USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 396 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 52 SER OG : rot 118:sc= 2.02 USER MOD Set 1.2: A 54 SER OG : rot 55:sc= 1.22 USER MOD Set 1.3: A 57 ASN :FLIP amide:sc= 1.27 F(o=-0.05,f=4.5) USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 0.888 USER MOD Set 2.2: A 9 LYS NZ :NH3+ 155:sc= -3.95! (180deg=-5.4!) USER MOD Set 2.3: A 24 GLN : amide:sc= -2.45! C(o=-5.6!,f=-7.7!) USER MOD Set 2.4: A 28 LYS NZ :NH3+ -99:sc= -0.287 (180deg=-0.047) USER MOD Set 2.5: A 29 LYS NZ :NH3+ -126:sc= 0.191 (180deg=-0.0929) USER MOD Set 3.1: A 12 LYS NZ :NH3+ -170:sc= 1.01 (180deg=-0.173) USER MOD Set 3.2: A 39 SER OG : rot 29:sc= 1.76 USER MOD Single : A 1 LYS N :NH3+ 134:sc= 0.0169 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 162:sc= 0.848 (180deg=0.41) USER MOD Single : A 4 TYR OH : rot -2:sc= 0.738 USER MOD Single : A 11 CYS SG : rot 11:sc= 0.233 USER MOD Single : A 14 SER OG : rot 16:sc= 0.752 USER MOD Single : A 18 ASN : amide:sc= 0.683 K(o=0.68,f=-5.5!) USER MOD Single : A 19 ASN : amide:sc= -0.0701 K(o=-0.07,f=-2) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.267 K(o=0.27,f=-0.61) USER MOD Single : A 26 LYS NZ :NH3+ 140:sc= 0.472 (180deg=0.00874) USER MOD Single : A 27 MET CE :methyl 167:sc=-0.00382 (180deg=-0.251) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.721 X(o=-0.72,f=-0.72) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -177:sc= 0 (180deg=-0.008) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.32 K(o=-0.32,f=-1.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.000 0.000 0.000 1.00 10.00 N ATOM 2 CA LYS A 1 1.453 0.000 0.000 1.00 10.00 C ATOM 3 C LYS A 1 1.959 0.956 1.083 1.00 10.00 C ATOM 4 O LYS A 1 1.439 2.060 1.232 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.316 -1.398 1.00 10.00 C ATOM 6 CG LYS A 1 3.511 0.166 -1.449 1.00 10.00 C ATOM 7 CD LYS A 1 3.916 -1.309 -1.475 1.00 10.00 C ATOM 8 CE LYS A 1 5.403 -1.463 -1.798 1.00 10.00 C ATOM 9 NZ LYS A 1 5.776 -2.895 -1.852 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 0.078 -0.977 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 -0.885 0.421 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 0.807 0.556 1.00 10.00 H new ATOM 0 HA LYS A 1 1.834 -0.991 0.246 1.00 10.00 H new ATOM 0 HB2 LYS A 1 1.530 -0.352 -2.127 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.711 1.332 -1.677 1.00 10.00 H new ATOM 0 HG2 LYS A 1 3.900 0.669 -2.334 1.00 10.00 H new ATOM 0 HG3 LYS A 1 3.957 0.654 -0.583 1.00 10.00 H new ATOM 0 HD2 LYS A 1 3.701 -1.766 -0.509 1.00 10.00 H new ATOM 0 HD3 LYS A 1 3.322 -1.840 -2.219 1.00 10.00 H new ATOM 0 HE2 LYS A 1 5.625 -0.987 -2.753 1.00 10.00 H new ATOM 0 HE3 LYS A 1 6.000 -0.954 -1.042 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 6.679 -3.000 -2.358 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 5.876 -3.264 -0.885 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 5.035 -3.428 -2.351 1.00 10.00 H new ATOM 22 N ASP A 2 2.966 0.495 1.809 1.00 10.00 N ATOM 23 CA ASP A 2 3.591 1.320 2.829 1.00 10.00 C ATOM 24 C ASP A 2 5.092 1.025 2.869 1.00 10.00 C ATOM 25 O ASP A 2 5.510 -0.112 2.656 1.00 10.00 O ATOM 26 CB ASP A 2 3.013 1.018 4.213 1.00 10.00 C ATOM 27 CG ASP A 2 1.486 1.054 4.298 1.00 10.00 C ATOM 28 OD1 ASP A 2 0.855 2.084 4.017 1.00 10.00 O ATOM 29 OD2 ASP A 2 0.935 -0.049 4.676 1.00 10.00 O ATOM 0 H ASP A 2 3.365 -0.439 1.712 1.00 10.00 H new ATOM 0 HA ASP A 2 3.402 2.364 2.580 1.00 10.00 H new ATOM 0 HB2 ASP A 2 3.356 0.032 4.526 1.00 10.00 H new ATOM 0 HB3 ASP A 2 3.419 1.737 4.924 1.00 10.00 H new ATOM 35 N GLY A 3 5.861 2.068 3.143 1.00 10.00 N ATOM 36 CA GLY A 3 7.309 1.946 3.166 1.00 10.00 C ATOM 37 C GLY A 3 7.978 3.281 2.833 1.00 10.00 C ATOM 38 O GLY A 3 7.468 4.341 3.193 1.00 10.00 O ATOM 0 H GLY A 3 5.509 3.002 3.351 1.00 10.00 H new ATOM 0 HA2 GLY A 3 7.633 1.608 4.150 1.00 10.00 H new ATOM 0 HA3 GLY A 3 7.625 1.188 2.449 1.00 10.00 H new ATOM 42 N TYR A 4 9.109 3.186 2.150 1.00 10.00 N ATOM 43 CA TYR A 4 10.012 4.318 2.036 1.00 10.00 C ATOM 44 C TYR A 4 10.167 4.752 0.577 1.00 10.00 C ATOM 45 O TYR A 4 10.759 4.035 -0.228 1.00 10.00 O ATOM 46 CB TYR A 4 11.366 3.831 2.557 1.00 10.00 C ATOM 47 CG TYR A 4 11.295 3.135 3.918 1.00 10.00 C ATOM 48 CD1 TYR A 4 11.374 3.879 5.078 1.00 10.00 C ATOM 49 CD2 TYR A 4 11.153 1.764 3.985 1.00 10.00 C ATOM 50 CE1 TYR A 4 11.308 3.224 6.359 1.00 10.00 C ATOM 51 CE2 TYR A 4 11.087 1.109 5.266 1.00 10.00 C ATOM 52 CZ TYR A 4 11.168 1.871 6.390 1.00 10.00 C ATOM 53 OH TYR A 4 11.105 1.253 7.599 1.00 10.00 O ATOM 0 H TYR A 4 9.421 2.342 1.670 1.00 10.00 H new ATOM 0 HA TYR A 4 9.630 5.171 2.596 1.00 10.00 H new ATOM 0 HB2 TYR A 4 11.797 3.142 1.830 1.00 10.00 H new ATOM 0 HB3 TYR A 4 12.043 4.682 2.630 1.00 10.00 H new ATOM 0 HD1 TYR A 4 11.485 4.952 5.025 1.00 10.00 H new ATOM 0 HD2 TYR A 4 11.091 1.182 3.077 1.00 10.00 H new ATOM 0 HE1 TYR A 4 11.368 3.794 7.274 1.00 10.00 H new ATOM 0 HE2 TYR A 4 10.976 0.037 5.333 1.00 10.00 H new ATOM 0 HH TYR A 4 11.213 1.917 8.312 1.00 10.00 H new ATOM 63 N PRO A 5 9.609 5.954 0.273 1.00 10.00 N ATOM 64 CA PRO A 5 9.751 6.532 -1.052 1.00 10.00 C ATOM 65 C PRO A 5 11.160 7.094 -1.257 1.00 10.00 C ATOM 66 O PRO A 5 11.779 7.585 -0.314 1.00 10.00 O ATOM 67 CB PRO A 5 8.669 7.595 -1.137 1.00 10.00 C ATOM 68 CG PRO A 5 8.266 7.894 0.298 1.00 10.00 C ATOM 69 CD PRO A 5 8.831 6.793 1.180 1.00 10.00 C ATOM 0 HA PRO A 5 9.629 5.796 -1.847 1.00 10.00 H new ATOM 0 HB2 PRO A 5 9.040 8.492 -1.633 1.00 10.00 H new ATOM 0 HB3 PRO A 5 7.817 7.240 -1.716 1.00 10.00 H new ATOM 0 HG2 PRO A 5 8.650 8.866 0.608 1.00 10.00 H new ATOM 0 HG3 PRO A 5 7.181 7.937 0.389 1.00 10.00 H new ATOM 0 HD2 PRO A 5 9.455 7.203 1.974 1.00 10.00 H new ATOM 0 HD3 PRO A 5 8.036 6.224 1.662 1.00 10.00 H new ATOM 77 N VAL A 6 11.624 7.004 -2.495 1.00 10.00 N ATOM 78 CA VAL A 6 12.867 7.653 -2.877 1.00 10.00 C ATOM 79 C VAL A 6 12.839 7.956 -4.376 1.00 10.00 C ATOM 80 O VAL A 6 12.478 7.098 -5.180 1.00 10.00 O ATOM 81 CB VAL A 6 14.058 6.786 -2.465 1.00 10.00 C ATOM 82 CG1 VAL A 6 13.971 5.397 -3.101 1.00 10.00 C ATOM 83 CG2 VAL A 6 15.381 7.468 -2.817 1.00 10.00 C ATOM 0 H VAL A 6 11.162 6.492 -3.246 1.00 10.00 H new ATOM 0 HA VAL A 6 12.978 8.603 -2.355 1.00 10.00 H new ATOM 0 HB VAL A 6 14.023 6.662 -1.383 1.00 10.00 H new ATOM 0 HG11 VAL A 6 14.830 4.801 -2.792 1.00 10.00 H new ATOM 0 HG12 VAL A 6 13.053 4.906 -2.778 1.00 10.00 H new ATOM 0 HG13 VAL A 6 13.968 5.493 -4.187 1.00 10.00 H new ATOM 0 HG21 VAL A 6 16.211 6.830 -2.513 1.00 10.00 H new ATOM 0 HG22 VAL A 6 15.428 7.637 -3.893 1.00 10.00 H new ATOM 0 HG23 VAL A 6 15.448 8.423 -2.296 1.00 10.00 H new ATOM 93 N ASP A 7 13.225 9.180 -4.707 1.00 10.00 N ATOM 94 CA ASP A 7 13.336 9.579 -6.100 1.00 10.00 C ATOM 95 C ASP A 7 13.954 10.976 -6.178 1.00 10.00 C ATOM 96 O ASP A 7 15.102 11.128 -6.592 1.00 10.00 O ATOM 97 CB ASP A 7 11.961 9.632 -6.769 1.00 10.00 C ATOM 98 CG ASP A 7 10.788 9.878 -5.818 1.00 10.00 C ATOM 99 OD1 ASP A 7 9.934 9.001 -5.617 1.00 10.00 O ATOM 100 OD2 ASP A 7 10.771 11.042 -5.263 1.00 10.00 O ATOM 0 H ASP A 7 13.465 9.908 -4.034 1.00 10.00 H new ATOM 0 HA ASP A 7 13.958 8.845 -6.612 1.00 10.00 H new ATOM 0 HB2 ASP A 7 11.970 10.420 -7.522 1.00 10.00 H new ATOM 0 HB3 ASP A 7 11.793 8.692 -7.294 1.00 10.00 H new ATOM 106 N SER A 8 13.165 11.961 -5.773 1.00 10.00 N ATOM 107 CA SER A 8 13.580 13.348 -5.892 1.00 10.00 C ATOM 108 C SER A 8 14.493 13.724 -4.723 1.00 10.00 C ATOM 109 O SER A 8 15.446 14.482 -4.895 1.00 10.00 O ATOM 110 CB SER A 8 12.369 14.282 -5.941 1.00 10.00 C ATOM 111 OG SER A 8 11.277 13.781 -5.175 1.00 10.00 O ATOM 0 H SER A 8 12.241 11.826 -5.362 1.00 10.00 H new ATOM 0 HA SER A 8 14.131 13.461 -6.826 1.00 10.00 H new ATOM 0 HB2 SER A 8 12.654 15.265 -5.566 1.00 10.00 H new ATOM 0 HB3 SER A 8 12.055 14.414 -6.976 1.00 10.00 H new ATOM 0 HG SER A 8 10.524 14.406 -5.231 1.00 10.00 H new ATOM 117 N LYS A 9 14.170 13.175 -3.562 1.00 10.00 N ATOM 118 CA LYS A 9 14.911 13.491 -2.353 1.00 10.00 C ATOM 119 C LYS A 9 16.227 12.710 -2.348 1.00 10.00 C ATOM 120 O LYS A 9 17.127 13.007 -1.563 1.00 10.00 O ATOM 121 CB LYS A 9 14.047 13.247 -1.114 1.00 10.00 C ATOM 122 CG LYS A 9 13.691 11.765 -0.977 1.00 10.00 C ATOM 123 CD LYS A 9 12.200 11.583 -0.688 1.00 10.00 C ATOM 124 CE LYS A 9 11.388 11.569 -1.985 1.00 10.00 C ATOM 125 NZ LYS A 9 11.375 12.914 -2.603 1.00 10.00 N ATOM 0 H LYS A 9 13.405 12.513 -3.433 1.00 10.00 H new ATOM 0 HA LYS A 9 15.167 14.550 -2.330 1.00 10.00 H new ATOM 0 HB2 LYS A 9 14.580 13.581 -0.223 1.00 10.00 H new ATOM 0 HB3 LYS A 9 13.134 13.839 -1.180 1.00 10.00 H new ATOM 0 HG2 LYS A 9 13.954 11.238 -1.894 1.00 10.00 H new ATOM 0 HG3 LYS A 9 14.278 11.319 -0.174 1.00 10.00 H new ATOM 0 HD2 LYS A 9 12.042 10.651 -0.146 1.00 10.00 H new ATOM 0 HD3 LYS A 9 11.850 12.390 -0.044 1.00 10.00 H new ATOM 0 HE2 LYS A 9 11.815 10.847 -2.681 1.00 10.00 H new ATOM 0 HE3 LYS A 9 10.367 11.247 -1.778 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 11.214 12.824 -3.627 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 10.613 13.483 -2.181 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 12.289 13.382 -2.436 1.00 10.00 H new ATOM 138 N GLY A 10 16.297 11.726 -3.233 1.00 10.00 N ATOM 139 CA GLY A 10 17.572 11.121 -3.580 1.00 10.00 C ATOM 140 C GLY A 10 17.872 9.920 -2.681 1.00 10.00 C ATOM 141 O GLY A 10 17.977 8.792 -3.160 1.00 10.00 O ATOM 0 H GLY A 10 15.492 11.333 -3.720 1.00 10.00 H new ATOM 0 HA2 GLY A 10 17.556 10.804 -4.623 1.00 10.00 H new ATOM 0 HA3 GLY A 10 18.367 11.860 -3.483 1.00 10.00 H new ATOM 145 N CYS A 11 18.001 10.203 -1.393 1.00 10.00 N ATOM 146 CA CYS A 11 18.261 9.157 -0.419 1.00 10.00 C ATOM 147 C CYS A 11 17.489 9.488 0.860 1.00 10.00 C ATOM 148 O CYS A 11 18.087 9.677 1.918 1.00 10.00 O ATOM 149 CB CYS A 11 19.758 8.988 -0.155 1.00 10.00 C ATOM 150 SG CYS A 11 20.707 8.273 -1.546 1.00 10.00 S ATOM 0 H CYS A 11 17.930 11.142 -1.001 1.00 10.00 H new ATOM 0 HA CYS A 11 17.919 8.199 -0.811 1.00 10.00 H new ATOM 0 HB2 CYS A 11 20.181 9.962 0.092 1.00 10.00 H new ATOM 0 HB3 CYS A 11 19.889 8.352 0.720 1.00 10.00 H new ATOM 0 HG CYS A 11 19.961 8.242 -2.610 1.00 10.00 H new ATOM 155 N LYS A 12 16.173 9.550 0.720 1.00 10.00 N ATOM 156 CA LYS A 12 15.310 9.792 1.863 1.00 10.00 C ATOM 157 C LYS A 12 15.634 11.163 2.461 1.00 10.00 C ATOM 158 O LYS A 12 16.513 11.867 1.967 1.00 10.00 O ATOM 159 CB LYS A 12 15.415 8.643 2.867 1.00 10.00 C ATOM 160 CG LYS A 12 14.226 7.689 2.736 1.00 10.00 C ATOM 161 CD LYS A 12 14.375 6.493 3.679 1.00 10.00 C ATOM 162 CE LYS A 12 15.253 5.408 3.053 1.00 10.00 C ATOM 163 NZ LYS A 12 15.508 4.323 4.027 1.00 10.00 N ATOM 0 H LYS A 12 15.684 9.437 -0.168 1.00 10.00 H new ATOM 0 HA LYS A 12 14.266 9.818 1.552 1.00 10.00 H new ATOM 0 HB2 LYS A 12 16.344 8.096 2.704 1.00 10.00 H new ATOM 0 HB3 LYS A 12 15.455 9.043 3.880 1.00 10.00 H new ATOM 0 HG2 LYS A 12 13.302 8.221 2.961 1.00 10.00 H new ATOM 0 HG3 LYS A 12 14.149 7.338 1.707 1.00 10.00 H new ATOM 0 HD2 LYS A 12 14.813 6.821 4.622 1.00 10.00 H new ATOM 0 HD3 LYS A 12 13.392 6.082 3.910 1.00 10.00 H new ATOM 0 HE2 LYS A 12 14.764 5.002 2.167 1.00 10.00 H new ATOM 0 HE3 LYS A 12 16.198 5.841 2.726 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 16.237 3.683 3.651 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 15.837 4.733 4.925 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 14.630 3.790 4.191 1.00 10.00 H new ATOM 176 N LEU A 13 14.908 11.500 3.516 1.00 10.00 N ATOM 177 CA LEU A 13 14.999 12.830 4.094 1.00 10.00 C ATOM 178 C LEU A 13 15.923 12.789 5.313 1.00 10.00 C ATOM 179 O LEU A 13 16.141 13.809 5.965 1.00 10.00 O ATOM 180 CB LEU A 13 13.604 13.379 4.398 1.00 10.00 C ATOM 181 CG LEU A 13 12.656 13.501 3.203 1.00 10.00 C ATOM 182 CD1 LEU A 13 11.850 12.215 3.009 1.00 10.00 C ATOM 183 CD2 LEU A 13 11.753 14.728 3.342 1.00 10.00 C ATOM 0 H LEU A 13 14.254 10.875 3.986 1.00 10.00 H new ATOM 0 HA LEU A 13 15.441 13.526 3.381 1.00 10.00 H new ATOM 0 HB2 LEU A 13 13.136 12.735 5.143 1.00 10.00 H new ATOM 0 HB3 LEU A 13 13.714 14.364 4.851 1.00 10.00 H new ATOM 0 HG LEU A 13 13.256 13.644 2.304 1.00 10.00 H new ATOM 0 HD11 LEU A 13 11.184 12.328 2.153 1.00 10.00 H new ATOM 0 HD12 LEU A 13 12.531 11.382 2.831 1.00 10.00 H new ATOM 0 HD13 LEU A 13 11.260 12.017 3.904 1.00 10.00 H new ATOM 0 HD21 LEU A 13 11.089 14.791 2.480 1.00 10.00 H new ATOM 0 HD22 LEU A 13 11.159 14.641 4.252 1.00 10.00 H new ATOM 0 HD23 LEU A 13 12.367 15.627 3.394 1.00 10.00 H new ATOM 195 N SER A 14 16.441 11.600 5.583 1.00 10.00 N ATOM 196 CA SER A 14 17.139 11.355 6.834 1.00 10.00 C ATOM 197 C SER A 14 16.374 11.995 7.994 1.00 10.00 C ATOM 198 O SER A 14 16.893 12.883 8.669 1.00 10.00 O ATOM 199 CB SER A 14 18.570 11.893 6.781 1.00 10.00 C ATOM 200 OG SER A 14 18.609 13.275 6.435 1.00 10.00 O ATOM 0 H SER A 14 16.392 10.796 4.957 1.00 10.00 H new ATOM 0 HA SER A 14 17.190 10.278 6.991 1.00 10.00 H new ATOM 0 HB2 SER A 14 19.048 11.748 7.750 1.00 10.00 H new ATOM 0 HB3 SER A 14 19.146 11.321 6.053 1.00 10.00 H new ATOM 0 HG SER A 14 17.716 13.664 6.542 1.00 10.00 H new ATOM 206 N CYS A 15 15.153 11.519 8.191 1.00 10.00 N ATOM 207 CA CYS A 15 14.266 12.117 9.174 1.00 10.00 C ATOM 208 C CYS A 15 14.789 11.766 10.568 1.00 10.00 C ATOM 209 O CYS A 15 15.376 10.703 10.766 1.00 10.00 O ATOM 210 CB CYS A 15 12.818 11.666 8.977 1.00 10.00 C ATOM 211 SG CYS A 15 12.544 9.865 9.153 1.00 10.00 S ATOM 0 H CYS A 15 14.757 10.726 7.686 1.00 10.00 H new ATOM 0 HA CYS A 15 14.259 13.200 9.052 1.00 10.00 H new ATOM 0 HB2 CYS A 15 12.189 12.187 9.698 1.00 10.00 H new ATOM 0 HB3 CYS A 15 12.488 11.974 7.985 1.00 10.00 H new ATOM 216 N VAL A 16 14.558 12.680 11.500 1.00 10.00 N ATOM 217 CA VAL A 16 14.839 12.410 12.899 1.00 10.00 C ATOM 218 C VAL A 16 13.603 12.745 13.737 1.00 10.00 C ATOM 219 O VAL A 16 13.698 12.905 14.953 1.00 10.00 O ATOM 220 CB VAL A 16 16.086 13.179 13.340 1.00 10.00 C ATOM 221 CG1 VAL A 16 17.327 12.685 12.593 1.00 10.00 C ATOM 222 CG2 VAL A 16 15.897 14.685 13.153 1.00 10.00 C ATOM 0 H VAL A 16 14.179 13.608 11.313 1.00 10.00 H new ATOM 0 HA VAL A 16 15.056 11.352 13.048 1.00 10.00 H new ATOM 0 HB VAL A 16 16.237 12.991 14.403 1.00 10.00 H new ATOM 0 HG11 VAL A 16 18.199 13.248 12.925 1.00 10.00 H new ATOM 0 HG12 VAL A 16 17.478 11.626 12.800 1.00 10.00 H new ATOM 0 HG13 VAL A 16 17.188 12.829 11.522 1.00 10.00 H new ATOM 0 HG21 VAL A 16 16.798 15.207 13.474 1.00 10.00 H new ATOM 0 HG22 VAL A 16 15.708 14.900 12.101 1.00 10.00 H new ATOM 0 HG23 VAL A 16 15.050 15.022 13.750 1.00 10.00 H new ATOM 232 N ALA A 17 12.472 12.842 13.053 1.00 10.00 N ATOM 233 CA ALA A 17 11.231 13.216 13.709 1.00 10.00 C ATOM 234 C ALA A 17 10.052 12.851 12.805 1.00 10.00 C ATOM 235 O ALA A 17 10.163 12.905 11.581 1.00 10.00 O ATOM 236 CB ALA A 17 11.263 14.707 14.051 1.00 10.00 C ATOM 0 H ALA A 17 12.389 12.668 12.051 1.00 10.00 H new ATOM 0 HA ALA A 17 11.112 12.669 14.644 1.00 10.00 H new ATOM 0 HB1 ALA A 17 10.332 14.987 14.543 1.00 10.00 H new ATOM 0 HB2 ALA A 17 12.101 14.909 14.718 1.00 10.00 H new ATOM 0 HB3 ALA A 17 11.379 15.288 13.136 1.00 10.00 H new ATOM 242 N ASN A 18 8.949 12.486 13.443 1.00 10.00 N ATOM 243 CA ASN A 18 7.818 11.925 12.723 1.00 10.00 C ATOM 244 C ASN A 18 7.213 12.999 11.817 1.00 10.00 C ATOM 245 O ASN A 18 6.887 12.730 10.662 1.00 10.00 O ATOM 246 CB ASN A 18 6.730 11.453 13.689 1.00 10.00 C ATOM 247 CG ASN A 18 7.138 10.150 14.380 1.00 10.00 C ATOM 248 OD1 ASN A 18 7.778 9.286 13.804 1.00 10.00 O ATOM 249 ND2 ASN A 18 6.733 10.058 15.644 1.00 10.00 N ATOM 0 H ASN A 18 8.815 12.568 14.451 1.00 10.00 H new ATOM 0 HA ASN A 18 8.176 11.076 12.141 1.00 10.00 H new ATOM 0 HB2 ASN A 18 6.544 12.223 14.438 1.00 10.00 H new ATOM 0 HB3 ASN A 18 5.796 11.304 13.146 1.00 10.00 H new ATOM 0 HD21 ASN A 18 6.955 9.227 16.192 1.00 10.00 H new ATOM 0 HD22 ASN A 18 6.200 10.819 16.065 1.00 10.00 H new ATOM 256 N ASN A 19 7.080 14.193 12.376 1.00 10.00 N ATOM 257 CA ASN A 19 6.434 15.284 11.666 1.00 10.00 C ATOM 258 C ASN A 19 7.243 15.622 10.412 1.00 10.00 C ATOM 259 O ASN A 19 6.685 16.060 9.407 1.00 10.00 O ATOM 260 CB ASN A 19 6.362 16.541 12.535 1.00 10.00 C ATOM 261 CG ASN A 19 7.749 16.932 13.049 1.00 10.00 C ATOM 262 OD1 ASN A 19 8.288 16.339 13.969 1.00 10.00 O ATOM 263 ND2 ASN A 19 8.294 17.961 12.407 1.00 10.00 N ATOM 0 H ASN A 19 7.409 14.429 13.312 1.00 10.00 H new ATOM 0 HA ASN A 19 5.424 14.966 11.407 1.00 10.00 H new ATOM 0 HB2 ASN A 19 5.939 17.363 11.957 1.00 10.00 H new ATOM 0 HB3 ASN A 19 5.693 16.367 13.378 1.00 10.00 H new ATOM 0 HD21 ASN A 19 9.218 18.299 12.677 1.00 10.00 H new ATOM 0 HD22 ASN A 19 7.788 18.412 11.645 1.00 10.00 H new ATOM 270 N TYR A 20 8.547 15.405 10.512 1.00 10.00 N ATOM 271 CA TYR A 20 9.453 15.788 9.443 1.00 10.00 C ATOM 272 C TYR A 20 9.299 14.861 8.235 1.00 10.00 C ATOM 273 O TYR A 20 9.594 15.251 7.107 1.00 10.00 O ATOM 274 CB TYR A 20 10.865 15.635 10.012 1.00 10.00 C ATOM 275 CG TYR A 20 11.950 16.318 9.177 1.00 10.00 C ATOM 276 CD1 TYR A 20 12.213 17.662 9.353 1.00 10.00 C ATOM 277 CD2 TYR A 20 12.665 15.591 8.247 1.00 10.00 C ATOM 278 CE1 TYR A 20 13.234 18.305 8.567 1.00 10.00 C ATOM 279 CE2 TYR A 20 13.686 16.234 7.461 1.00 10.00 C ATOM 280 CZ TYR A 20 13.920 17.559 7.660 1.00 10.00 C ATOM 281 OH TYR A 20 14.884 18.167 6.917 1.00 10.00 O ATOM 0 H TYR A 20 8.997 14.969 11.317 1.00 10.00 H new ATOM 0 HA TYR A 20 9.245 16.804 9.109 1.00 10.00 H new ATOM 0 HB2 TYR A 20 10.885 16.046 11.021 1.00 10.00 H new ATOM 0 HB3 TYR A 20 11.099 14.574 10.095 1.00 10.00 H new ATOM 0 HD1 TYR A 20 11.653 18.231 10.080 1.00 10.00 H new ATOM 0 HD2 TYR A 20 12.459 14.540 8.109 1.00 10.00 H new ATOM 0 HE1 TYR A 20 13.450 19.355 8.695 1.00 10.00 H new ATOM 0 HE2 TYR A 20 14.253 15.677 6.730 1.00 10.00 H new ATOM 0 HH TYR A 20 15.292 17.513 6.312 1.00 10.00 H new ATOM 291 N CYS A 21 8.838 13.651 8.514 1.00 10.00 N ATOM 292 CA CYS A 21 8.488 12.720 7.454 1.00 10.00 C ATOM 293 C CYS A 21 7.044 12.995 7.030 1.00 10.00 C ATOM 294 O CYS A 21 6.755 13.118 5.841 1.00 10.00 O ATOM 295 CB CYS A 21 8.689 11.267 7.887 1.00 10.00 C ATOM 296 SG CYS A 21 7.972 10.022 6.755 1.00 10.00 S ATOM 0 H CYS A 21 8.699 13.293 9.459 1.00 10.00 H new ATOM 0 HA CYS A 21 9.151 12.870 6.602 1.00 10.00 H new ATOM 0 HB2 CYS A 21 9.758 11.076 7.984 1.00 10.00 H new ATOM 0 HB3 CYS A 21 8.250 11.133 8.876 1.00 10.00 H new ATOM 301 N ASP A 22 6.175 13.083 8.027 1.00 10.00 N ATOM 302 CA ASP A 22 4.751 12.909 7.796 1.00 10.00 C ATOM 303 C ASP A 22 4.278 13.935 6.764 1.00 10.00 C ATOM 304 O ASP A 22 3.410 13.640 5.944 1.00 10.00 O ATOM 305 CB ASP A 22 3.954 13.130 9.083 1.00 10.00 C ATOM 306 CG ASP A 22 2.496 12.668 9.027 1.00 10.00 C ATOM 307 OD1 ASP A 22 2.120 11.840 8.184 1.00 10.00 O ATOM 308 OD2 ASP A 22 1.721 13.202 9.910 1.00 10.00 O ATOM 0 H ASP A 22 6.430 13.272 8.996 1.00 10.00 H new ATOM 0 HA ASP A 22 4.588 11.891 7.441 1.00 10.00 H new ATOM 0 HB2 ASP A 22 4.455 12.606 9.897 1.00 10.00 H new ATOM 0 HB3 ASP A 22 3.974 14.192 9.327 1.00 10.00 H new ATOM 314 N ASN A 23 4.869 15.118 6.838 1.00 10.00 N ATOM 315 CA ASN A 23 4.438 16.224 5.999 1.00 10.00 C ATOM 316 C ASN A 23 4.740 15.896 4.536 1.00 10.00 C ATOM 317 O ASN A 23 3.956 16.226 3.647 1.00 10.00 O ATOM 318 CB ASN A 23 5.183 17.511 6.359 1.00 10.00 C ATOM 319 CG ASN A 23 6.647 17.437 5.922 1.00 10.00 C ATOM 320 OD1 ASN A 23 7.009 17.792 4.813 1.00 10.00 O ATOM 321 ND2 ASN A 23 7.466 16.958 6.854 1.00 10.00 N ATOM 0 H ASN A 23 5.643 15.335 7.466 1.00 10.00 H new ATOM 0 HA ASN A 23 3.369 16.370 6.156 1.00 10.00 H new ATOM 0 HB2 ASN A 23 4.699 18.362 5.879 1.00 10.00 H new ATOM 0 HB3 ASN A 23 5.129 17.678 7.435 1.00 10.00 H new ATOM 0 HD21 ASN A 23 8.463 16.870 6.660 1.00 10.00 H new ATOM 0 HD22 ASN A 23 7.097 16.679 7.763 1.00 10.00 H new ATOM 328 N GLN A 24 5.879 15.251 4.330 1.00 10.00 N ATOM 329 CA GLN A 24 6.366 15.002 2.984 1.00 10.00 C ATOM 330 C GLN A 24 5.545 13.895 2.319 1.00 10.00 C ATOM 331 O GLN A 24 5.486 13.813 1.093 1.00 10.00 O ATOM 332 CB GLN A 24 7.854 14.649 2.996 1.00 10.00 C ATOM 333 CG GLN A 24 8.059 13.134 3.058 1.00 10.00 C ATOM 334 CD GLN A 24 8.013 12.517 1.659 1.00 10.00 C ATOM 335 OE1 GLN A 24 7.175 11.688 1.345 1.00 10.00 O ATOM 336 NE2 GLN A 24 8.958 12.967 0.838 1.00 10.00 N ATOM 0 H GLN A 24 6.479 14.893 5.073 1.00 10.00 H new ATOM 0 HA GLN A 24 6.248 15.915 2.401 1.00 10.00 H new ATOM 0 HB2 GLN A 24 8.333 15.048 2.102 1.00 10.00 H new ATOM 0 HB3 GLN A 24 8.336 15.120 3.853 1.00 10.00 H new ATOM 0 HG2 GLN A 24 9.018 12.912 3.526 1.00 10.00 H new ATOM 0 HG3 GLN A 24 7.288 12.684 3.683 1.00 10.00 H new ATOM 0 HE21 GLN A 24 9.629 13.662 1.165 1.00 10.00 H new ATOM 0 HE22 GLN A 24 9.012 12.617 -0.119 1.00 10.00 H new ATOM 345 N CYS A 25 4.933 13.071 3.157 1.00 10.00 N ATOM 346 CA CYS A 25 3.979 12.087 2.675 1.00 10.00 C ATOM 347 C CYS A 25 2.719 12.824 2.216 1.00 10.00 C ATOM 348 O CYS A 25 2.277 12.656 1.080 1.00 10.00 O ATOM 349 CB CYS A 25 3.667 11.033 3.740 1.00 10.00 C ATOM 350 SG CYS A 25 5.137 10.288 4.535 1.00 10.00 S ATOM 0 H CYS A 25 5.079 13.065 4.166 1.00 10.00 H new ATOM 0 HA CYS A 25 4.408 11.543 1.833 1.00 10.00 H new ATOM 0 HB2 CYS A 25 3.046 11.489 4.511 1.00 10.00 H new ATOM 0 HB3 CYS A 25 3.077 10.239 3.283 1.00 10.00 H new ATOM 355 N LYS A 26 2.177 13.625 3.121 1.00 10.00 N ATOM 356 CA LYS A 26 0.888 14.253 2.889 1.00 10.00 C ATOM 357 C LYS A 26 0.971 15.132 1.639 1.00 10.00 C ATOM 358 O LYS A 26 0.039 15.167 0.837 1.00 10.00 O ATOM 359 CB LYS A 26 0.424 15.004 4.139 1.00 10.00 C ATOM 360 CG LYS A 26 -0.003 14.028 5.238 1.00 10.00 C ATOM 361 CD LYS A 26 -0.246 14.762 6.558 1.00 10.00 C ATOM 362 CE LYS A 26 -0.784 13.806 7.625 1.00 10.00 C ATOM 363 NZ LYS A 26 -0.829 14.475 8.945 1.00 10.00 N ATOM 0 H LYS A 26 2.607 13.854 4.017 1.00 10.00 H new ATOM 0 HA LYS A 26 0.126 13.498 2.698 1.00 10.00 H new ATOM 0 HB2 LYS A 26 1.230 15.640 4.505 1.00 10.00 H new ATOM 0 HB3 LYS A 26 -0.409 15.659 3.886 1.00 10.00 H new ATOM 0 HG2 LYS A 26 -0.911 13.508 4.934 1.00 10.00 H new ATOM 0 HG3 LYS A 26 0.768 13.270 5.376 1.00 10.00 H new ATOM 0 HD2 LYS A 26 0.684 15.213 6.904 1.00 10.00 H new ATOM 0 HD3 LYS A 26 -0.955 15.575 6.401 1.00 10.00 H new ATOM 0 HE2 LYS A 26 -1.782 13.467 7.348 1.00 10.00 H new ATOM 0 HE3 LYS A 26 -0.151 12.920 7.681 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 -1.699 14.201 9.444 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 -0.003 14.188 9.508 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 -0.816 15.506 8.812 1.00 10.00 H new ATOM 376 N MET A 27 2.096 15.820 1.513 1.00 10.00 N ATOM 377 CA MET A 27 2.237 16.843 0.490 1.00 10.00 C ATOM 378 C MET A 27 2.017 16.256 -0.906 1.00 10.00 C ATOM 379 O MET A 27 1.506 16.935 -1.795 1.00 10.00 O ATOM 380 CB MET A 27 3.637 17.456 0.571 1.00 10.00 C ATOM 381 CG MET A 27 3.694 18.553 1.636 1.00 10.00 C ATOM 382 SD MET A 27 5.385 18.833 2.134 1.00 10.00 S ATOM 383 CE MET A 27 6.063 19.440 0.599 1.00 10.00 C ATOM 0 H MET A 27 2.918 15.689 2.102 1.00 10.00 H new ATOM 0 HA MET A 27 1.483 17.611 0.664 1.00 10.00 H new ATOM 0 HB2 MET A 27 4.365 16.679 0.805 1.00 10.00 H new ATOM 0 HB3 MET A 27 3.913 17.871 -0.399 1.00 10.00 H new ATOM 0 HG2 MET A 27 3.264 19.475 1.244 1.00 10.00 H new ATOM 0 HG3 MET A 27 3.095 18.264 2.500 1.00 10.00 H new ATOM 0 HE1 MET A 27 7.043 19.879 0.783 1.00 10.00 H new ATOM 0 HE2 MET A 27 6.162 18.615 -0.107 1.00 10.00 H new ATOM 0 HE3 MET A 27 5.399 20.197 0.182 1.00 10.00 H new ATOM 393 N LYS A 28 2.412 15.000 -1.054 1.00 10.00 N ATOM 394 CA LYS A 28 2.387 14.357 -2.357 1.00 10.00 C ATOM 395 C LYS A 28 2.246 12.845 -2.171 1.00 10.00 C ATOM 396 O LYS A 28 1.251 12.255 -2.589 1.00 10.00 O ATOM 397 CB LYS A 28 3.611 14.764 -3.179 1.00 10.00 C ATOM 398 CG LYS A 28 4.781 15.145 -2.270 1.00 10.00 C ATOM 399 CD LYS A 28 6.066 15.331 -3.079 1.00 10.00 C ATOM 400 CE LYS A 28 7.241 15.693 -2.167 1.00 10.00 C ATOM 401 NZ LYS A 28 7.678 14.510 -1.392 1.00 10.00 N ATOM 0 H LYS A 28 2.751 14.411 -0.294 1.00 10.00 H new ATOM 0 HA LYS A 28 1.522 14.691 -2.930 1.00 10.00 H new ATOM 0 HB2 LYS A 28 3.905 13.941 -3.831 1.00 10.00 H new ATOM 0 HB3 LYS A 28 3.357 15.606 -3.823 1.00 10.00 H new ATOM 0 HG2 LYS A 28 4.547 16.066 -1.736 1.00 10.00 H new ATOM 0 HG3 LYS A 28 4.929 14.370 -1.518 1.00 10.00 H new ATOM 0 HD2 LYS A 28 6.293 14.415 -3.624 1.00 10.00 H new ATOM 0 HD3 LYS A 28 5.922 16.116 -3.822 1.00 10.00 H new ATOM 0 HE2 LYS A 28 8.071 16.070 -2.765 1.00 10.00 H new ATOM 0 HE3 LYS A 28 6.948 16.493 -1.487 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 7.269 14.550 -0.437 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 7.357 13.644 -1.870 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 8.716 14.503 -1.324 1.00 10.00 H new ATOM 414 N LYS A 29 3.257 12.261 -1.545 1.00 10.00 N ATOM 415 CA LYS A 29 3.656 10.903 -1.872 1.00 10.00 C ATOM 416 C LYS A 29 2.544 9.936 -1.460 1.00 10.00 C ATOM 417 O LYS A 29 2.233 8.995 -2.189 1.00 10.00 O ATOM 418 CB LYS A 29 5.015 10.579 -1.249 1.00 10.00 C ATOM 419 CG LYS A 29 6.137 11.347 -1.950 1.00 10.00 C ATOM 420 CD LYS A 29 6.640 10.584 -3.178 1.00 10.00 C ATOM 421 CE LYS A 29 7.191 11.545 -4.233 1.00 10.00 C ATOM 422 NZ LYS A 29 8.356 12.287 -3.701 1.00 10.00 N ATOM 0 H LYS A 29 3.812 12.704 -0.813 1.00 10.00 H new ATOM 0 HA LYS A 29 3.791 10.794 -2.948 1.00 10.00 H new ATOM 0 HB2 LYS A 29 5.003 10.833 -0.189 1.00 10.00 H new ATOM 0 HB3 LYS A 29 5.205 9.508 -1.318 1.00 10.00 H new ATOM 0 HG2 LYS A 29 5.776 12.331 -2.251 1.00 10.00 H new ATOM 0 HG3 LYS A 29 6.961 11.509 -1.255 1.00 10.00 H new ATOM 0 HD2 LYS A 29 7.418 9.881 -2.880 1.00 10.00 H new ATOM 0 HD3 LYS A 29 5.826 9.998 -3.605 1.00 10.00 H new ATOM 0 HE2 LYS A 29 7.483 10.988 -5.123 1.00 10.00 H new ATOM 0 HE3 LYS A 29 6.413 12.246 -4.536 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 8.197 13.309 -3.812 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 8.479 12.063 -2.693 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 9.212 12.011 -4.224 1.00 10.00 H new ATOM 435 N ALA A 30 1.976 10.200 -0.293 1.00 10.00 N ATOM 436 CA ALA A 30 1.163 9.206 0.386 1.00 10.00 C ATOM 437 C ALA A 30 0.172 9.912 1.315 1.00 10.00 C ATOM 438 O ALA A 30 0.102 11.139 1.336 1.00 10.00 O ATOM 439 CB ALA A 30 2.070 8.229 1.136 1.00 10.00 C ATOM 0 H ALA A 30 2.063 11.089 0.200 1.00 10.00 H new ATOM 0 HA ALA A 30 0.585 8.627 -0.334 1.00 10.00 H new ATOM 0 HB1 ALA A 30 1.459 7.483 1.645 1.00 10.00 H new ATOM 0 HB2 ALA A 30 2.734 7.732 0.428 1.00 10.00 H new ATOM 0 HB3 ALA A 30 2.664 8.774 1.870 1.00 10.00 H new ATOM 445 N SER A 31 -0.569 9.105 2.060 1.00 10.00 N ATOM 446 CA SER A 31 -1.642 9.627 2.889 1.00 10.00 C ATOM 447 C SER A 31 -1.072 10.176 4.198 1.00 10.00 C ATOM 448 O SER A 31 -1.653 11.076 4.803 1.00 10.00 O ATOM 449 CB SER A 31 -2.689 8.550 3.177 1.00 10.00 C ATOM 450 OG SER A 31 -3.302 8.068 1.984 1.00 10.00 O ATOM 0 H SER A 31 -0.447 8.093 2.107 1.00 10.00 H new ATOM 0 HA SER A 31 -2.131 10.435 2.346 1.00 10.00 H new ATOM 0 HB2 SER A 31 -2.219 7.720 3.704 1.00 10.00 H new ATOM 0 HB3 SER A 31 -3.454 8.956 3.839 1.00 10.00 H new ATOM 0 HG SER A 31 -3.963 7.381 2.210 1.00 10.00 H new ATOM 456 N GLY A 32 0.059 9.612 4.597 1.00 10.00 N ATOM 457 CA GLY A 32 0.693 10.006 5.844 1.00 10.00 C ATOM 458 C GLY A 32 1.914 9.133 6.138 1.00 10.00 C ATOM 459 O GLY A 32 2.414 8.440 5.253 1.00 10.00 O ATOM 0 H GLY A 32 0.553 8.885 4.079 1.00 10.00 H new ATOM 0 HA2 GLY A 32 0.994 11.052 5.788 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -0.023 9.924 6.662 1.00 10.00 H new ATOM 463 N GLY A 33 2.360 9.195 7.384 1.00 10.00 N ATOM 464 CA GLY A 33 3.270 8.189 7.904 1.00 10.00 C ATOM 465 C GLY A 33 4.182 8.779 8.982 1.00 10.00 C ATOM 466 O GLY A 33 3.869 9.815 9.565 1.00 10.00 O ATOM 0 H GLY A 33 2.108 9.926 8.049 1.00 10.00 H new ATOM 0 HA2 GLY A 33 2.700 7.358 8.320 1.00 10.00 H new ATOM 0 HA3 GLY A 33 3.875 7.786 7.092 1.00 10.00 H new ATOM 470 N HIS A 34 5.292 8.093 9.213 1.00 10.00 N ATOM 471 CA HIS A 34 6.082 8.330 10.409 1.00 10.00 C ATOM 472 C HIS A 34 7.565 8.122 10.093 1.00 10.00 C ATOM 473 O HIS A 34 7.915 7.684 8.998 1.00 10.00 O ATOM 474 CB HIS A 34 5.594 7.455 11.565 1.00 10.00 C ATOM 475 CG HIS A 34 4.114 7.571 11.840 1.00 10.00 C ATOM 476 ND1 HIS A 34 3.551 8.668 12.468 1.00 10.00 N ATOM 477 CD2 HIS A 34 3.087 6.716 11.565 1.00 10.00 C ATOM 478 CE1 HIS A 34 2.244 8.472 12.562 1.00 10.00 C ATOM 479 NE2 HIS A 34 1.958 7.262 12.002 1.00 10.00 N ATOM 0 H HIS A 34 5.663 7.373 8.592 1.00 10.00 H new ATOM 0 HA HIS A 34 5.956 9.363 10.734 1.00 10.00 H new ATOM 0 HB2 HIS A 34 5.832 6.414 11.345 1.00 10.00 H new ATOM 0 HB3 HIS A 34 6.143 7.724 12.467 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.177 5.758 11.075 1.00 10.00 H new ATOM 0 HE1 HIS A 34 1.530 9.151 13.004 1.00 10.00 H new ATOM 0 HE2 HIS A 34 1.030 6.845 11.931 1.00 10.00 H new ATOM 487 N CYS A 35 8.397 8.445 11.073 1.00 10.00 N ATOM 488 CA CYS A 35 9.835 8.341 10.898 1.00 10.00 C ATOM 489 C CYS A 35 10.314 7.069 11.601 1.00 10.00 C ATOM 490 O CYS A 35 10.428 7.038 12.826 1.00 10.00 O ATOM 491 CB CYS A 35 10.559 9.586 11.415 1.00 10.00 C ATOM 492 SG CYS A 35 12.372 9.579 11.164 1.00 10.00 S ATOM 0 H CYS A 35 8.102 8.779 11.991 1.00 10.00 H new ATOM 0 HA CYS A 35 10.071 8.279 9.836 1.00 10.00 H new ATOM 0 HB2 CYS A 35 10.141 10.463 10.921 1.00 10.00 H new ATOM 0 HB3 CYS A 35 10.354 9.692 12.480 1.00 10.00 H new ATOM 497 N TYR A 36 10.581 6.051 10.797 1.00 10.00 N ATOM 498 CA TYR A 36 10.960 4.754 11.331 1.00 10.00 C ATOM 499 C TYR A 36 12.466 4.523 11.193 1.00 10.00 C ATOM 500 O TYR A 36 13.012 4.608 10.094 1.00 10.00 O ATOM 501 CB TYR A 36 10.217 3.717 10.487 1.00 10.00 C ATOM 502 CG TYR A 36 10.418 2.274 10.956 1.00 10.00 C ATOM 503 CD1 TYR A 36 11.490 1.540 10.489 1.00 10.00 C ATOM 504 CD2 TYR A 36 9.528 1.707 11.845 1.00 10.00 C ATOM 505 CE1 TYR A 36 11.679 0.182 10.931 1.00 10.00 C ATOM 506 CE2 TYR A 36 9.717 0.349 12.286 1.00 10.00 C ATOM 507 CZ TYR A 36 10.783 -0.346 11.807 1.00 10.00 C ATOM 508 OH TYR A 36 10.962 -1.628 12.223 1.00 10.00 O ATOM 0 H TYR A 36 10.542 6.098 9.779 1.00 10.00 H new ATOM 0 HA TYR A 36 10.711 4.687 12.390 1.00 10.00 H new ATOM 0 HB2 TYR A 36 9.152 3.948 10.501 1.00 10.00 H new ATOM 0 HB3 TYR A 36 10.548 3.801 9.452 1.00 10.00 H new ATOM 0 HD1 TYR A 36 12.186 1.984 9.793 1.00 10.00 H new ATOM 0 HD2 TYR A 36 8.690 2.282 12.210 1.00 10.00 H new ATOM 0 HE1 TYR A 36 12.514 -0.404 10.575 1.00 10.00 H new ATOM 0 HE2 TYR A 36 9.028 -0.107 12.981 1.00 10.00 H new ATOM 0 HH TYR A 36 10.247 -1.872 12.848 1.00 10.00 H new ATOM 518 N ALA A 37 13.095 4.236 12.323 1.00 10.00 N ATOM 519 CA ALA A 37 14.509 3.902 12.329 1.00 10.00 C ATOM 520 C ALA A 37 15.256 4.850 11.388 1.00 10.00 C ATOM 521 O ALA A 37 15.985 4.404 10.503 1.00 10.00 O ATOM 522 CB ALA A 37 14.689 2.433 11.940 1.00 10.00 C ATOM 0 H ALA A 37 12.651 4.228 13.241 1.00 10.00 H new ATOM 0 HA ALA A 37 14.929 4.028 13.327 1.00 10.00 H new ATOM 0 HB1 ALA A 37 15.750 2.183 11.945 1.00 10.00 H new ATOM 0 HB2 ALA A 37 14.164 1.800 12.655 1.00 10.00 H new ATOM 0 HB3 ALA A 37 14.282 2.268 10.942 1.00 10.00 H new ATOM 528 N MET A 38 15.050 6.139 11.612 1.00 10.00 N ATOM 529 CA MET A 38 15.775 7.154 10.867 1.00 10.00 C ATOM 530 C MET A 38 15.550 6.995 9.362 1.00 10.00 C ATOM 531 O MET A 38 16.491 7.092 8.576 1.00 10.00 O ATOM 532 CB MET A 38 17.270 7.042 11.174 1.00 10.00 C ATOM 533 CG MET A 38 17.887 8.423 11.404 1.00 10.00 C ATOM 534 SD MET A 38 18.035 9.292 9.853 1.00 10.00 S ATOM 535 CE MET A 38 19.582 8.622 9.268 1.00 10.00 C ATOM 0 H MET A 38 14.391 6.504 12.299 1.00 10.00 H new ATOM 0 HA MET A 38 15.405 8.134 11.169 1.00 10.00 H new ATOM 0 HB2 MET A 38 17.418 6.422 12.058 1.00 10.00 H new ATOM 0 HB3 MET A 38 17.779 6.546 10.348 1.00 10.00 H new ATOM 0 HG2 MET A 38 17.268 8.997 12.094 1.00 10.00 H new ATOM 0 HG3 MET A 38 18.868 8.319 11.867 1.00 10.00 H new ATOM 0 HE1 MET A 38 19.853 9.101 8.327 1.00 10.00 H new ATOM 0 HE2 MET A 38 20.361 8.807 10.007 1.00 10.00 H new ATOM 0 HE3 MET A 38 19.478 7.548 9.112 1.00 10.00 H new ATOM 545 N SER A 39 14.297 6.753 9.006 1.00 10.00 N ATOM 546 CA SER A 39 13.916 6.687 7.605 1.00 10.00 C ATOM 547 C SER A 39 12.413 6.934 7.459 1.00 10.00 C ATOM 548 O SER A 39 11.620 6.456 8.269 1.00 10.00 O ATOM 549 CB SER A 39 14.294 5.336 6.995 1.00 10.00 C ATOM 550 OG SER A 39 15.642 5.318 6.532 1.00 10.00 O ATOM 0 H SER A 39 13.532 6.600 9.664 1.00 10.00 H new ATOM 0 HA SER A 39 14.459 7.463 7.066 1.00 10.00 H new ATOM 0 HB2 SER A 39 14.155 4.551 7.738 1.00 10.00 H new ATOM 0 HB3 SER A 39 13.623 5.112 6.166 1.00 10.00 H new ATOM 0 HG SER A 39 16.179 5.943 7.063 1.00 10.00 H new ATOM 556 N CYS A 40 12.066 7.679 6.420 1.00 10.00 N ATOM 557 CA CYS A 40 10.726 8.229 6.308 1.00 10.00 C ATOM 558 C CYS A 40 9.795 7.126 5.801 1.00 10.00 C ATOM 559 O CYS A 40 9.798 6.802 4.614 1.00 10.00 O ATOM 560 CB CYS A 40 10.695 9.462 5.402 1.00 10.00 C ATOM 561 SG CYS A 40 9.021 10.117 5.055 1.00 10.00 S ATOM 0 H CYS A 40 12.690 7.915 5.648 1.00 10.00 H new ATOM 0 HA CYS A 40 10.387 8.569 7.287 1.00 10.00 H new ATOM 0 HB2 CYS A 40 11.290 10.250 5.864 1.00 10.00 H new ATOM 0 HB3 CYS A 40 11.176 9.213 4.456 1.00 10.00 H new ATOM 566 N TYR A 41 9.021 6.578 6.726 1.00 10.00 N ATOM 567 CA TYR A 41 8.076 5.528 6.386 1.00 10.00 C ATOM 568 C TYR A 41 6.697 6.113 6.072 1.00 10.00 C ATOM 569 O TYR A 41 5.928 6.421 6.981 1.00 10.00 O ATOM 570 CB TYR A 41 7.969 4.638 7.626 1.00 10.00 C ATOM 571 CG TYR A 41 7.038 3.437 7.451 1.00 10.00 C ATOM 572 CD1 TYR A 41 7.474 2.320 6.767 1.00 10.00 C ATOM 573 CD2 TYR A 41 5.763 3.469 7.977 1.00 10.00 C ATOM 574 CE1 TYR A 41 6.598 1.189 6.602 1.00 10.00 C ATOM 575 CE2 TYR A 41 4.887 2.338 7.812 1.00 10.00 C ATOM 576 CZ TYR A 41 5.348 1.254 7.133 1.00 10.00 C ATOM 577 OH TYR A 41 4.520 0.186 6.977 1.00 10.00 O ATOM 0 H TYR A 41 9.029 6.842 7.711 1.00 10.00 H new ATOM 0 HA TYR A 41 8.412 4.979 5.506 1.00 10.00 H new ATOM 0 HB2 TYR A 41 8.964 4.278 7.889 1.00 10.00 H new ATOM 0 HB3 TYR A 41 7.616 5.240 8.463 1.00 10.00 H new ATOM 0 HD1 TYR A 41 8.472 2.294 6.356 1.00 10.00 H new ATOM 0 HD2 TYR A 41 5.422 4.343 8.513 1.00 10.00 H new ATOM 0 HE1 TYR A 41 6.926 0.309 6.069 1.00 10.00 H new ATOM 0 HE2 TYR A 41 3.886 2.351 8.218 1.00 10.00 H new ATOM 0 HH TYR A 41 3.660 0.373 7.408 1.00 10.00 H new ATOM 587 N CYS A 42 6.427 6.248 4.782 1.00 10.00 N ATOM 588 CA CYS A 42 5.163 6.812 4.337 1.00 10.00 C ATOM 589 C CYS A 42 4.152 5.672 4.198 1.00 10.00 C ATOM 590 O CYS A 42 4.533 4.506 4.106 1.00 10.00 O ATOM 591 CB CYS A 42 5.322 7.596 3.033 1.00 10.00 C ATOM 592 SG CYS A 42 6.140 9.224 3.212 1.00 10.00 S ATOM 0 H CYS A 42 7.061 5.977 4.031 1.00 10.00 H new ATOM 0 HA CYS A 42 4.802 7.529 5.074 1.00 10.00 H new ATOM 0 HB2 CYS A 42 5.896 6.992 2.330 1.00 10.00 H new ATOM 0 HB3 CYS A 42 4.336 7.747 2.593 1.00 10.00 H new ATOM 597 N GLU A 43 2.882 6.049 4.186 1.00 10.00 N ATOM 598 CA GLU A 43 1.810 5.070 4.227 1.00 10.00 C ATOM 599 C GLU A 43 0.737 5.414 3.192 1.00 10.00 C ATOM 600 O GLU A 43 0.322 6.566 3.082 1.00 10.00 O ATOM 601 CB GLU A 43 1.207 4.974 5.630 1.00 10.00 C ATOM 602 CG GLU A 43 2.213 4.382 6.619 1.00 10.00 C ATOM 603 CD GLU A 43 1.572 4.171 7.992 1.00 10.00 C ATOM 604 OE1 GLU A 43 1.576 5.089 8.826 1.00 10.00 O ATOM 605 OE2 GLU A 43 1.056 3.003 8.180 1.00 10.00 O ATOM 0 H GLU A 43 2.571 7.020 4.148 1.00 10.00 H new ATOM 0 HA GLU A 43 2.227 4.094 3.979 1.00 10.00 H new ATOM 0 HB2 GLU A 43 0.900 5.964 5.967 1.00 10.00 H new ATOM 0 HB3 GLU A 43 0.310 4.355 5.603 1.00 10.00 H new ATOM 0 HG2 GLU A 43 2.587 3.432 6.238 1.00 10.00 H new ATOM 0 HG3 GLU A 43 3.071 5.047 6.713 1.00 10.00 H new ATOM 613 N GLY A 44 0.318 4.393 2.459 1.00 10.00 N ATOM 614 CA GLY A 44 -0.661 4.582 1.401 1.00 10.00 C ATOM 615 C GLY A 44 0.006 5.091 0.122 1.00 10.00 C ATOM 616 O GLY A 44 -0.408 6.106 -0.436 1.00 10.00 O ATOM 0 H GLY A 44 0.638 3.432 2.577 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -1.171 3.640 1.200 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -1.421 5.292 1.727 1.00 10.00 H new ATOM 620 N LEU A 45 1.027 4.363 -0.305 1.00 10.00 N ATOM 621 CA LEU A 45 1.823 4.786 -1.445 1.00 10.00 C ATOM 622 C LEU A 45 1.194 4.245 -2.730 1.00 10.00 C ATOM 623 O LEU A 45 0.457 3.262 -2.699 1.00 10.00 O ATOM 624 CB LEU A 45 3.286 4.379 -1.257 1.00 10.00 C ATOM 625 CG LEU A 45 4.062 5.142 -0.183 1.00 10.00 C ATOM 626 CD1 LEU A 45 5.145 4.260 0.443 1.00 10.00 C ATOM 627 CD2 LEU A 45 4.638 6.445 -0.743 1.00 10.00 C ATOM 0 H LEU A 45 1.322 3.483 0.118 1.00 10.00 H new ATOM 0 HA LEU A 45 1.826 5.873 -1.525 1.00 10.00 H new ATOM 0 HB2 LEU A 45 3.319 3.317 -1.015 1.00 10.00 H new ATOM 0 HB3 LEU A 45 3.803 4.505 -2.209 1.00 10.00 H new ATOM 0 HG LEU A 45 3.367 5.412 0.612 1.00 10.00 H new ATOM 0 HD11 LEU A 45 5.682 4.827 1.203 1.00 10.00 H new ATOM 0 HD12 LEU A 45 4.682 3.386 0.901 1.00 10.00 H new ATOM 0 HD13 LEU A 45 5.843 3.938 -0.329 1.00 10.00 H new ATOM 0 HD21 LEU A 45 5.185 6.968 0.042 1.00 10.00 H new ATOM 0 HD22 LEU A 45 5.314 6.219 -1.568 1.00 10.00 H new ATOM 0 HD23 LEU A 45 3.826 7.077 -1.102 1.00 10.00 H new ATOM 639 N PRO A 46 1.517 4.930 -3.860 1.00 10.00 N ATOM 640 CA PRO A 46 1.357 4.326 -5.172 1.00 10.00 C ATOM 641 C PRO A 46 2.456 3.296 -5.440 1.00 10.00 C ATOM 642 O PRO A 46 3.603 3.488 -5.040 1.00 10.00 O ATOM 643 CB PRO A 46 1.384 5.492 -6.147 1.00 10.00 C ATOM 644 CG PRO A 46 2.022 6.649 -5.396 1.00 10.00 C ATOM 645 CD PRO A 46 2.042 6.291 -3.919 1.00 10.00 C ATOM 0 HA PRO A 46 0.427 3.766 -5.267 1.00 10.00 H new ATOM 0 HB2 PRO A 46 1.958 5.242 -7.039 1.00 10.00 H new ATOM 0 HB3 PRO A 46 0.377 5.748 -6.477 1.00 10.00 H new ATOM 0 HG2 PRO A 46 3.034 6.828 -5.759 1.00 10.00 H new ATOM 0 HG3 PRO A 46 1.458 7.567 -5.559 1.00 10.00 H new ATOM 0 HD2 PRO A 46 3.052 6.344 -3.512 1.00 10.00 H new ATOM 0 HD3 PRO A 46 1.428 6.978 -3.337 1.00 10.00 H new ATOM 653 N GLU A 47 2.067 2.226 -6.117 1.00 10.00 N ATOM 654 CA GLU A 47 2.986 1.132 -6.381 1.00 10.00 C ATOM 655 C GLU A 47 3.864 1.457 -7.591 1.00 10.00 C ATOM 656 O GLU A 47 4.940 0.883 -7.754 1.00 10.00 O ATOM 657 CB GLU A 47 2.231 -0.182 -6.589 1.00 10.00 C ATOM 658 CG GLU A 47 1.552 -0.635 -5.294 1.00 10.00 C ATOM 659 CD GLU A 47 0.785 -1.942 -5.506 1.00 10.00 C ATOM 660 OE1 GLU A 47 0.778 -2.483 -6.621 1.00 10.00 O ATOM 661 OE2 GLU A 47 0.181 -2.395 -4.459 1.00 10.00 O ATOM 0 H GLU A 47 1.127 2.093 -6.491 1.00 10.00 H new ATOM 0 HA GLU A 47 3.631 1.008 -5.511 1.00 10.00 H new ATOM 0 HB2 GLU A 47 1.483 -0.056 -7.371 1.00 10.00 H new ATOM 0 HB3 GLU A 47 2.922 -0.953 -6.930 1.00 10.00 H new ATOM 0 HG2 GLU A 47 2.302 -0.771 -4.514 1.00 10.00 H new ATOM 0 HG3 GLU A 47 0.868 0.140 -4.947 1.00 10.00 H new ATOM 669 N ASN A 48 3.373 2.377 -8.408 1.00 10.00 N ATOM 670 CA ASN A 48 4.064 2.734 -9.635 1.00 10.00 C ATOM 671 C ASN A 48 5.264 3.622 -9.299 1.00 10.00 C ATOM 672 O ASN A 48 6.173 3.778 -10.112 1.00 10.00 O ATOM 673 CB ASN A 48 3.147 3.516 -10.577 1.00 10.00 C ATOM 674 CG ASN A 48 2.589 4.764 -9.889 1.00 10.00 C ATOM 675 OD1 ASN A 48 3.278 5.749 -9.679 1.00 10.00 O ATOM 676 ND2 ASN A 48 1.307 4.667 -9.550 1.00 10.00 N ATOM 0 H ASN A 48 2.504 2.886 -8.244 1.00 10.00 H new ATOM 0 HA ASN A 48 4.381 1.813 -10.123 1.00 10.00 H new ATOM 0 HB2 ASN A 48 3.700 3.806 -11.471 1.00 10.00 H new ATOM 0 HB3 ASN A 48 2.325 2.878 -10.903 1.00 10.00 H new ATOM 0 HD21 ASN A 48 0.842 5.447 -9.085 1.00 10.00 H new ATOM 0 HD22 ASN A 48 0.788 3.813 -9.755 1.00 10.00 H new ATOM 683 N ALA A 49 5.228 4.181 -8.098 1.00 10.00 N ATOM 684 CA ALA A 49 6.354 4.949 -7.596 1.00 10.00 C ATOM 685 C ALA A 49 7.388 3.995 -6.993 1.00 10.00 C ATOM 686 O ALA A 49 7.032 2.947 -6.458 1.00 10.00 O ATOM 687 CB ALA A 49 5.857 5.985 -6.585 1.00 10.00 C ATOM 0 H ALA A 49 4.436 4.117 -7.458 1.00 10.00 H new ATOM 0 HA ALA A 49 6.839 5.492 -8.407 1.00 10.00 H new ATOM 0 HB1 ALA A 49 6.702 6.561 -6.209 1.00 10.00 H new ATOM 0 HB2 ALA A 49 5.148 6.656 -7.070 1.00 10.00 H new ATOM 0 HB3 ALA A 49 5.366 5.477 -5.755 1.00 10.00 H new ATOM 693 N LYS A 50 8.647 4.394 -7.100 1.00 10.00 N ATOM 694 CA LYS A 50 9.734 3.585 -6.576 1.00 10.00 C ATOM 695 C LYS A 50 9.800 3.748 -5.056 1.00 10.00 C ATOM 696 O LYS A 50 10.208 4.796 -4.558 1.00 10.00 O ATOM 697 CB LYS A 50 11.045 3.925 -7.288 1.00 10.00 C ATOM 698 CG LYS A 50 12.072 2.804 -7.110 1.00 10.00 C ATOM 699 CD LYS A 50 12.904 3.018 -5.844 1.00 10.00 C ATOM 700 CE LYS A 50 13.826 1.826 -5.585 1.00 10.00 C ATOM 701 NZ LYS A 50 14.479 1.952 -4.263 1.00 10.00 N ATOM 0 H LYS A 50 8.938 5.266 -7.541 1.00 10.00 H new ATOM 0 HA LYS A 50 9.553 2.529 -6.776 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.856 4.085 -8.350 1.00 10.00 H new ATOM 0 HB3 LYS A 50 11.447 4.858 -6.892 1.00 10.00 H new ATOM 0 HG2 LYS A 50 11.561 1.843 -7.055 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.729 2.766 -7.979 1.00 10.00 H new ATOM 0 HD2 LYS A 50 13.498 3.926 -5.944 1.00 10.00 H new ATOM 0 HD3 LYS A 50 12.242 3.163 -4.990 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.253 0.900 -5.627 1.00 10.00 H new ATOM 0 HE3 LYS A 50 14.583 1.768 -6.367 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 15.101 1.134 -4.104 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 15.042 2.826 -4.236 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 13.753 1.985 -3.519 1.00 10.00 H new ATOM 714 N VAL A 51 9.392 2.696 -4.362 1.00 10.00 N ATOM 715 CA VAL A 51 9.482 2.675 -2.912 1.00 10.00 C ATOM 716 C VAL A 51 10.107 1.352 -2.464 1.00 10.00 C ATOM 717 O VAL A 51 9.993 0.342 -3.156 1.00 10.00 O ATOM 718 CB VAL A 51 8.104 2.924 -2.298 1.00 10.00 C ATOM 719 CG1 VAL A 51 7.381 4.066 -3.016 1.00 10.00 C ATOM 720 CG2 VAL A 51 7.260 1.648 -2.309 1.00 10.00 C ATOM 0 H VAL A 51 8.998 1.852 -4.777 1.00 10.00 H new ATOM 0 HA VAL A 51 10.129 3.477 -2.558 1.00 10.00 H new ATOM 0 HB VAL A 51 8.249 3.221 -1.259 1.00 10.00 H new ATOM 0 HG11 VAL A 51 6.404 4.222 -2.559 1.00 10.00 H new ATOM 0 HG12 VAL A 51 7.970 4.979 -2.933 1.00 10.00 H new ATOM 0 HG13 VAL A 51 7.253 3.811 -4.068 1.00 10.00 H new ATOM 0 HG21 VAL A 51 6.285 1.853 -1.867 1.00 10.00 H new ATOM 0 HG22 VAL A 51 7.128 1.308 -3.336 1.00 10.00 H new ATOM 0 HG23 VAL A 51 7.765 0.873 -1.732 1.00 10.00 H new ATOM 730 N SER A 52 10.752 1.401 -1.308 1.00 10.00 N ATOM 731 CA SER A 52 11.092 0.185 -0.588 1.00 10.00 C ATOM 732 C SER A 52 9.986 -0.157 0.413 1.00 10.00 C ATOM 733 O SER A 52 9.237 0.721 0.839 1.00 10.00 O ATOM 734 CB SER A 52 12.434 0.328 0.132 1.00 10.00 C ATOM 735 OG SER A 52 12.679 -0.755 1.025 1.00 10.00 O ATOM 0 H SER A 52 11.048 2.264 -0.852 1.00 10.00 H new ATOM 0 HA SER A 52 11.183 -0.626 -1.310 1.00 10.00 H new ATOM 0 HB2 SER A 52 13.236 0.380 -0.604 1.00 10.00 H new ATOM 0 HB3 SER A 52 12.450 1.266 0.687 1.00 10.00 H new ATOM 0 HG SER A 52 13.478 -1.243 0.736 1.00 10.00 H new ATOM 741 N ASP A 53 9.919 -1.434 0.758 1.00 10.00 N ATOM 742 CA ASP A 53 9.234 -1.846 1.972 1.00 10.00 C ATOM 743 C ASP A 53 10.050 -2.938 2.667 1.00 10.00 C ATOM 744 O ASP A 53 9.498 -3.759 3.398 1.00 10.00 O ATOM 745 CB ASP A 53 7.851 -2.418 1.656 1.00 10.00 C ATOM 746 CG ASP A 53 7.847 -3.609 0.695 1.00 10.00 C ATOM 747 OD1 ASP A 53 6.801 -4.226 0.446 1.00 10.00 O ATOM 748 OD2 ASP A 53 8.995 -3.901 0.185 1.00 10.00 O ATOM 0 H ASP A 53 10.328 -2.197 0.219 1.00 10.00 H new ATOM 0 HA ASP A 53 9.125 -0.970 2.612 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.378 -2.723 2.590 1.00 10.00 H new ATOM 0 HB3 ASP A 53 7.235 -1.625 1.231 1.00 10.00 H new ATOM 754 N SER A 54 11.350 -2.912 2.415 1.00 10.00 N ATOM 755 CA SER A 54 12.219 -3.992 2.850 1.00 10.00 C ATOM 756 C SER A 54 13.416 -3.426 3.616 1.00 10.00 C ATOM 757 O SER A 54 14.538 -3.431 3.113 1.00 10.00 O ATOM 758 CB SER A 54 12.697 -4.827 1.660 1.00 10.00 C ATOM 759 OG SER A 54 13.123 -4.011 0.572 1.00 10.00 O ATOM 0 H SER A 54 11.823 -2.159 1.915 1.00 10.00 H new ATOM 0 HA SER A 54 11.649 -4.644 3.512 1.00 10.00 H new ATOM 0 HB2 SER A 54 13.519 -5.470 1.975 1.00 10.00 H new ATOM 0 HB3 SER A 54 11.890 -5.481 1.329 1.00 10.00 H new ATOM 0 HG SER A 54 13.809 -3.384 0.882 1.00 10.00 H new ATOM 765 N ALA A 55 13.135 -2.952 4.821 1.00 10.00 N ATOM 766 CA ALA A 55 14.157 -2.877 5.852 1.00 10.00 C ATOM 767 C ALA A 55 15.297 -1.977 5.370 1.00 10.00 C ATOM 768 O ALA A 55 16.464 -2.361 5.432 1.00 10.00 O ATOM 769 CB ALA A 55 14.635 -4.288 6.200 1.00 10.00 C ATOM 0 H ALA A 55 12.215 -2.616 5.107 1.00 10.00 H new ATOM 0 HA ALA A 55 13.752 -2.436 6.763 1.00 10.00 H new ATOM 0 HB1 ALA A 55 15.401 -4.232 6.973 1.00 10.00 H new ATOM 0 HB2 ALA A 55 13.794 -4.877 6.565 1.00 10.00 H new ATOM 0 HB3 ALA A 55 15.051 -4.761 5.310 1.00 10.00 H new ATOM 775 N THR A 56 14.918 -0.797 4.901 1.00 10.00 N ATOM 776 CA THR A 56 15.843 0.323 4.859 1.00 10.00 C ATOM 777 C THR A 56 17.065 -0.026 4.007 1.00 10.00 C ATOM 778 O THR A 56 18.201 0.175 4.432 1.00 10.00 O ATOM 779 CB THR A 56 16.195 0.699 6.300 1.00 10.00 C ATOM 780 OG1 THR A 56 14.947 0.652 6.986 1.00 10.00 O ATOM 781 CG2 THR A 56 16.637 2.158 6.432 1.00 10.00 C ATOM 0 H THR A 56 13.984 -0.592 4.547 1.00 10.00 H new ATOM 0 HA THR A 56 15.390 1.192 4.382 1.00 10.00 H new ATOM 0 HB THR A 56 16.988 0.044 6.663 1.00 10.00 H new ATOM 0 HG1 THR A 56 15.083 0.881 7.929 1.00 10.00 H new ATOM 0 HG21 THR A 56 16.875 2.373 7.474 1.00 10.00 H new ATOM 0 HG22 THR A 56 17.520 2.328 5.815 1.00 10.00 H new ATOM 0 HG23 THR A 56 15.831 2.814 6.101 1.00 10.00 H new ATOM 789 N ASN A 57 16.789 -0.542 2.818 1.00 10.00 N ATOM 790 CA ASN A 57 17.849 -1.004 1.938 1.00 10.00 C ATOM 791 C ASN A 57 18.306 0.152 1.046 1.00 10.00 C ATOM 792 O ASN A 57 19.291 0.029 0.320 1.00 10.00 O ATOM 793 CB ASN A 57 17.360 -2.135 1.032 1.00 10.00 C ATOM 794 CG ASN A 57 16.184 -1.675 0.167 1.00 10.00 C ATOM 795 OD1 ASN A 57 14.996 -2.069 0.616 1.00 10.00 O flip ATOM 796 ND2 ASN A 57 16.346 -1.007 -0.840 1.00 10.00 N flip ATOM 0 H ASN A 57 15.846 -0.650 2.444 1.00 10.00 H new ATOM 0 HA ASN A 57 18.667 -1.368 2.559 1.00 10.00 H new ATOM 0 HB2 ASN A 57 18.176 -2.473 0.393 1.00 10.00 H new ATOM 0 HB3 ASN A 57 17.057 -2.988 1.640 1.00 10.00 H new ATOM 0 HD21 ASN A 57 17.287 -0.739 -1.128 1.00 10.00 H new ATOM 0 HD22 ASN A 57 15.541 -0.716 -1.394 1.00 10.00 H new ATOM 803 N ILE A 58 17.568 1.250 1.130 1.00 10.00 N ATOM 804 CA ILE A 58 17.899 2.434 0.357 1.00 10.00 C ATOM 805 C ILE A 58 19.124 3.114 0.971 1.00 10.00 C ATOM 806 O ILE A 58 19.362 3.002 2.173 1.00 10.00 O ATOM 807 CB ILE A 58 16.681 3.353 0.237 1.00 10.00 C ATOM 808 CG1 ILE A 58 15.532 2.649 -0.488 1.00 10.00 C ATOM 809 CG2 ILE A 58 17.056 4.677 -0.433 1.00 10.00 C ATOM 810 CD1 ILE A 58 14.187 3.286 -0.132 1.00 10.00 C ATOM 0 H ILE A 58 16.742 1.344 1.722 1.00 10.00 H new ATOM 0 HA ILE A 58 18.165 2.160 -0.664 1.00 10.00 H new ATOM 0 HB ILE A 58 16.331 3.589 1.242 1.00 10.00 H new ATOM 0 HG12 ILE A 58 15.690 2.702 -1.565 1.00 10.00 H new ATOM 0 HG13 ILE A 58 15.521 1.593 -0.219 1.00 10.00 H new ATOM 0 HG21 ILE A 58 16.172 5.311 -0.506 1.00 10.00 H new ATOM 0 HG22 ILE A 58 17.817 5.182 0.161 1.00 10.00 H new ATOM 0 HG23 ILE A 58 17.446 4.482 -1.432 1.00 10.00 H new ATOM 0 HD11 ILE A 58 13.387 2.767 -0.661 1.00 10.00 H new ATOM 0 HD12 ILE A 58 14.021 3.209 0.943 1.00 10.00 H new ATOM 0 HD13 ILE A 58 14.193 4.336 -0.424 1.00 10.00 H new