USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 406 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 24 GLN : amide:sc= -0.0874 X(o=-0.28,f=-0.46) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -159:sc= -0.191 (180deg=-1.3) USER MOD Set 2.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 54 SER OG : rot 42:sc= -0.23 USER MOD Set 2.3: A 57 ASN : amide:sc= -0.439 K(o=-0.67,f=-3.3) USER MOD Single : A 1 LYS N :NH3+ 132:sc= 0.794 (180deg=-2.12!) USER MOD Single : A 1 LYS NZ :NH3+ 165:sc= 0.452 (180deg=0.171) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0522 USER MOD Single : A 9 LYS NZ :NH3+ -151:sc= 0.687 (180deg=0.268) USER MOD Single : A 14 SER OG : rot 180:sc= 0.14 USER MOD Single : A 18 ASN : amide:sc= 0.0462 K(o=0.046,f=-4.7!) USER MOD Single : A 19 ASN : amide:sc= -1.64! C(o=-1.6!,f=-12!) USER MOD Single : A 20 TYR OH : rot 0:sc= -0.428 USER MOD Single : A 23 ASN : amide:sc= -3.02! C(o=-3!,f=-5.6!) USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.358) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 100:sc= -0.759 USER MOD Single : A 34 HIS : no HD1:sc= -2.28 K(o=-2.3,f=-2.9!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 160:sc= 0 USER MOD Single : A 41 TYR OH : rot 175:sc= -2.51! USER MOD Single : A 48 ASN : amide:sc= -3.37! C(o=-3.4!,f=-12!) USER MOD Single : A 50 LYS NZ :NH3+ -142:sc= -0.222 (180deg=-1.55!) USER MOD Single : A 52 SER OG : rot -130:sc= -0.0697 USER MOD Single : A 56 THR OG1 : rot -49:sc= 0.59 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -3.216 11.139 -3.477 1.00 0.00 N ATOM 2 CA LYS A 1 -2.412 10.378 -4.478 1.00 0.00 C ATOM 3 C LYS A 1 -2.598 8.871 -4.277 1.00 0.00 C ATOM 4 O LYS A 1 -3.166 8.429 -3.298 1.00 0.00 O ATOM 5 CB LYS A 1 -0.959 10.775 -4.209 1.00 0.00 C ATOM 6 CG LYS A 1 -0.566 10.343 -2.796 1.00 0.00 C ATOM 7 CD LYS A 1 0.871 10.783 -2.508 1.00 0.00 C ATOM 8 CE LYS A 1 1.450 9.931 -1.376 1.00 0.00 C ATOM 9 NZ LYS A 1 1.978 10.913 -0.389 1.00 0.00 N ATOM 0 H1 LYS A 1 -2.622 11.872 -3.039 1.00 0.00 H new ATOM 0 H2 LYS A 1 -4.026 11.587 -3.951 1.00 0.00 H new ATOM 0 H3 LYS A 1 -3.561 10.489 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 1 -2.715 10.602 -5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -0.301 10.306 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -0.839 11.853 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -1.246 10.785 -2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -0.653 9.261 -2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 1 1.481 10.678 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 1 0.891 11.837 -2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 1 0.686 9.295 -0.930 1.00 0.00 H new ATOM 0 HE3 LYS A 1 2.239 9.274 -1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 2.157 10.433 0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 2.865 11.321 -0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 1.281 11.671 -0.247 1.00 0.00 H new ATOM 25 N ASP A 2 -2.118 8.080 -5.198 1.00 0.00 N ATOM 26 CA ASP A 2 -2.260 6.601 -5.063 1.00 0.00 C ATOM 27 C ASP A 2 -0.884 5.971 -4.829 1.00 0.00 C ATOM 28 O ASP A 2 0.132 6.534 -5.183 1.00 0.00 O ATOM 29 CB ASP A 2 -2.848 6.130 -6.397 1.00 0.00 C ATOM 30 CG ASP A 2 -3.925 7.113 -6.865 1.00 0.00 C ATOM 31 OD1 ASP A 2 -5.012 7.076 -6.314 1.00 0.00 O ATOM 32 OD2 ASP A 2 -3.642 7.887 -7.765 1.00 0.00 O ATOM 0 H ASP A 2 -1.633 8.394 -6.039 1.00 0.00 H new ATOM 0 HA ASP A 2 -2.894 6.318 -4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.060 6.056 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.276 5.134 -6.285 1.00 0.00 H new ATOM 37 N GLY A 3 -0.837 4.810 -4.232 1.00 0.00 N ATOM 38 CA GLY A 3 0.484 4.166 -3.980 1.00 0.00 C ATOM 39 C GLY A 3 0.325 3.015 -2.990 1.00 0.00 C ATOM 40 O GLY A 3 -0.761 2.526 -2.751 1.00 0.00 O ATOM 0 H GLY A 3 -1.649 4.284 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.902 3.796 -4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.186 4.901 -3.586 1.00 0.00 H new ATOM 44 N TYR A 4 1.409 2.584 -2.411 1.00 0.00 N ATOM 45 CA TYR A 4 1.347 1.466 -1.428 1.00 0.00 C ATOM 46 C TYR A 4 1.773 1.971 -0.048 1.00 0.00 C ATOM 47 O TYR A 4 2.855 2.499 0.107 1.00 0.00 O ATOM 48 CB TYR A 4 2.341 0.423 -1.941 1.00 0.00 C ATOM 49 CG TYR A 4 2.078 0.144 -3.402 1.00 0.00 C ATOM 50 CD1 TYR A 4 2.445 1.083 -4.374 1.00 0.00 C ATOM 51 CD2 TYR A 4 1.470 -1.057 -3.783 1.00 0.00 C ATOM 52 CE1 TYR A 4 2.202 0.821 -5.728 1.00 0.00 C ATOM 53 CE2 TYR A 4 1.227 -1.320 -5.136 1.00 0.00 C ATOM 54 CZ TYR A 4 1.593 -0.382 -6.109 1.00 0.00 C ATOM 55 OH TYR A 4 1.353 -0.642 -7.443 1.00 0.00 O ATOM 0 H TYR A 4 2.342 2.960 -2.577 1.00 0.00 H new ATOM 0 HA TYR A 4 0.343 1.053 -1.331 1.00 0.00 H new ATOM 0 HB2 TYR A 4 3.361 0.782 -1.807 1.00 0.00 H new ATOM 0 HB3 TYR A 4 2.249 -0.496 -1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 4 2.916 2.009 -4.079 1.00 0.00 H new ATOM 0 HD2 TYR A 4 1.188 -1.781 -3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 4 2.484 1.545 -6.478 1.00 0.00 H new ATOM 0 HE2 TYR A 4 0.757 -2.247 -5.430 1.00 0.00 H new ATOM 0 HH TYR A 4 0.926 -1.519 -7.534 1.00 0.00 H new ATOM 65 N PRO A 5 0.904 1.795 0.908 1.00 0.00 N ATOM 66 CA PRO A 5 1.194 2.249 2.290 1.00 0.00 C ATOM 67 C PRO A 5 2.263 1.368 2.942 1.00 0.00 C ATOM 68 O PRO A 5 2.277 0.165 2.780 1.00 0.00 O ATOM 69 CB PRO A 5 -0.145 2.098 3.005 1.00 0.00 C ATOM 70 CG PRO A 5 -0.881 1.054 2.227 1.00 0.00 C ATOM 71 CD PRO A 5 -0.415 1.162 0.799 1.00 0.00 C ATOM 0 HA PRO A 5 1.583 3.266 2.329 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.007 1.793 4.042 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.694 3.040 3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.677 0.060 2.626 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.958 1.210 2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.351 0.183 0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.099 1.763 0.199 1.00 0.00 H new ATOM 79 N VAL A 6 3.152 1.966 3.687 1.00 0.00 N ATOM 80 CA VAL A 6 4.222 1.175 4.364 1.00 0.00 C ATOM 81 C VAL A 6 3.939 1.099 5.867 1.00 0.00 C ATOM 82 O VAL A 6 3.073 1.780 6.379 1.00 0.00 O ATOM 83 CB VAL A 6 5.519 1.941 4.097 1.00 0.00 C ATOM 84 CG1 VAL A 6 5.911 1.786 2.625 1.00 0.00 C ATOM 85 CG2 VAL A 6 5.313 3.424 4.416 1.00 0.00 C ATOM 0 H VAL A 6 3.185 2.971 3.857 1.00 0.00 H new ATOM 0 HA VAL A 6 4.278 0.151 3.995 1.00 0.00 H new ATOM 0 HB VAL A 6 6.312 1.541 4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.835 2.332 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.060 0.730 2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.118 2.185 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.238 3.969 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.519 3.825 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.035 3.536 5.464 1.00 0.00 H new ATOM 95 N ASP A 7 4.658 0.274 6.579 1.00 0.00 N ATOM 96 CA ASP A 7 4.418 0.156 8.048 1.00 0.00 C ATOM 97 C ASP A 7 5.423 1.007 8.828 1.00 0.00 C ATOM 98 O ASP A 7 6.268 1.669 8.258 1.00 0.00 O ATOM 99 CB ASP A 7 4.613 -1.326 8.369 1.00 0.00 C ATOM 100 CG ASP A 7 6.010 -1.765 7.928 1.00 0.00 C ATOM 101 OD1 ASP A 7 6.792 -0.902 7.562 1.00 0.00 O ATOM 102 OD2 ASP A 7 6.276 -2.955 7.964 1.00 0.00 O ATOM 0 H ASP A 7 5.399 -0.322 6.210 1.00 0.00 H new ATOM 0 HA ASP A 7 3.424 0.508 8.326 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.487 -1.497 9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.856 -1.922 7.860 1.00 0.00 H new ATOM 107 N SER A 8 5.336 0.993 10.131 1.00 0.00 N ATOM 108 CA SER A 8 6.282 1.799 10.954 1.00 0.00 C ATOM 109 C SER A 8 7.727 1.494 10.553 1.00 0.00 C ATOM 110 O SER A 8 8.629 2.267 10.811 1.00 0.00 O ATOM 111 CB SER A 8 6.023 1.364 12.396 1.00 0.00 C ATOM 112 OG SER A 8 5.705 -0.022 12.418 1.00 0.00 O ATOM 0 H SER A 8 4.649 0.457 10.661 1.00 0.00 H new ATOM 0 HA SER A 8 6.135 2.871 10.819 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.903 1.557 13.010 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.204 1.944 12.822 1.00 0.00 H new ATOM 0 HG SER A 8 5.540 -0.305 13.342 1.00 0.00 H new ATOM 118 N LYS A 9 7.958 0.374 9.925 1.00 0.00 N ATOM 119 CA LYS A 9 9.348 0.029 9.511 1.00 0.00 C ATOM 120 C LYS A 9 9.713 0.769 8.221 1.00 0.00 C ATOM 121 O LYS A 9 10.825 1.227 8.053 1.00 0.00 O ATOM 122 CB LYS A 9 9.332 -1.481 9.277 1.00 0.00 C ATOM 123 CG LYS A 9 10.670 -1.918 8.674 1.00 0.00 C ATOM 124 CD LYS A 9 11.053 -3.295 9.219 1.00 0.00 C ATOM 125 CE LYS A 9 11.316 -4.251 8.053 1.00 0.00 C ATOM 126 NZ LYS A 9 11.791 -5.512 8.689 1.00 0.00 N ATOM 0 H LYS A 9 7.247 -0.316 9.681 1.00 0.00 H new ATOM 0 HA LYS A 9 10.085 0.315 10.262 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.157 -2.004 10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.515 -1.747 8.607 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.596 -1.954 7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.445 -1.191 8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.941 -3.216 9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.253 -3.684 9.849 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.411 -4.420 7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.064 -3.846 7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.430 -6.011 8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.300 -5.287 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.975 -6.119 8.907 1.00 0.00 H new ATOM 140 N GLY A 10 8.787 0.889 7.308 1.00 0.00 N ATOM 141 CA GLY A 10 9.090 1.599 6.034 1.00 0.00 C ATOM 142 C GLY A 10 9.031 0.608 4.871 1.00 0.00 C ATOM 143 O GLY A 10 9.622 0.821 3.830 1.00 0.00 O ATOM 0 H GLY A 10 7.837 0.527 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.374 2.405 5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.078 2.056 6.086 1.00 0.00 H new ATOM 147 N CYS A 11 8.321 -0.473 5.037 1.00 0.00 N ATOM 148 CA CYS A 11 8.223 -1.477 3.939 1.00 0.00 C ATOM 149 C CYS A 11 6.767 -1.625 3.491 1.00 0.00 C ATOM 150 O CYS A 11 5.852 -1.561 4.289 1.00 0.00 O ATOM 151 CB CYS A 11 8.734 -2.781 4.550 1.00 0.00 C ATOM 152 SG CYS A 11 10.437 -2.554 5.120 1.00 0.00 S ATOM 0 H CYS A 11 7.804 -0.705 5.885 1.00 0.00 H new ATOM 0 HA CYS A 11 8.798 -1.188 3.059 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.097 -3.079 5.383 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.690 -3.582 3.813 1.00 0.00 H new ATOM 157 N LYS A 12 6.545 -1.819 2.219 1.00 0.00 N ATOM 158 CA LYS A 12 5.148 -1.971 1.721 1.00 0.00 C ATOM 159 C LYS A 12 4.362 -2.911 2.637 1.00 0.00 C ATOM 160 O LYS A 12 4.888 -3.880 3.148 1.00 0.00 O ATOM 161 CB LYS A 12 5.288 -2.579 0.325 1.00 0.00 C ATOM 162 CG LYS A 12 5.472 -1.463 -0.706 1.00 0.00 C ATOM 163 CD LYS A 12 6.740 -1.727 -1.522 1.00 0.00 C ATOM 164 CE LYS A 12 6.581 -3.033 -2.310 1.00 0.00 C ATOM 165 NZ LYS A 12 6.130 -2.622 -3.673 1.00 0.00 N ATOM 0 H LYS A 12 7.270 -1.879 1.504 1.00 0.00 H new ATOM 0 HA LYS A 12 4.611 -1.022 1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.140 -3.258 0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.403 -3.168 0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.605 -1.416 -1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.544 -0.498 -0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.924 -0.898 -2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.604 -1.792 -0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.522 -3.581 -2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.852 -3.691 -1.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.001 -3.467 -4.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.228 -2.109 -3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.846 -2.003 -4.104 1.00 0.00 H new ATOM 179 N LEU A 13 3.106 -2.631 2.852 1.00 0.00 N ATOM 180 CA LEU A 13 2.287 -3.506 3.737 1.00 0.00 C ATOM 181 C LEU A 13 1.815 -4.748 2.976 1.00 0.00 C ATOM 182 O LEU A 13 0.802 -4.732 2.305 1.00 0.00 O ATOM 183 CB LEU A 13 1.096 -2.642 4.146 1.00 0.00 C ATOM 184 CG LEU A 13 0.462 -3.218 5.411 1.00 0.00 C ATOM 185 CD1 LEU A 13 1.399 -2.993 6.599 1.00 0.00 C ATOM 186 CD2 LEU A 13 -0.872 -2.518 5.673 1.00 0.00 C ATOM 0 H LEU A 13 2.611 -1.833 2.453 1.00 0.00 H new ATOM 0 HA LEU A 13 2.851 -3.864 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.420 -1.617 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.362 -2.610 3.341 1.00 0.00 H new ATOM 0 HG LEU A 13 0.293 -4.287 5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.947 -3.404 7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.351 -3.490 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.568 -1.924 6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.327 -2.927 6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.702 -1.449 5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.539 -2.678 4.826 1.00 0.00 H new ATOM 198 N SER A 14 2.543 -5.825 3.079 1.00 0.00 N ATOM 199 CA SER A 14 2.142 -7.073 2.366 1.00 0.00 C ATOM 200 C SER A 14 0.638 -7.322 2.521 1.00 0.00 C ATOM 201 O SER A 14 0.073 -7.137 3.581 1.00 0.00 O ATOM 202 CB SER A 14 2.937 -8.187 3.046 1.00 0.00 C ATOM 203 OG SER A 14 4.202 -7.682 3.454 1.00 0.00 O ATOM 0 H SER A 14 3.400 -5.896 3.627 1.00 0.00 H new ATOM 0 HA SER A 14 2.343 -7.015 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.389 -8.566 3.909 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.071 -9.024 2.361 1.00 0.00 H new ATOM 0 HG SER A 14 4.713 -8.394 3.892 1.00 0.00 H new ATOM 209 N CYS A 15 -0.011 -7.751 1.473 1.00 0.00 N ATOM 210 CA CYS A 15 -1.474 -8.024 1.561 1.00 0.00 C ATOM 211 C CYS A 15 -1.748 -9.493 1.227 1.00 0.00 C ATOM 212 O CYS A 15 -1.141 -10.060 0.341 1.00 0.00 O ATOM 213 CB CYS A 15 -2.116 -7.109 0.518 1.00 0.00 C ATOM 214 SG CYS A 15 -1.347 -7.400 -1.095 1.00 0.00 S ATOM 0 H CYS A 15 0.409 -7.924 0.560 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.872 -7.839 2.559 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.188 -7.300 0.462 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.993 -6.066 0.809 1.00 0.00 H new ATOM 219 N VAL A 16 -2.656 -10.116 1.928 1.00 0.00 N ATOM 220 CA VAL A 16 -2.957 -11.548 1.643 1.00 0.00 C ATOM 221 C VAL A 16 -4.378 -11.691 1.088 1.00 0.00 C ATOM 222 O VAL A 16 -4.793 -12.760 0.685 1.00 0.00 O ATOM 223 CB VAL A 16 -2.822 -12.256 2.994 1.00 0.00 C ATOM 224 CG1 VAL A 16 -4.071 -12.004 3.844 1.00 0.00 C ATOM 225 CG2 VAL A 16 -2.657 -13.759 2.762 1.00 0.00 C ATOM 0 H VAL A 16 -3.200 -9.698 2.682 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.287 -11.973 0.896 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.950 -11.866 3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.967 -12.511 4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.188 -10.933 4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.949 -12.388 3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.561 -14.267 3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.530 -14.144 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.763 -13.939 2.165 1.00 0.00 H new ATOM 235 N ALA A 17 -5.124 -10.621 1.065 1.00 0.00 N ATOM 236 CA ALA A 17 -6.518 -10.693 0.537 1.00 0.00 C ATOM 237 C ALA A 17 -6.944 -9.330 -0.015 1.00 0.00 C ATOM 238 O ALA A 17 -6.251 -8.344 0.138 1.00 0.00 O ATOM 239 CB ALA A 17 -7.377 -11.080 1.741 1.00 0.00 C ATOM 0 H ALA A 17 -4.830 -9.700 1.389 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.616 -11.409 -0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.420 -11.154 1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.044 -12.042 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.279 -10.321 2.517 1.00 0.00 H new ATOM 245 N ASN A 18 -8.078 -9.268 -0.659 1.00 0.00 N ATOM 246 CA ASN A 18 -8.545 -7.968 -1.223 1.00 0.00 C ATOM 247 C ASN A 18 -9.343 -7.188 -0.173 1.00 0.00 C ATOM 248 O ASN A 18 -9.043 -6.050 0.130 1.00 0.00 O ATOM 249 CB ASN A 18 -9.437 -8.347 -2.407 1.00 0.00 C ATOM 250 CG ASN A 18 -8.589 -8.448 -3.677 1.00 0.00 C ATOM 251 OD1 ASN A 18 -7.497 -7.919 -3.737 1.00 0.00 O ATOM 252 ND2 ASN A 18 -9.050 -9.111 -4.702 1.00 0.00 N ATOM 0 H ASN A 18 -8.701 -10.060 -0.819 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.716 -7.329 -1.526 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.933 -9.298 -2.212 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.220 -7.600 -2.539 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.493 -9.185 -5.554 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.967 -9.555 -4.652 1.00 0.00 H new ATOM 259 N ASN A 19 -10.358 -7.791 0.383 1.00 0.00 N ATOM 260 CA ASN A 19 -11.176 -7.084 1.412 1.00 0.00 C ATOM 261 C ASN A 19 -10.266 -6.427 2.456 1.00 0.00 C ATOM 262 O ASN A 19 -10.495 -5.312 2.879 1.00 0.00 O ATOM 263 CB ASN A 19 -12.029 -8.176 2.055 1.00 0.00 C ATOM 264 CG ASN A 19 -11.117 -9.231 2.684 1.00 0.00 C ATOM 265 OD1 ASN A 19 -10.000 -9.425 2.246 1.00 0.00 O ATOM 266 ND2 ASN A 19 -11.549 -9.927 3.700 1.00 0.00 N ATOM 0 H ASN A 19 -10.657 -8.743 0.170 1.00 0.00 H new ATOM 0 HA ASN A 19 -11.786 -6.290 0.981 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -12.681 -7.744 2.814 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.674 -8.637 1.307 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.949 -10.633 4.126 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.486 -9.764 4.068 1.00 0.00 H new ATOM 273 N TYR A 20 -9.234 -7.110 2.872 1.00 0.00 N ATOM 274 CA TYR A 20 -8.310 -6.525 3.885 1.00 0.00 C ATOM 275 C TYR A 20 -7.826 -5.147 3.419 1.00 0.00 C ATOM 276 O TYR A 20 -8.103 -4.140 4.040 1.00 0.00 O ATOM 277 CB TYR A 20 -7.145 -7.517 3.971 1.00 0.00 C ATOM 278 CG TYR A 20 -5.915 -6.834 4.526 1.00 0.00 C ATOM 279 CD1 TYR A 20 -5.973 -6.177 5.761 1.00 0.00 C ATOM 280 CD2 TYR A 20 -4.716 -6.861 3.804 1.00 0.00 C ATOM 281 CE1 TYR A 20 -4.832 -5.546 6.273 1.00 0.00 C ATOM 282 CE2 TYR A 20 -3.575 -6.231 4.315 1.00 0.00 C ATOM 283 CZ TYR A 20 -3.633 -5.574 5.550 1.00 0.00 C ATOM 284 OH TYR A 20 -2.508 -4.953 6.054 1.00 0.00 O ATOM 0 H TYR A 20 -8.991 -8.048 2.554 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.787 -6.378 4.854 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.421 -8.358 4.607 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -6.930 -7.922 2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.897 -6.157 6.319 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.671 -7.368 2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.877 -5.038 7.225 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.651 -6.252 3.757 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.720 -4.544 6.919 1.00 0.00 H new ATOM 294 N CYS A 21 -7.106 -5.093 2.331 1.00 0.00 N ATOM 295 CA CYS A 21 -6.613 -3.776 1.836 1.00 0.00 C ATOM 296 C CYS A 21 -7.783 -2.801 1.693 1.00 0.00 C ATOM 297 O CYS A 21 -7.698 -1.653 2.084 1.00 0.00 O ATOM 298 CB CYS A 21 -5.985 -4.068 0.474 1.00 0.00 C ATOM 299 SG CYS A 21 -4.314 -4.723 0.709 1.00 0.00 S ATOM 0 H CYS A 21 -6.839 -5.899 1.766 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.897 -3.319 2.519 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.595 -4.786 -0.073 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.950 -3.158 -0.125 1.00 0.00 H new ATOM 304 N ASP A 22 -8.877 -3.247 1.139 1.00 0.00 N ATOM 305 CA ASP A 22 -10.050 -2.341 0.979 1.00 0.00 C ATOM 306 C ASP A 22 -10.301 -1.580 2.282 1.00 0.00 C ATOM 307 O ASP A 22 -10.368 -0.367 2.300 1.00 0.00 O ATOM 308 CB ASP A 22 -11.228 -3.262 0.660 1.00 0.00 C ATOM 309 CG ASP A 22 -12.347 -2.450 0.006 1.00 0.00 C ATOM 310 OD1 ASP A 22 -13.172 -1.922 0.734 1.00 0.00 O ATOM 311 OD2 ASP A 22 -12.359 -2.368 -1.211 1.00 0.00 O ATOM 0 H ASP A 22 -9.010 -4.197 0.791 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.896 -1.598 0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.907 -4.062 -0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.592 -3.734 1.573 1.00 0.00 H new ATOM 316 N ASN A 23 -10.434 -2.282 3.374 1.00 0.00 N ATOM 317 CA ASN A 23 -10.674 -1.595 4.675 1.00 0.00 C ATOM 318 C ASN A 23 -9.441 -0.775 5.067 1.00 0.00 C ATOM 319 O ASN A 23 -9.527 0.413 5.309 1.00 0.00 O ATOM 320 CB ASN A 23 -10.918 -2.723 5.679 1.00 0.00 C ATOM 321 CG ASN A 23 -10.740 -2.195 7.104 1.00 0.00 C ATOM 322 OD1 ASN A 23 -9.631 -1.976 7.549 1.00 0.00 O ATOM 323 ND2 ASN A 23 -11.794 -1.978 7.843 1.00 0.00 N ATOM 0 H ASN A 23 -10.387 -3.300 3.422 1.00 0.00 H new ATOM 0 HA ASN A 23 -11.515 -0.903 4.634 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.924 -3.124 5.553 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.223 -3.542 5.495 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.686 -1.625 8.794 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.725 -2.162 7.470 1.00 0.00 H new ATOM 330 N GLN A 24 -8.293 -1.397 5.127 1.00 0.00 N ATOM 331 CA GLN A 24 -7.063 -0.641 5.498 1.00 0.00 C ATOM 332 C GLN A 24 -6.993 0.656 4.689 1.00 0.00 C ATOM 333 O GLN A 24 -6.976 1.739 5.237 1.00 0.00 O ATOM 334 CB GLN A 24 -5.898 -1.565 5.139 1.00 0.00 C ATOM 335 CG GLN A 24 -4.594 -0.972 5.676 1.00 0.00 C ATOM 336 CD GLN A 24 -4.516 -1.189 7.188 1.00 0.00 C ATOM 337 OE1 GLN A 24 -4.695 -2.292 7.665 1.00 0.00 O ATOM 338 NE2 GLN A 24 -4.254 -0.176 7.968 1.00 0.00 N ATOM 0 H GLN A 24 -8.155 -2.389 4.936 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.044 -0.366 6.553 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.061 -2.556 5.563 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.836 -1.687 4.058 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.741 -1.441 5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.546 0.093 5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.104 0.750 7.568 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.200 -0.310 8.978 1.00 0.00 H new ATOM 347 N CYS A 25 -6.967 0.553 3.389 1.00 0.00 N ATOM 348 CA CYS A 25 -6.915 1.782 2.548 1.00 0.00 C ATOM 349 C CYS A 25 -7.980 2.771 3.024 1.00 0.00 C ATOM 350 O CYS A 25 -7.704 3.927 3.281 1.00 0.00 O ATOM 351 CB CYS A 25 -7.221 1.304 1.127 1.00 0.00 C ATOM 352 SG CYS A 25 -5.869 0.256 0.540 1.00 0.00 S ATOM 0 H CYS A 25 -6.979 -0.327 2.873 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.952 2.289 2.603 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.159 0.748 1.113 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.347 2.159 0.463 1.00 0.00 H new ATOM 357 N LYS A 26 -9.197 2.319 3.151 1.00 0.00 N ATOM 358 CA LYS A 26 -10.284 3.223 3.621 1.00 0.00 C ATOM 359 C LYS A 26 -9.828 3.977 4.871 1.00 0.00 C ATOM 360 O LYS A 26 -9.982 5.177 4.976 1.00 0.00 O ATOM 361 CB LYS A 26 -11.452 2.294 3.949 1.00 0.00 C ATOM 362 CG LYS A 26 -12.668 3.125 4.361 1.00 0.00 C ATOM 363 CD LYS A 26 -13.489 2.350 5.391 1.00 0.00 C ATOM 364 CE LYS A 26 -14.961 2.753 5.273 1.00 0.00 C ATOM 365 NZ LYS A 26 -14.999 4.205 5.615 1.00 0.00 N ATOM 0 H LYS A 26 -9.486 1.362 2.949 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.557 3.972 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.696 1.679 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.174 1.614 4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.345 4.078 4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.280 3.351 3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.380 1.278 5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.123 2.558 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.338 2.576 4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.584 2.172 5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.959 4.465 5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.328 4.398 6.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.737 4.766 4.779 1.00 0.00 H new ATOM 379 N MET A 27 -9.263 3.281 5.819 1.00 0.00 N ATOM 380 CA MET A 27 -8.792 3.961 7.058 1.00 0.00 C ATOM 381 C MET A 27 -7.791 5.059 6.696 1.00 0.00 C ATOM 382 O MET A 27 -7.714 6.082 7.345 1.00 0.00 O ATOM 383 CB MET A 27 -8.118 2.864 7.883 1.00 0.00 C ATOM 384 CG MET A 27 -9.187 1.996 8.548 1.00 0.00 C ATOM 385 SD MET A 27 -8.584 0.294 8.676 1.00 0.00 S ATOM 386 CE MET A 27 -8.124 0.343 10.426 1.00 0.00 C ATOM 0 H MET A 27 -9.107 2.273 5.789 1.00 0.00 H new ATOM 0 HA MET A 27 -9.604 4.436 7.609 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.483 2.251 7.243 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.472 3.309 8.640 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.423 2.385 9.538 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.108 2.024 7.966 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.720 -0.625 10.723 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.370 1.115 10.583 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.005 0.569 11.027 1.00 0.00 H new ATOM 396 N LYS A 28 -7.029 4.855 5.656 1.00 0.00 N ATOM 397 CA LYS A 28 -6.039 5.887 5.241 1.00 0.00 C ATOM 398 C LYS A 28 -6.700 6.877 4.279 1.00 0.00 C ATOM 399 O LYS A 28 -6.039 7.639 3.602 1.00 0.00 O ATOM 400 CB LYS A 28 -4.929 5.109 4.534 1.00 0.00 C ATOM 401 CG LYS A 28 -4.246 4.170 5.531 1.00 0.00 C ATOM 402 CD LYS A 28 -2.870 4.728 5.901 1.00 0.00 C ATOM 403 CE LYS A 28 -2.114 3.699 6.745 1.00 0.00 C ATOM 404 NZ LYS A 28 -3.034 3.377 7.870 1.00 0.00 N ATOM 0 H LYS A 28 -7.050 4.017 5.076 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.655 6.462 6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.344 4.536 3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.200 5.800 4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.860 4.065 6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.142 3.176 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.305 4.960 4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.980 5.659 6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.875 2.809 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.170 4.104 7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.489 2.978 8.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.515 4.244 8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.742 2.684 7.552 1.00 0.00 H new ATOM 418 N LYS A 29 -8.004 6.867 4.217 1.00 0.00 N ATOM 419 CA LYS A 29 -8.720 7.800 3.302 1.00 0.00 C ATOM 420 C LYS A 29 -8.429 7.445 1.841 1.00 0.00 C ATOM 421 O LYS A 29 -8.063 8.291 1.050 1.00 0.00 O ATOM 422 CB LYS A 29 -8.170 9.185 3.636 1.00 0.00 C ATOM 423 CG LYS A 29 -9.239 10.235 3.343 1.00 0.00 C ATOM 424 CD LYS A 29 -9.385 10.400 1.830 1.00 0.00 C ATOM 425 CE LYS A 29 -10.361 11.540 1.530 1.00 0.00 C ATOM 426 NZ LYS A 29 -11.639 10.865 1.171 1.00 0.00 N ATOM 0 H LYS A 29 -8.606 6.250 4.763 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.801 7.749 3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.877 9.230 4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.275 9.386 3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.191 9.934 3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.965 11.186 3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.414 10.611 1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.746 9.472 1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.487 12.190 2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.000 12.164 0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.360 11.581 0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.489 10.258 0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.961 10.284 1.971 1.00 0.00 H new ATOM 440 N ALA A 30 -8.592 6.203 1.475 1.00 0.00 N ATOM 441 CA ALA A 30 -8.327 5.804 0.063 1.00 0.00 C ATOM 442 C ALA A 30 -9.639 5.442 -0.639 1.00 0.00 C ATOM 443 O ALA A 30 -10.697 5.457 -0.043 1.00 0.00 O ATOM 444 CB ALA A 30 -7.415 4.580 0.162 1.00 0.00 C ATOM 0 H ALA A 30 -8.896 5.449 2.091 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.869 6.607 -0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.173 4.224 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.497 4.852 0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.925 3.790 0.714 1.00 0.00 H new ATOM 450 N SER A 31 -9.578 5.119 -1.902 1.00 0.00 N ATOM 451 CA SER A 31 -10.823 4.755 -2.641 1.00 0.00 C ATOM 452 C SER A 31 -10.650 3.394 -3.320 1.00 0.00 C ATOM 453 O SER A 31 -11.552 2.580 -3.340 1.00 0.00 O ATOM 454 CB SER A 31 -11.010 5.857 -3.687 1.00 0.00 C ATOM 455 OG SER A 31 -9.993 6.839 -3.532 1.00 0.00 O ATOM 0 H SER A 31 -8.721 5.091 -2.455 1.00 0.00 H new ATOM 0 HA SER A 31 -11.686 4.677 -1.980 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.969 5.431 -4.690 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.993 6.316 -3.575 1.00 0.00 H new ATOM 0 HG SER A 31 -9.287 6.686 -4.194 1.00 0.00 H new ATOM 461 N GLY A 32 -9.495 3.138 -3.869 1.00 0.00 N ATOM 462 CA GLY A 32 -9.260 1.829 -4.539 1.00 0.00 C ATOM 463 C GLY A 32 -8.258 1.018 -3.716 1.00 0.00 C ATOM 464 O GLY A 32 -7.076 1.002 -3.998 1.00 0.00 O ATOM 0 H GLY A 32 -8.703 3.780 -3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.198 1.282 -4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.878 1.986 -5.548 1.00 0.00 H new ATOM 468 N GLY A 33 -8.720 0.350 -2.695 1.00 0.00 N ATOM 469 CA GLY A 33 -7.793 -0.452 -1.848 1.00 0.00 C ATOM 470 C GLY A 33 -7.879 -1.929 -2.238 1.00 0.00 C ATOM 471 O GLY A 33 -8.919 -2.549 -2.137 1.00 0.00 O ATOM 0 H GLY A 33 -9.699 0.325 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.771 -0.093 -1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.049 -0.329 -0.796 1.00 0.00 H new ATOM 475 N HIS A 34 -6.790 -2.498 -2.680 1.00 0.00 N ATOM 476 CA HIS A 34 -6.804 -3.937 -3.071 1.00 0.00 C ATOM 477 C HIS A 34 -5.390 -4.523 -2.969 1.00 0.00 C ATOM 478 O HIS A 34 -4.415 -3.804 -2.877 1.00 0.00 O ATOM 479 CB HIS A 34 -7.307 -3.953 -4.520 1.00 0.00 C ATOM 480 CG HIS A 34 -6.185 -3.611 -5.464 1.00 0.00 C ATOM 481 ND1 HIS A 34 -5.500 -2.408 -5.397 1.00 0.00 N ATOM 482 CD2 HIS A 34 -5.618 -4.308 -6.503 1.00 0.00 C ATOM 483 CE1 HIS A 34 -4.568 -2.417 -6.369 1.00 0.00 C ATOM 484 NE2 HIS A 34 -4.598 -3.553 -7.073 1.00 0.00 N ATOM 0 H HIS A 34 -5.891 -2.028 -2.787 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.439 -4.540 -2.422 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.709 -4.937 -4.762 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.122 -3.238 -4.638 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.919 -5.293 -6.828 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.880 -1.606 -6.557 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.001 -3.811 -7.859 1.00 0.00 H new ATOM 492 N CYS A 35 -5.273 -5.823 -2.978 1.00 0.00 N ATOM 493 CA CYS A 35 -3.924 -6.451 -2.876 1.00 0.00 C ATOM 494 C CYS A 35 -3.341 -6.701 -4.271 1.00 0.00 C ATOM 495 O CYS A 35 -3.983 -7.272 -5.130 1.00 0.00 O ATOM 496 CB CYS A 35 -4.162 -7.777 -2.151 1.00 0.00 C ATOM 497 SG CYS A 35 -2.601 -8.686 -2.022 1.00 0.00 S ATOM 0 H CYS A 35 -6.052 -6.477 -3.051 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.214 -5.815 -2.348 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.570 -7.592 -1.157 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.898 -8.372 -2.692 1.00 0.00 H new ATOM 502 N TYR A 36 -2.125 -6.280 -4.499 1.00 0.00 N ATOM 503 CA TYR A 36 -1.497 -6.498 -5.835 1.00 0.00 C ATOM 504 C TYR A 36 0.012 -6.707 -5.680 1.00 0.00 C ATOM 505 O TYR A 36 0.637 -6.156 -4.795 1.00 0.00 O ATOM 506 CB TYR A 36 -1.785 -5.224 -6.631 1.00 0.00 C ATOM 507 CG TYR A 36 -1.655 -5.513 -8.107 1.00 0.00 C ATOM 508 CD1 TYR A 36 -2.266 -6.649 -8.653 1.00 0.00 C ATOM 509 CD2 TYR A 36 -0.924 -4.647 -8.930 1.00 0.00 C ATOM 510 CE1 TYR A 36 -2.146 -6.918 -10.022 1.00 0.00 C ATOM 511 CE2 TYR A 36 -0.804 -4.917 -10.299 1.00 0.00 C ATOM 512 CZ TYR A 36 -1.415 -6.052 -10.844 1.00 0.00 C ATOM 513 OH TYR A 36 -1.299 -6.318 -12.193 1.00 0.00 O ATOM 0 H TYR A 36 -1.540 -5.795 -3.819 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.892 -7.382 -6.335 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.788 -4.862 -6.407 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.090 -4.436 -6.341 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.829 -7.317 -8.018 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.453 -3.771 -8.509 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.617 -7.793 -10.444 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.240 -4.250 -10.934 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.761 -5.619 -12.619 1.00 0.00 H new ATOM 523 N ALA A 37 0.603 -7.500 -6.532 1.00 0.00 N ATOM 524 CA ALA A 37 2.071 -7.743 -6.429 1.00 0.00 C ATOM 525 C ALA A 37 2.438 -8.179 -5.006 1.00 0.00 C ATOM 526 O ALA A 37 3.536 -7.948 -4.540 1.00 0.00 O ATOM 527 CB ALA A 37 2.719 -6.398 -6.762 1.00 0.00 C ATOM 0 H ALA A 37 0.134 -7.990 -7.294 1.00 0.00 H new ATOM 0 HA ALA A 37 2.406 -8.535 -7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.803 -6.493 -6.708 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.431 -6.095 -7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.385 -5.646 -6.047 1.00 0.00 H new ATOM 533 N MET A 38 1.528 -8.811 -4.313 1.00 0.00 N ATOM 534 CA MET A 38 1.822 -9.265 -2.921 1.00 0.00 C ATOM 535 C MET A 38 1.928 -8.064 -1.977 1.00 0.00 C ATOM 536 O MET A 38 2.247 -8.205 -0.813 1.00 0.00 O ATOM 537 CB MET A 38 3.164 -9.997 -3.009 1.00 0.00 C ATOM 538 CG MET A 38 3.017 -11.402 -2.423 1.00 0.00 C ATOM 539 SD MET A 38 4.588 -12.290 -2.574 1.00 0.00 S ATOM 540 CE MET A 38 3.906 -13.966 -2.533 1.00 0.00 C ATOM 0 H MET A 38 0.592 -9.033 -4.651 1.00 0.00 H new ATOM 0 HA MET A 38 1.034 -9.907 -2.528 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.491 -10.057 -4.047 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.929 -9.443 -2.465 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.721 -11.341 -1.376 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.229 -11.944 -2.946 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.716 -14.691 -2.614 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.374 -14.120 -1.594 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.216 -14.099 -3.366 1.00 0.00 H new ATOM 550 N SER A 39 1.665 -6.883 -2.465 1.00 0.00 N ATOM 551 CA SER A 39 1.756 -5.680 -1.588 1.00 0.00 C ATOM 552 C SER A 39 0.414 -4.942 -1.552 1.00 0.00 C ATOM 553 O SER A 39 -0.222 -4.743 -2.567 1.00 0.00 O ATOM 554 CB SER A 39 2.831 -4.805 -2.232 1.00 0.00 C ATOM 555 OG SER A 39 4.028 -5.559 -2.374 1.00 0.00 O ATOM 0 H SER A 39 1.392 -6.698 -3.430 1.00 0.00 H new ATOM 0 HA SER A 39 2.000 -5.939 -0.558 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.493 -4.451 -3.206 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.014 -3.923 -1.618 1.00 0.00 H new ATOM 0 HG SER A 39 4.600 -5.141 -3.051 1.00 0.00 H new ATOM 561 N CYS A 40 -0.019 -4.533 -0.390 1.00 0.00 N ATOM 562 CA CYS A 40 -1.318 -3.806 -0.294 1.00 0.00 C ATOM 563 C CYS A 40 -1.216 -2.459 -1.013 1.00 0.00 C ATOM 564 O CYS A 40 -0.210 -1.782 -0.941 1.00 0.00 O ATOM 565 CB CYS A 40 -1.547 -3.598 1.203 1.00 0.00 C ATOM 566 SG CYS A 40 -3.282 -3.174 1.494 1.00 0.00 S ATOM 0 H CYS A 40 0.469 -4.670 0.495 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.137 -4.356 -0.757 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.286 -4.503 1.751 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.900 -2.803 1.574 1.00 0.00 H new ATOM 571 N TYR A 41 -2.246 -2.066 -1.710 1.00 0.00 N ATOM 572 CA TYR A 41 -2.194 -0.763 -2.432 1.00 0.00 C ATOM 573 C TYR A 41 -3.544 -0.048 -2.355 1.00 0.00 C ATOM 574 O TYR A 41 -4.590 -0.667 -2.352 1.00 0.00 O ATOM 575 CB TYR A 41 -1.866 -1.128 -3.879 1.00 0.00 C ATOM 576 CG TYR A 41 -2.006 0.096 -4.749 1.00 0.00 C ATOM 577 CD1 TYR A 41 -3.251 0.426 -5.298 1.00 0.00 C ATOM 578 CD2 TYR A 41 -0.892 0.902 -5.006 1.00 0.00 C ATOM 579 CE1 TYR A 41 -3.381 1.563 -6.105 1.00 0.00 C ATOM 580 CE2 TYR A 41 -1.021 2.039 -5.812 1.00 0.00 C ATOM 581 CZ TYR A 41 -2.265 2.369 -6.362 1.00 0.00 C ATOM 582 OH TYR A 41 -2.391 3.487 -7.159 1.00 0.00 O ATOM 0 H TYR A 41 -3.117 -2.587 -1.811 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.457 -0.086 -2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.851 -1.521 -3.945 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.536 -1.914 -4.228 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.111 -0.196 -5.099 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.068 0.647 -4.582 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.341 1.818 -6.529 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.161 2.662 -6.009 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.543 3.978 -7.170 1.00 0.00 H new ATOM 592 N CYS A 42 -3.525 1.256 -2.298 1.00 0.00 N ATOM 593 CA CYS A 42 -4.802 2.021 -2.228 1.00 0.00 C ATOM 594 C CYS A 42 -4.843 3.065 -3.345 1.00 0.00 C ATOM 595 O CYS A 42 -3.822 3.555 -3.786 1.00 0.00 O ATOM 596 CB CYS A 42 -4.785 2.705 -0.859 1.00 0.00 C ATOM 597 SG CYS A 42 -4.295 1.513 0.412 1.00 0.00 S ATOM 0 H CYS A 42 -2.679 1.825 -2.297 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.676 1.381 -2.350 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.091 3.545 -0.870 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.771 3.109 -0.631 1.00 0.00 H new ATOM 602 N GLU A 43 -6.012 3.410 -3.806 1.00 0.00 N ATOM 603 CA GLU A 43 -6.109 4.424 -4.892 1.00 0.00 C ATOM 604 C GLU A 43 -6.892 5.645 -4.405 1.00 0.00 C ATOM 605 O GLU A 43 -8.107 5.647 -4.380 1.00 0.00 O ATOM 606 CB GLU A 43 -6.854 3.722 -6.027 1.00 0.00 C ATOM 607 CG GLU A 43 -6.437 4.333 -7.365 1.00 0.00 C ATOM 608 CD GLU A 43 -6.823 3.385 -8.502 1.00 0.00 C ATOM 609 OE1 GLU A 43 -7.918 2.849 -8.453 1.00 0.00 O ATOM 610 OE2 GLU A 43 -6.018 3.211 -9.402 1.00 0.00 O ATOM 0 H GLU A 43 -6.902 3.035 -3.479 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.131 4.783 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.631 2.655 -6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.930 3.824 -5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.922 5.299 -7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.362 4.512 -7.376 1.00 0.00 H new ATOM 617 N GLY A 44 -6.205 6.685 -4.019 1.00 0.00 N ATOM 618 CA GLY A 44 -6.910 7.906 -3.536 1.00 0.00 C ATOM 619 C GLY A 44 -6.398 8.288 -2.144 1.00 0.00 C ATOM 620 O GLY A 44 -7.079 8.949 -1.386 1.00 0.00 O ATOM 0 H GLY A 44 -5.187 6.742 -4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.747 8.729 -4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.984 7.726 -3.501 1.00 0.00 H new ATOM 624 N LEU A 45 -5.204 7.886 -1.803 1.00 0.00 N ATOM 625 CA LEU A 45 -4.656 8.237 -0.461 1.00 0.00 C ATOM 626 C LEU A 45 -4.415 9.746 -0.371 1.00 0.00 C ATOM 627 O LEU A 45 -4.420 10.436 -1.372 1.00 0.00 O ATOM 628 CB LEU A 45 -3.331 7.479 -0.359 1.00 0.00 C ATOM 629 CG LEU A 45 -3.601 6.007 -0.042 1.00 0.00 C ATOM 630 CD1 LEU A 45 -2.413 5.160 -0.504 1.00 0.00 C ATOM 631 CD2 LEU A 45 -3.789 5.837 1.467 1.00 0.00 C ATOM 0 H LEU A 45 -4.585 7.331 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.339 7.971 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.780 7.564 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.708 7.920 0.419 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.503 5.683 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.605 4.111 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.276 5.281 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.511 5.484 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.981 4.788 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.886 6.160 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.634 6.441 1.799 1.00 0.00 H new ATOM 643 N PRO A 46 -4.207 10.207 0.832 1.00 0.00 N ATOM 644 CA PRO A 46 -3.955 11.648 1.061 1.00 0.00 C ATOM 645 C PRO A 46 -2.528 12.007 0.637 1.00 0.00 C ATOM 646 O PRO A 46 -1.620 11.208 0.748 1.00 0.00 O ATOM 647 CB PRO A 46 -4.133 11.809 2.568 1.00 0.00 C ATOM 648 CG PRO A 46 -3.860 10.454 3.143 1.00 0.00 C ATOM 649 CD PRO A 46 -4.187 9.435 2.078 1.00 0.00 C ATOM 0 HA PRO A 46 -4.618 12.298 0.490 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.444 12.553 2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.141 12.144 2.812 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.817 10.370 3.447 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.466 10.286 4.033 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.440 8.642 2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.149 8.958 2.266 1.00 0.00 H new ATOM 657 N GLU A 47 -2.325 13.199 0.147 1.00 0.00 N ATOM 658 CA GLU A 47 -0.959 13.604 -0.291 1.00 0.00 C ATOM 659 C GLU A 47 0.017 13.573 0.889 1.00 0.00 C ATOM 660 O GLU A 47 1.215 13.677 0.715 1.00 0.00 O ATOM 661 CB GLU A 47 -1.121 15.031 -0.813 1.00 0.00 C ATOM 662 CG GLU A 47 0.223 15.535 -1.338 1.00 0.00 C ATOM 663 CD GLU A 47 0.014 16.264 -2.666 1.00 0.00 C ATOM 664 OE1 GLU A 47 -0.989 16.003 -3.310 1.00 0.00 O ATOM 665 OE2 GLU A 47 0.860 17.070 -3.016 1.00 0.00 O ATOM 0 H GLU A 47 -3.046 13.911 0.031 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.555 12.932 -1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.867 15.057 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.480 15.683 -0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.680 16.206 -0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.908 14.699 -1.475 1.00 0.00 H new ATOM 672 N ASN A 48 -0.480 13.439 2.088 1.00 0.00 N ATOM 673 CA ASN A 48 0.430 13.412 3.269 1.00 0.00 C ATOM 674 C ASN A 48 0.579 11.984 3.809 1.00 0.00 C ATOM 675 O ASN A 48 1.104 11.773 4.884 1.00 0.00 O ATOM 676 CB ASN A 48 -0.241 14.311 4.309 1.00 0.00 C ATOM 677 CG ASN A 48 -1.531 13.653 4.799 1.00 0.00 C ATOM 678 OD1 ASN A 48 -1.867 12.562 4.383 1.00 0.00 O ATOM 679 ND2 ASN A 48 -2.275 14.275 5.673 1.00 0.00 N ATOM 0 H ASN A 48 -1.473 13.347 2.301 1.00 0.00 H new ATOM 0 HA ASN A 48 1.433 13.755 3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.434 14.481 5.148 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.461 15.286 3.874 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.138 13.845 6.006 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.993 15.191 6.023 1.00 0.00 H new ATOM 686 N ALA A 49 0.128 11.002 3.075 1.00 0.00 N ATOM 687 CA ALA A 49 0.258 9.598 3.560 1.00 0.00 C ATOM 688 C ALA A 49 1.640 9.045 3.200 1.00 0.00 C ATOM 689 O ALA A 49 2.294 9.523 2.295 1.00 0.00 O ATOM 690 CB ALA A 49 -0.841 8.817 2.839 1.00 0.00 C ATOM 0 H ALA A 49 -0.322 11.110 2.166 1.00 0.00 H new ATOM 0 HA ALA A 49 0.157 9.525 4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.807 7.772 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.814 9.239 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.687 8.883 1.762 1.00 0.00 H new ATOM 696 N LYS A 50 2.090 8.043 3.903 1.00 0.00 N ATOM 697 CA LYS A 50 3.430 7.465 3.600 1.00 0.00 C ATOM 698 C LYS A 50 3.277 6.188 2.773 1.00 0.00 C ATOM 699 O LYS A 50 2.865 5.159 3.270 1.00 0.00 O ATOM 700 CB LYS A 50 4.047 7.150 4.963 1.00 0.00 C ATOM 701 CG LYS A 50 5.572 7.259 4.873 1.00 0.00 C ATOM 702 CD LYS A 50 6.077 8.242 5.931 1.00 0.00 C ATOM 703 CE LYS A 50 7.174 7.576 6.768 1.00 0.00 C ATOM 704 NZ LYS A 50 6.530 6.377 7.381 1.00 0.00 N ATOM 0 H LYS A 50 1.589 7.600 4.673 1.00 0.00 H new ATOM 0 HA LYS A 50 4.052 8.148 3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.666 7.842 5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.762 6.147 5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.027 6.280 5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.865 7.596 3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.466 9.140 5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.254 8.555 6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.024 7.292 6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.551 8.254 7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.882 6.252 8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.499 6.509 7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.760 5.533 6.818 1.00 0.00 H new ATOM 718 N VAL A 51 3.603 6.246 1.513 1.00 0.00 N ATOM 719 CA VAL A 51 3.473 5.035 0.658 1.00 0.00 C ATOM 720 C VAL A 51 4.708 4.875 -0.229 1.00 0.00 C ATOM 721 O VAL A 51 5.548 5.750 -0.307 1.00 0.00 O ATOM 722 CB VAL A 51 2.233 5.286 -0.199 1.00 0.00 C ATOM 723 CG1 VAL A 51 0.989 5.265 0.689 1.00 0.00 C ATOM 724 CG2 VAL A 51 2.354 6.652 -0.878 1.00 0.00 C ATOM 0 H VAL A 51 3.953 7.078 1.039 1.00 0.00 H new ATOM 0 HA VAL A 51 3.386 4.123 1.249 1.00 0.00 H new ATOM 0 HB VAL A 51 2.150 4.509 -0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.104 5.444 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.905 4.293 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.070 6.043 1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.471 6.834 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.436 7.430 -0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.242 6.667 -1.510 1.00 0.00 H new ATOM 734 N SER A 52 4.819 3.766 -0.904 1.00 0.00 N ATOM 735 CA SER A 52 5.993 3.551 -1.792 1.00 0.00 C ATOM 736 C SER A 52 5.682 4.075 -3.196 1.00 0.00 C ATOM 737 O SER A 52 4.547 4.363 -3.522 1.00 0.00 O ATOM 738 CB SER A 52 6.205 2.037 -1.812 1.00 0.00 C ATOM 739 OG SER A 52 7.204 1.716 -2.770 1.00 0.00 O ATOM 0 H SER A 52 4.147 2.999 -0.879 1.00 0.00 H new ATOM 0 HA SER A 52 6.883 4.076 -1.444 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.506 1.687 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.272 1.531 -2.059 1.00 0.00 H new ATOM 0 HG SER A 52 6.878 1.002 -3.356 1.00 0.00 H new ATOM 745 N ASP A 53 6.676 4.204 -4.027 1.00 0.00 N ATOM 746 CA ASP A 53 6.430 4.714 -5.406 1.00 0.00 C ATOM 747 C ASP A 53 7.168 3.847 -6.428 1.00 0.00 C ATOM 748 O ASP A 53 7.536 4.302 -7.493 1.00 0.00 O ATOM 749 CB ASP A 53 6.984 6.138 -5.402 1.00 0.00 C ATOM 750 CG ASP A 53 8.509 6.093 -5.292 1.00 0.00 C ATOM 751 OD1 ASP A 53 9.155 6.012 -6.324 1.00 0.00 O ATOM 752 OD2 ASP A 53 9.004 6.140 -4.178 1.00 0.00 O ATOM 0 H ASP A 53 7.648 3.979 -3.813 1.00 0.00 H new ATOM 0 HA ASP A 53 5.375 4.690 -5.677 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.690 6.656 -6.315 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.565 6.700 -4.567 1.00 0.00 H new ATOM 757 N SER A 54 7.386 2.601 -6.112 1.00 0.00 N ATOM 758 CA SER A 54 8.099 1.703 -7.063 1.00 0.00 C ATOM 759 C SER A 54 7.454 0.314 -7.066 1.00 0.00 C ATOM 760 O SER A 54 7.208 -0.268 -6.029 1.00 0.00 O ATOM 761 CB SER A 54 9.532 1.626 -6.537 1.00 0.00 C ATOM 762 OG SER A 54 9.512 1.247 -5.167 1.00 0.00 O ATOM 0 H SER A 54 7.101 2.165 -5.235 1.00 0.00 H new ATOM 0 HA SER A 54 8.060 2.073 -8.087 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.106 0.903 -7.117 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.026 2.591 -6.652 1.00 0.00 H new ATOM 0 HG SER A 54 8.844 0.543 -5.032 1.00 0.00 H new ATOM 768 N ALA A 55 7.177 -0.220 -8.224 1.00 0.00 N ATOM 769 CA ALA A 55 6.549 -1.571 -8.289 1.00 0.00 C ATOM 770 C ALA A 55 7.627 -2.658 -8.359 1.00 0.00 C ATOM 771 O ALA A 55 7.336 -3.817 -8.574 1.00 0.00 O ATOM 772 CB ALA A 55 5.711 -1.560 -9.569 1.00 0.00 C ATOM 0 H ALA A 55 7.358 0.219 -9.127 1.00 0.00 H new ATOM 0 HA ALA A 55 5.943 -1.785 -7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.215 -2.524 -9.688 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.961 -0.772 -9.506 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.359 -1.377 -10.426 1.00 0.00 H new ATOM 778 N THR A 56 8.870 -2.298 -8.183 1.00 0.00 N ATOM 779 CA THR A 56 9.953 -3.323 -8.246 1.00 0.00 C ATOM 780 C THR A 56 11.046 -3.023 -7.214 1.00 0.00 C ATOM 781 O THR A 56 12.211 -2.923 -7.543 1.00 0.00 O ATOM 782 CB THR A 56 10.516 -3.217 -9.664 1.00 0.00 C ATOM 783 OG1 THR A 56 11.573 -4.152 -9.824 1.00 0.00 O ATOM 784 CG2 THR A 56 11.043 -1.801 -9.900 1.00 0.00 C ATOM 0 H THR A 56 9.182 -1.344 -7.999 1.00 0.00 H new ATOM 0 HA THR A 56 9.580 -4.323 -8.024 1.00 0.00 H new ATOM 0 HB THR A 56 9.728 -3.434 -10.386 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.200 -4.068 -9.075 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.444 -1.726 -10.911 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.230 -1.085 -9.778 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.831 -1.581 -9.180 1.00 0.00 H new ATOM 792 N ASN A 57 10.681 -2.888 -5.969 1.00 0.00 N ATOM 793 CA ASN A 57 11.705 -2.605 -4.920 1.00 0.00 C ATOM 794 C ASN A 57 11.502 -3.540 -3.721 1.00 0.00 C ATOM 795 O ASN A 57 10.409 -4.007 -3.466 1.00 0.00 O ATOM 796 CB ASN A 57 11.481 -1.142 -4.523 1.00 0.00 C ATOM 797 CG ASN A 57 10.288 -1.037 -3.570 1.00 0.00 C ATOM 798 OD1 ASN A 57 9.175 -1.361 -3.931 1.00 0.00 O ATOM 799 ND2 ASN A 57 10.477 -0.593 -2.358 1.00 0.00 N ATOM 0 H ASN A 57 9.721 -2.961 -5.632 1.00 0.00 H new ATOM 0 HA ASN A 57 12.722 -2.769 -5.277 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.376 -0.745 -4.044 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.301 -0.538 -5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.690 -0.518 -1.714 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.412 -0.321 -2.055 1.00 0.00 H new ATOM 806 N ILE A 58 12.546 -3.824 -2.989 1.00 0.00 N ATOM 807 CA ILE A 58 12.414 -4.732 -1.818 1.00 0.00 C ATOM 808 C ILE A 58 12.802 -4.003 -0.528 1.00 0.00 C ATOM 809 O ILE A 58 13.837 -3.371 -0.447 1.00 0.00 O ATOM 810 CB ILE A 58 13.381 -5.896 -2.082 1.00 0.00 C ATOM 811 CG1 ILE A 58 14.545 -5.452 -2.980 1.00 0.00 C ATOM 812 CG2 ILE A 58 12.629 -7.040 -2.762 1.00 0.00 C ATOM 813 CD1 ILE A 58 15.615 -6.545 -3.008 1.00 0.00 C ATOM 0 H ILE A 58 13.486 -3.464 -3.154 1.00 0.00 H new ATOM 0 HA ILE A 58 11.388 -5.079 -1.695 1.00 0.00 H new ATOM 0 HB ILE A 58 13.786 -6.229 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 58 14.185 -5.255 -3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.971 -4.521 -2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 58 13.315 -7.866 -2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.821 -7.380 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 58 12.214 -6.691 -3.708 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.441 -6.229 -3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 58 15.983 -6.720 -1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 58 15.184 -7.466 -3.401 1.00 0.00 H new ATOM 825 N CYS A 59 11.980 -4.092 0.483 1.00 0.00 N ATOM 826 CA CYS A 59 12.301 -3.409 1.771 1.00 0.00 C ATOM 827 C CYS A 59 12.657 -4.441 2.843 1.00 0.00 C ATOM 828 O CYS A 59 11.834 -5.232 3.256 1.00 0.00 O ATOM 829 CB CYS A 59 11.024 -2.662 2.154 1.00 0.00 C ATOM 830 SG CYS A 59 11.350 -1.604 3.587 1.00 0.00 S ATOM 0 H CYS A 59 11.100 -4.608 0.473 1.00 0.00 H new ATOM 0 HA CYS A 59 13.155 -2.738 1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.677 -2.059 1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.230 -3.372 2.386 1.00 0.00 H new ATOM 835 N GLY A 60 13.879 -4.436 3.299 1.00 0.00 N ATOM 836 CA GLY A 60 14.289 -5.413 4.347 1.00 0.00 C ATOM 837 C GLY A 60 13.257 -5.414 5.475 1.00 0.00 C ATOM 838 O GLY A 60 12.367 -4.580 5.437 1.00 0.00 O ATOM 839 OXT GLY A 60 13.374 -6.247 6.358 1.00 0.00 O ATOM 0 H GLY A 60 14.612 -3.797 2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.373 -6.411 3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.272 -5.151 4.739 1.00 0.00 H new TER 843 GLY A 60