USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 403 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 108:sc= 1.16 USER MOD Set 1.2: A 54 SER OG : rot 44:sc= 0.829 USER MOD Set 1.3: A 57 ASN :FLIP amide:sc= -0.615! C(o=-1.3!,f=1.4!) USER MOD Set 2.1: A 8 SER OG : rot 140:sc= 0.868 USER MOD Set 2.2: A 9 LYS NZ :NH3+ 146:sc= -0.793 (180deg=-0.108) USER MOD Set 2.3: A 29 LYS NZ :NH3+ -179:sc= 0.938 (180deg=0.00689) USER MOD Single : A 1 LYS N :NH3+ -156:sc= 0.545 (180deg=-0.0851) USER MOD Single : A 1 LYS NZ :NH3+ -171:sc= 1.5 (180deg=1.4) USER MOD Single : A 4 TYR OH : rot -14:sc= 0.719 USER MOD Single : A 12 LYS NZ :NH3+ 161:sc= 0.207 (180deg=-0.908) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.958 K(o=-0.96,f=-1.6) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -0.061 F(o=-0.65,f=-0.061) USER MOD Single : A 24 GLN : amide:sc= -0.011 K(o=-0.011,f=-1.3) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0.175 (180deg=0.151) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc=-0.00159 (180deg=-0.129) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= 0.912 K(o=0.91,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 47:sc= 1.11 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.542 K(o=-0.54,f=-7.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.196 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 0.306 1.411 1.00 10.00 C ATOM 4 O LYS A 1 1.196 0.759 2.263 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.958 -1.066 1.00 10.00 C ATOM 6 CG LYS A 1 1.323 0.700 -2.419 1.00 10.00 C ATOM 7 CD LYS A 1 2.149 1.298 -3.560 1.00 10.00 C ATOM 8 CE LYS A 1 2.444 2.778 -3.305 1.00 10.00 C ATOM 9 NZ LYS A 1 2.836 3.452 -4.563 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 -0.580 -0.791 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 -0.395 0.897 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 0.975 -0.107 1.00 10.00 H new ATOM 0 HA LYS A 1 1.833 -0.985 -0.269 1.00 10.00 H new ATOM 0 HB2 LYS A 1 1.809 1.988 -0.758 1.00 10.00 H new ATOM 0 HB3 LYS A 1 3.068 0.837 -1.159 1.00 10.00 H new ATOM 0 HG2 LYS A 1 1.207 -0.373 -2.573 1.00 10.00 H new ATOM 0 HG3 LYS A 1 0.322 1.132 -2.424 1.00 10.00 H new ATOM 0 HD2 LYS A 1 3.085 0.749 -3.663 1.00 10.00 H new ATOM 0 HD3 LYS A 1 1.610 1.188 -4.501 1.00 10.00 H new ATOM 0 HE2 LYS A 1 1.563 3.263 -2.885 1.00 10.00 H new ATOM 0 HE3 LYS A 1 3.243 2.874 -2.570 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 3.178 4.411 -4.351 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 3.592 2.909 -5.027 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 2.013 3.510 -5.196 1.00 10.00 H new ATOM 22 N ASP A 2 3.242 0.045 1.615 1.00 10.00 N ATOM 23 CA ASP A 2 3.881 0.376 2.877 1.00 10.00 C ATOM 24 C ASP A 2 5.342 0.750 2.621 1.00 10.00 C ATOM 25 O ASP A 2 6.025 0.098 1.833 1.00 10.00 O ATOM 26 CB ASP A 2 3.860 -0.817 3.835 1.00 10.00 C ATOM 27 CG ASP A 2 2.503 -1.511 3.973 1.00 10.00 C ATOM 28 OD1 ASP A 2 1.765 -1.282 4.943 1.00 10.00 O ATOM 29 OD2 ASP A 2 2.208 -2.328 3.019 1.00 10.00 O ATOM 0 H ASP A 2 3.856 -0.392 0.928 1.00 10.00 H new ATOM 0 HA ASP A 2 3.335 1.207 3.323 1.00 10.00 H new ATOM 0 HB2 ASP A 2 4.593 -1.549 3.496 1.00 10.00 H new ATOM 0 HB3 ASP A 2 4.180 -0.478 4.820 1.00 10.00 H new ATOM 35 N GLY A 3 5.779 1.799 3.302 1.00 10.00 N ATOM 36 CA GLY A 3 7.134 2.295 3.125 1.00 10.00 C ATOM 37 C GLY A 3 7.234 3.769 3.521 1.00 10.00 C ATOM 38 O GLY A 3 6.521 4.226 4.413 1.00 10.00 O ATOM 0 H GLY A 3 5.219 2.319 3.977 1.00 10.00 H new ATOM 0 HA2 GLY A 3 7.823 1.705 3.729 1.00 10.00 H new ATOM 0 HA3 GLY A 3 7.437 2.173 2.085 1.00 10.00 H new ATOM 42 N TYR A 4 8.125 4.473 2.838 1.00 10.00 N ATOM 43 CA TYR A 4 8.431 5.847 3.200 1.00 10.00 C ATOM 44 C TYR A 4 7.962 6.817 2.114 1.00 10.00 C ATOM 45 O TYR A 4 8.600 6.940 1.069 1.00 10.00 O ATOM 46 CB TYR A 4 9.955 5.924 3.313 1.00 10.00 C ATOM 47 CG TYR A 4 10.578 4.778 4.112 1.00 10.00 C ATOM 48 CD1 TYR A 4 10.428 4.731 5.483 1.00 10.00 C ATOM 49 CD2 TYR A 4 11.291 3.791 3.461 1.00 10.00 C ATOM 50 CE1 TYR A 4 11.016 3.652 6.235 1.00 10.00 C ATOM 51 CE2 TYR A 4 11.878 2.712 4.213 1.00 10.00 C ATOM 52 CZ TYR A 4 11.711 2.696 5.562 1.00 10.00 C ATOM 53 OH TYR A 4 12.266 1.677 6.272 1.00 10.00 O ATOM 0 H TYR A 4 8.645 4.118 2.036 1.00 10.00 H new ATOM 0 HA TYR A 4 7.929 6.121 4.128 1.00 10.00 H new ATOM 0 HB2 TYR A 4 10.384 5.930 2.311 1.00 10.00 H new ATOM 0 HB3 TYR A 4 10.227 6.870 3.781 1.00 10.00 H new ATOM 0 HD1 TYR A 4 9.870 5.503 5.992 1.00 10.00 H new ATOM 0 HD2 TYR A 4 11.409 3.828 2.388 1.00 10.00 H new ATOM 0 HE1 TYR A 4 10.907 3.603 7.308 1.00 10.00 H new ATOM 0 HE2 TYR A 4 12.438 1.933 3.717 1.00 10.00 H new ATOM 0 HH TYR A 4 12.265 1.904 7.225 1.00 10.00 H new ATOM 63 N PRO A 5 6.822 7.498 2.405 1.00 10.00 N ATOM 64 CA PRO A 5 6.118 8.253 1.382 1.00 10.00 C ATOM 65 C PRO A 5 6.854 9.554 1.056 1.00 10.00 C ATOM 66 O PRO A 5 7.530 10.120 1.914 1.00 10.00 O ATOM 67 CB PRO A 5 4.727 8.483 1.949 1.00 10.00 C ATOM 68 CG PRO A 5 4.845 8.258 3.448 1.00 10.00 C ATOM 69 CD PRO A 5 6.174 7.569 3.712 1.00 10.00 C ATOM 0 HA PRO A 5 6.063 7.722 0.431 1.00 10.00 H new ATOM 0 HB2 PRO A 5 4.379 9.493 1.732 1.00 10.00 H new ATOM 0 HB3 PRO A 5 4.006 7.795 1.506 1.00 10.00 H new ATOM 0 HG2 PRO A 5 4.794 9.207 3.982 1.00 10.00 H new ATOM 0 HG3 PRO A 5 4.019 7.645 3.808 1.00 10.00 H new ATOM 0 HD2 PRO A 5 6.778 8.133 4.423 1.00 10.00 H new ATOM 0 HD3 PRO A 5 6.027 6.575 4.136 1.00 10.00 H new ATOM 77 N VAL A 6 6.697 9.991 -0.185 1.00 10.00 N ATOM 78 CA VAL A 6 7.150 11.315 -0.575 1.00 10.00 C ATOM 79 C VAL A 6 6.077 11.983 -1.436 1.00 10.00 C ATOM 80 O VAL A 6 5.608 11.401 -2.413 1.00 10.00 O ATOM 81 CB VAL A 6 8.506 11.218 -1.278 1.00 10.00 C ATOM 82 CG1 VAL A 6 9.651 11.215 -0.262 1.00 10.00 C ATOM 83 CG2 VAL A 6 8.569 9.984 -2.180 1.00 10.00 C ATOM 0 H VAL A 6 6.262 9.451 -0.933 1.00 10.00 H new ATOM 0 HA VAL A 6 7.299 11.942 0.304 1.00 10.00 H new ATOM 0 HB VAL A 6 8.621 12.099 -1.909 1.00 10.00 H new ATOM 0 HG11 VAL A 6 10.603 11.145 -0.787 1.00 10.00 H new ATOM 0 HG12 VAL A 6 9.624 12.137 0.319 1.00 10.00 H new ATOM 0 HG13 VAL A 6 9.542 10.361 0.406 1.00 10.00 H new ATOM 0 HG21 VAL A 6 9.543 9.939 -2.667 1.00 10.00 H new ATOM 0 HG22 VAL A 6 8.422 9.086 -1.579 1.00 10.00 H new ATOM 0 HG23 VAL A 6 7.787 10.046 -2.937 1.00 10.00 H new ATOM 93 N ASP A 7 5.718 13.197 -1.043 1.00 10.00 N ATOM 94 CA ASP A 7 4.797 13.997 -1.831 1.00 10.00 C ATOM 95 C ASP A 7 4.770 15.425 -1.282 1.00 10.00 C ATOM 96 O ASP A 7 5.281 16.347 -1.914 1.00 10.00 O ATOM 97 CB ASP A 7 3.376 13.435 -1.757 1.00 10.00 C ATOM 98 CG ASP A 7 3.069 12.618 -0.501 1.00 10.00 C ATOM 99 OD1 ASP A 7 2.557 11.491 -0.580 1.00 10.00 O ATOM 100 OD2 ASP A 7 3.380 13.192 0.612 1.00 10.00 O ATOM 0 H ASP A 7 6.049 13.645 -0.189 1.00 10.00 H new ATOM 0 HA ASP A 7 5.137 13.981 -2.866 1.00 10.00 H new ATOM 0 HB2 ASP A 7 2.670 14.264 -1.815 1.00 10.00 H new ATOM 0 HB3 ASP A 7 3.203 12.808 -2.632 1.00 10.00 H new ATOM 106 N SER A 8 4.167 15.562 -0.110 1.00 10.00 N ATOM 107 CA SER A 8 4.023 16.869 0.510 1.00 10.00 C ATOM 108 C SER A 8 5.263 17.191 1.346 1.00 10.00 C ATOM 109 O SER A 8 5.534 18.355 1.638 1.00 10.00 O ATOM 110 CB SER A 8 2.766 16.930 1.379 1.00 10.00 C ATOM 111 OG SER A 8 2.789 15.959 2.421 1.00 10.00 O ATOM 0 H SER A 8 3.772 14.790 0.427 1.00 10.00 H new ATOM 0 HA SER A 8 3.922 17.613 -0.280 1.00 10.00 H new ATOM 0 HB2 SER A 8 2.674 17.925 1.813 1.00 10.00 H new ATOM 0 HB3 SER A 8 1.886 16.771 0.755 1.00 10.00 H new ATOM 0 HG SER A 8 2.430 16.353 3.243 1.00 10.00 H new ATOM 117 N LYS A 9 5.984 16.139 1.707 1.00 10.00 N ATOM 118 CA LYS A 9 7.039 16.260 2.699 1.00 10.00 C ATOM 119 C LYS A 9 8.389 16.383 1.990 1.00 10.00 C ATOM 120 O LYS A 9 9.381 16.778 2.600 1.00 10.00 O ATOM 121 CB LYS A 9 6.971 15.102 3.697 1.00 10.00 C ATOM 122 CG LYS A 9 7.093 13.755 2.982 1.00 10.00 C ATOM 123 CD LYS A 9 5.730 13.069 2.869 1.00 10.00 C ATOM 124 CE LYS A 9 5.385 12.319 4.158 1.00 10.00 C ATOM 125 NZ LYS A 9 4.037 11.716 4.061 1.00 10.00 N ATOM 0 H LYS A 9 5.858 15.199 1.330 1.00 10.00 H new ATOM 0 HA LYS A 9 6.905 17.167 3.289 1.00 10.00 H new ATOM 0 HB2 LYS A 9 7.771 15.202 4.431 1.00 10.00 H new ATOM 0 HB3 LYS A 9 6.029 15.143 4.244 1.00 10.00 H new ATOM 0 HG2 LYS A 9 7.513 13.904 1.987 1.00 10.00 H new ATOM 0 HG3 LYS A 9 7.784 13.111 3.526 1.00 10.00 H new ATOM 0 HD2 LYS A 9 4.961 13.812 2.660 1.00 10.00 H new ATOM 0 HD3 LYS A 9 5.737 12.373 2.030 1.00 10.00 H new ATOM 0 HE2 LYS A 9 6.126 11.541 4.342 1.00 10.00 H new ATOM 0 HE3 LYS A 9 5.424 13.003 5.006 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 4.021 10.816 4.581 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 3.336 12.365 4.471 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 3.805 11.543 3.062 1.00 10.00 H new ATOM 138 N GLY A 10 8.382 16.038 0.711 1.00 10.00 N ATOM 139 CA GLY A 10 9.566 16.206 -0.116 1.00 10.00 C ATOM 140 C GLY A 10 10.534 15.036 0.068 1.00 10.00 C ATOM 141 O GLY A 10 10.694 14.211 -0.830 1.00 10.00 O ATOM 0 H GLY A 10 7.576 15.643 0.227 1.00 10.00 H new ATOM 0 HA2 GLY A 10 9.275 16.280 -1.164 1.00 10.00 H new ATOM 0 HA3 GLY A 10 10.065 17.140 0.143 1.00 10.00 H new ATOM 145 N CYS A 11 11.154 15.001 1.238 1.00 10.00 N ATOM 146 CA CYS A 11 12.128 13.965 1.538 1.00 10.00 C ATOM 147 C CYS A 11 11.897 13.490 2.974 1.00 10.00 C ATOM 148 O CYS A 11 12.608 13.901 3.890 1.00 10.00 O ATOM 149 CB CYS A 11 13.561 14.456 1.323 1.00 10.00 C ATOM 150 SG CYS A 11 14.067 14.603 -0.430 1.00 10.00 S ATOM 0 H CYS A 11 11.001 15.673 1.990 1.00 10.00 H new ATOM 0 HA CYS A 11 11.994 13.128 0.853 1.00 10.00 H new ATOM 0 HB2 CYS A 11 13.672 15.429 1.802 1.00 10.00 H new ATOM 0 HB3 CYS A 11 14.244 13.773 1.828 1.00 10.00 H new ATOM 155 N LYS A 12 10.900 12.630 3.126 1.00 10.00 N ATOM 156 CA LYS A 12 10.859 11.725 4.262 1.00 10.00 C ATOM 157 C LYS A 12 10.567 12.522 5.534 1.00 10.00 C ATOM 158 O LYS A 12 10.464 13.747 5.494 1.00 10.00 O ATOM 159 CB LYS A 12 12.145 10.899 4.335 1.00 10.00 C ATOM 160 CG LYS A 12 11.913 9.476 3.824 1.00 10.00 C ATOM 161 CD LYS A 12 11.460 9.485 2.363 1.00 10.00 C ATOM 162 CE LYS A 12 12.061 8.306 1.595 1.00 10.00 C ATOM 163 NZ LYS A 12 11.279 8.033 0.369 1.00 10.00 N ATOM 0 H LYS A 12 10.115 12.541 2.481 1.00 10.00 H new ATOM 0 HA LYS A 12 10.050 11.004 4.145 1.00 10.00 H new ATOM 0 HB2 LYS A 12 12.924 11.379 3.743 1.00 10.00 H new ATOM 0 HB3 LYS A 12 12.502 10.866 5.364 1.00 10.00 H new ATOM 0 HG2 LYS A 12 12.832 8.897 3.920 1.00 10.00 H new ATOM 0 HG3 LYS A 12 11.160 8.983 4.439 1.00 10.00 H new ATOM 0 HD2 LYS A 12 10.372 9.438 2.316 1.00 10.00 H new ATOM 0 HD3 LYS A 12 11.759 10.421 1.892 1.00 10.00 H new ATOM 0 HE2 LYS A 12 13.096 8.525 1.332 1.00 10.00 H new ATOM 0 HE3 LYS A 12 12.074 7.420 2.230 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 11.854 7.472 -0.291 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 10.419 7.503 0.617 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 11.014 8.932 -0.081 1.00 10.00 H new ATOM 176 N LEU A 13 10.442 11.795 6.635 1.00 10.00 N ATOM 177 CA LEU A 13 10.523 12.407 7.950 1.00 10.00 C ATOM 178 C LEU A 13 11.176 11.425 8.925 1.00 10.00 C ATOM 179 O LEU A 13 10.853 10.239 8.926 1.00 10.00 O ATOM 180 CB LEU A 13 9.145 12.895 8.400 1.00 10.00 C ATOM 181 CG LEU A 13 8.005 11.880 8.291 1.00 10.00 C ATOM 182 CD1 LEU A 13 7.181 11.841 9.580 1.00 10.00 C ATOM 183 CD2 LEU A 13 7.137 12.159 7.063 1.00 10.00 C ATOM 0 H LEU A 13 10.285 10.787 6.643 1.00 10.00 H new ATOM 0 HA LEU A 13 11.155 13.294 7.919 1.00 10.00 H new ATOM 0 HB2 LEU A 13 9.218 13.220 9.438 1.00 10.00 H new ATOM 0 HB3 LEU A 13 8.881 13.772 7.809 1.00 10.00 H new ATOM 0 HG LEU A 13 8.441 10.890 8.157 1.00 10.00 H new ATOM 0 HD11 LEU A 13 6.377 11.112 9.476 1.00 10.00 H new ATOM 0 HD12 LEU A 13 7.823 11.557 10.414 1.00 10.00 H new ATOM 0 HD13 LEU A 13 6.755 12.826 9.769 1.00 10.00 H new ATOM 0 HD21 LEU A 13 6.335 11.423 7.010 1.00 10.00 H new ATOM 0 HD22 LEU A 13 6.708 13.158 7.140 1.00 10.00 H new ATOM 0 HD23 LEU A 13 7.749 12.095 6.163 1.00 10.00 H new ATOM 195 N SER A 14 12.083 11.957 9.732 1.00 10.00 N ATOM 196 CA SER A 14 13.029 11.120 10.449 1.00 10.00 C ATOM 197 C SER A 14 12.285 10.206 11.425 1.00 10.00 C ATOM 198 O SER A 14 12.544 9.005 11.477 1.00 10.00 O ATOM 199 CB SER A 14 14.059 11.969 11.198 1.00 10.00 C ATOM 200 OG SER A 14 14.712 12.898 10.337 1.00 10.00 O ATOM 0 H SER A 14 12.182 12.957 9.905 1.00 10.00 H new ATOM 0 HA SER A 14 13.562 10.508 9.722 1.00 10.00 H new ATOM 0 HB2 SER A 14 13.565 12.509 12.006 1.00 10.00 H new ATOM 0 HB3 SER A 14 14.802 11.317 11.657 1.00 10.00 H new ATOM 0 HG SER A 14 15.360 13.422 10.852 1.00 10.00 H new ATOM 206 N CYS A 15 11.374 10.810 12.173 1.00 10.00 N ATOM 207 CA CYS A 15 10.651 10.084 13.204 1.00 10.00 C ATOM 208 C CYS A 15 11.639 9.715 14.313 1.00 10.00 C ATOM 209 O CYS A 15 12.710 9.175 14.041 1.00 10.00 O ATOM 210 CB CYS A 15 9.942 8.853 12.637 1.00 10.00 C ATOM 211 SG CYS A 15 10.873 7.286 12.806 1.00 10.00 S ATOM 0 H CYS A 15 11.120 11.794 12.086 1.00 10.00 H new ATOM 0 HA CYS A 15 9.864 10.717 13.615 1.00 10.00 H new ATOM 0 HB2 CYS A 15 8.979 8.743 13.136 1.00 10.00 H new ATOM 0 HB3 CYS A 15 9.735 9.024 11.581 1.00 10.00 H new ATOM 216 N VAL A 16 11.243 10.020 15.540 1.00 10.00 N ATOM 217 CA VAL A 16 11.995 9.576 16.701 1.00 10.00 C ATOM 218 C VAL A 16 11.034 8.963 17.722 1.00 10.00 C ATOM 219 O VAL A 16 11.388 8.792 18.888 1.00 10.00 O ATOM 220 CB VAL A 16 12.811 10.738 17.271 1.00 10.00 C ATOM 221 CG1 VAL A 16 13.969 10.226 18.130 1.00 10.00 C ATOM 222 CG2 VAL A 16 13.319 11.652 16.154 1.00 10.00 C ATOM 0 H VAL A 16 10.411 10.569 15.755 1.00 10.00 H new ATOM 0 HA VAL A 16 12.709 8.801 16.421 1.00 10.00 H new ATOM 0 HB VAL A 16 12.154 11.326 17.911 1.00 10.00 H new ATOM 0 HG11 VAL A 16 14.533 11.072 18.523 1.00 10.00 H new ATOM 0 HG12 VAL A 16 13.575 9.637 18.958 1.00 10.00 H new ATOM 0 HG13 VAL A 16 14.626 9.604 17.522 1.00 10.00 H new ATOM 0 HG21 VAL A 16 13.896 12.469 16.587 1.00 10.00 H new ATOM 0 HG22 VAL A 16 13.952 11.080 15.476 1.00 10.00 H new ATOM 0 HG23 VAL A 16 12.471 12.058 15.603 1.00 10.00 H new ATOM 232 N ALA A 17 9.838 8.648 17.247 1.00 10.00 N ATOM 233 CA ALA A 17 8.787 8.166 18.126 1.00 10.00 C ATOM 234 C ALA A 17 7.698 7.491 17.289 1.00 10.00 C ATOM 235 O ALA A 17 7.393 7.938 16.184 1.00 10.00 O ATOM 236 CB ALA A 17 8.244 9.328 18.959 1.00 10.00 C ATOM 0 H ALA A 17 9.574 8.717 16.264 1.00 10.00 H new ATOM 0 HA ALA A 17 9.179 7.423 18.820 1.00 10.00 H new ATOM 0 HB1 ALA A 17 7.455 8.966 19.618 1.00 10.00 H new ATOM 0 HB2 ALA A 17 9.049 9.755 19.557 1.00 10.00 H new ATOM 0 HB3 ALA A 17 7.840 10.093 18.296 1.00 10.00 H new ATOM 242 N ASN A 18 7.143 6.425 17.847 1.00 10.00 N ATOM 243 CA ASN A 18 6.198 5.602 17.112 1.00 10.00 C ATOM 244 C ASN A 18 4.914 6.397 16.872 1.00 10.00 C ATOM 245 O ASN A 18 4.374 6.394 15.767 1.00 10.00 O ATOM 246 CB ASN A 18 5.834 4.342 17.901 1.00 10.00 C ATOM 247 CG ASN A 18 7.060 3.449 18.105 1.00 10.00 C ATOM 248 OD1 ASN A 18 7.785 3.560 19.079 1.00 10.00 O ATOM 249 ND2 ASN A 18 7.249 2.561 17.133 1.00 10.00 N ATOM 0 H ASN A 18 7.330 6.112 18.800 1.00 10.00 H new ATOM 0 HA ASN A 18 6.664 5.315 16.169 1.00 10.00 H new ATOM 0 HB2 ASN A 18 5.419 4.622 18.869 1.00 10.00 H new ATOM 0 HB3 ASN A 18 5.060 3.787 17.371 1.00 10.00 H new ATOM 0 HD21 ASN A 18 8.040 1.919 17.176 1.00 10.00 H new ATOM 0 HD22 ASN A 18 6.603 2.522 16.345 1.00 10.00 H new ATOM 256 N ASN A 19 4.461 7.061 17.926 1.00 10.00 N ATOM 257 CA ASN A 19 3.217 7.808 17.862 1.00 10.00 C ATOM 258 C ASN A 19 3.350 8.925 16.825 1.00 10.00 C ATOM 259 O ASN A 19 2.401 9.220 16.100 1.00 10.00 O ATOM 260 CB ASN A 19 2.890 8.451 19.211 1.00 10.00 C ATOM 261 CG ASN A 19 4.104 9.195 19.771 1.00 10.00 C ATOM 262 OD1 ASN A 19 4.404 10.317 19.398 1.00 10.00 O ATOM 263 ND2 ASN A 19 4.784 8.509 20.686 1.00 10.00 N ATOM 0 H ASN A 19 4.934 7.097 18.829 1.00 10.00 H new ATOM 0 HA ASN A 19 2.421 7.114 17.591 1.00 10.00 H new ATOM 0 HB2 ASN A 19 2.056 9.143 19.096 1.00 10.00 H new ATOM 0 HB3 ASN A 19 2.572 7.683 19.916 1.00 10.00 H new ATOM 0 HD21 ASN A 19 5.611 8.919 21.120 1.00 10.00 H new ATOM 0 HD22 ASN A 19 4.478 7.573 20.953 1.00 10.00 H new ATOM 270 N TYR A 20 4.535 9.516 16.788 1.00 10.00 N ATOM 271 CA TYR A 20 4.774 10.660 15.926 1.00 10.00 C ATOM 272 C TYR A 20 4.660 10.269 14.451 1.00 10.00 C ATOM 273 O TYR A 20 4.176 11.050 13.633 1.00 10.00 O ATOM 274 CB TYR A 20 6.208 11.112 16.211 1.00 10.00 C ATOM 275 CG TYR A 20 6.682 12.271 15.332 1.00 10.00 C ATOM 276 CD1 TYR A 20 6.455 13.574 15.726 1.00 10.00 C ATOM 277 CD2 TYR A 20 7.338 12.013 14.146 1.00 10.00 C ATOM 278 CE1 TYR A 20 6.901 14.665 14.899 1.00 10.00 C ATOM 279 CE2 TYR A 20 7.784 13.104 13.318 1.00 10.00 C ATOM 280 CZ TYR A 20 7.544 14.376 13.736 1.00 10.00 C ATOM 281 OH TYR A 20 7.966 15.406 12.955 1.00 10.00 O ATOM 0 H TYR A 20 5.340 9.224 17.342 1.00 10.00 H new ATOM 0 HA TYR A 20 4.042 11.444 16.119 1.00 10.00 H new ATOM 0 HB2 TYR A 20 6.283 11.409 17.257 1.00 10.00 H new ATOM 0 HB3 TYR A 20 6.880 10.265 16.071 1.00 10.00 H new ATOM 0 HD1 TYR A 20 5.943 13.775 16.655 1.00 10.00 H new ATOM 0 HD2 TYR A 20 7.517 10.993 13.839 1.00 10.00 H new ATOM 0 HE1 TYR A 20 6.729 15.689 15.195 1.00 10.00 H new ATOM 0 HE2 TYR A 20 8.297 12.916 12.386 1.00 10.00 H new ATOM 0 HH TYR A 20 8.410 15.051 12.157 1.00 10.00 H new ATOM 291 N CYS A 21 5.114 9.060 14.156 1.00 10.00 N ATOM 292 CA CYS A 21 4.964 8.510 12.819 1.00 10.00 C ATOM 293 C CYS A 21 3.489 8.169 12.603 1.00 10.00 C ATOM 294 O CYS A 21 2.875 8.632 11.642 1.00 10.00 O ATOM 295 CB CYS A 21 5.868 7.295 12.603 1.00 10.00 C ATOM 296 SG CYS A 21 5.591 6.402 11.030 1.00 10.00 S ATOM 0 H CYS A 21 5.586 8.446 14.820 1.00 10.00 H new ATOM 0 HA CYS A 21 5.277 9.249 12.081 1.00 10.00 H new ATOM 0 HB2 CYS A 21 6.907 7.622 12.641 1.00 10.00 H new ATOM 0 HB3 CYS A 21 5.722 6.600 13.430 1.00 10.00 H new ATOM 301 N ASP A 22 2.961 7.362 13.511 1.00 10.00 N ATOM 302 CA ASP A 22 1.705 6.675 13.263 1.00 10.00 C ATOM 303 C ASP A 22 0.598 7.709 13.047 1.00 10.00 C ATOM 304 O ASP A 22 -0.203 7.582 12.122 1.00 10.00 O ATOM 305 CB ASP A 22 1.310 5.802 14.456 1.00 10.00 C ATOM 306 CG ASP A 22 0.117 4.876 14.211 1.00 10.00 C ATOM 307 OD1 ASP A 22 -0.070 4.353 13.103 1.00 10.00 O ATOM 308 OD2 ASP A 22 -0.651 4.696 15.232 1.00 10.00 O ATOM 0 H ASP A 22 3.380 7.168 14.420 1.00 10.00 H new ATOM 0 HA ASP A 22 1.833 6.046 12.382 1.00 10.00 H new ATOM 0 HB2 ASP A 22 2.169 5.195 14.744 1.00 10.00 H new ATOM 0 HB3 ASP A 22 1.080 6.450 15.302 1.00 10.00 H new ATOM 314 N ASN A 23 0.588 8.709 13.917 1.00 10.00 N ATOM 315 CA ASN A 23 -0.482 9.692 13.914 1.00 10.00 C ATOM 316 C ASN A 23 -0.390 10.536 12.641 1.00 10.00 C ATOM 317 O ASN A 23 -1.401 11.029 12.144 1.00 10.00 O ATOM 318 CB ASN A 23 -0.367 10.634 15.114 1.00 10.00 C ATOM 319 CG ASN A 23 0.630 11.760 14.834 1.00 10.00 C ATOM 320 OD1 ASN A 23 0.068 12.886 14.402 1.00 10.00 O flip ATOM 321 ND2 ASN A 23 1.831 11.617 14.999 1.00 10.00 N flip ATOM 0 H ASN A 23 1.304 8.859 14.628 1.00 10.00 H new ATOM 0 HA ASN A 23 -1.431 9.158 13.964 1.00 10.00 H new ATOM 0 HB2 ASN A 23 -1.345 11.058 15.343 1.00 10.00 H new ATOM 0 HB3 ASN A 23 -0.049 10.072 15.993 1.00 10.00 H new ATOM 0 HD21 ASN A 23 2.197 10.726 15.333 1.00 10.00 H new ATOM 0 HD22 ASN A 23 2.468 12.389 14.803 1.00 10.00 H new ATOM 328 N GLN A 24 0.832 10.676 12.149 1.00 10.00 N ATOM 329 CA GLN A 24 1.081 11.517 10.990 1.00 10.00 C ATOM 330 C GLN A 24 0.791 10.745 9.702 1.00 10.00 C ATOM 331 O GLN A 24 0.414 11.336 8.691 1.00 10.00 O ATOM 332 CB GLN A 24 2.515 12.051 10.998 1.00 10.00 C ATOM 333 CG GLN A 24 2.726 13.072 9.878 1.00 10.00 C ATOM 334 CD GLN A 24 4.087 13.758 10.010 1.00 10.00 C ATOM 335 OE1 GLN A 24 4.705 13.771 11.062 1.00 10.00 O ATOM 336 NE2 GLN A 24 4.518 14.326 8.888 1.00 10.00 N ATOM 0 H GLN A 24 1.661 10.221 12.532 1.00 10.00 H new ATOM 0 HA GLN A 24 0.409 12.374 11.036 1.00 10.00 H new ATOM 0 HB2 GLN A 24 2.729 12.513 11.962 1.00 10.00 H new ATOM 0 HB3 GLN A 24 3.215 11.224 10.878 1.00 10.00 H new ATOM 0 HG2 GLN A 24 2.658 12.575 8.910 1.00 10.00 H new ATOM 0 HG3 GLN A 24 1.933 13.820 9.909 1.00 10.00 H new ATOM 0 HE21 GLN A 24 3.951 14.278 8.042 1.00 10.00 H new ATOM 0 HE22 GLN A 24 5.416 14.810 8.874 1.00 10.00 H new ATOM 345 N CYS A 25 0.977 9.435 9.780 1.00 10.00 N ATOM 346 CA CYS A 25 0.714 8.573 8.640 1.00 10.00 C ATOM 347 C CYS A 25 -0.802 8.439 8.479 1.00 10.00 C ATOM 348 O CYS A 25 -1.332 8.622 7.384 1.00 10.00 O ATOM 349 CB CYS A 25 1.394 7.211 8.793 1.00 10.00 C ATOM 350 SG CYS A 25 3.223 7.264 8.816 1.00 10.00 S ATOM 0 H CYS A 25 1.307 8.950 10.615 1.00 10.00 H new ATOM 0 HA CYS A 25 1.136 9.018 7.739 1.00 10.00 H new ATOM 0 HB2 CYS A 25 1.046 6.749 9.717 1.00 10.00 H new ATOM 0 HB3 CYS A 25 1.074 6.567 7.974 1.00 10.00 H new ATOM 355 N LYS A 26 -1.457 8.121 9.586 1.00 10.00 N ATOM 356 CA LYS A 26 -2.807 7.587 9.530 1.00 10.00 C ATOM 357 C LYS A 26 -3.775 8.702 9.128 1.00 10.00 C ATOM 358 O LYS A 26 -4.862 8.433 8.620 1.00 10.00 O ATOM 359 CB LYS A 26 -3.169 6.905 10.850 1.00 10.00 C ATOM 360 CG LYS A 26 -3.501 7.938 11.929 1.00 10.00 C ATOM 361 CD LYS A 26 -4.057 7.262 13.183 1.00 10.00 C ATOM 362 CE LYS A 26 -3.020 6.328 13.809 1.00 10.00 C ATOM 363 NZ LYS A 26 -3.449 5.908 15.162 1.00 10.00 N ATOM 0 H LYS A 26 -1.078 8.223 10.527 1.00 10.00 H new ATOM 0 HA LYS A 26 -2.879 6.811 8.768 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -4.023 6.244 10.700 1.00 10.00 H new ATOM 0 HB3 LYS A 26 -2.338 6.282 11.181 1.00 10.00 H new ATOM 0 HG2 LYS A 26 -2.605 8.504 12.184 1.00 10.00 H new ATOM 0 HG3 LYS A 26 -4.229 8.651 11.543 1.00 10.00 H new ATOM 0 HD2 LYS A 26 -4.353 8.020 13.908 1.00 10.00 H new ATOM 0 HD3 LYS A 26 -4.954 6.697 12.928 1.00 10.00 H new ATOM 0 HE2 LYS A 26 -2.883 5.451 13.176 1.00 10.00 H new ATOM 0 HE3 LYS A 26 -2.056 6.833 13.867 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 -2.677 5.387 15.625 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 -3.688 6.748 15.727 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 -4.284 5.293 15.086 1.00 10.00 H new ATOM 376 N MET A 27 -3.345 9.932 9.371 1.00 10.00 N ATOM 377 CA MET A 27 -4.248 11.068 9.306 1.00 10.00 C ATOM 378 C MET A 27 -4.832 11.223 7.900 1.00 10.00 C ATOM 379 O MET A 27 -5.918 11.776 7.732 1.00 10.00 O ATOM 380 CB MET A 27 -3.495 12.343 9.690 1.00 10.00 C ATOM 381 CG MET A 27 -2.533 12.767 8.579 1.00 10.00 C ATOM 382 SD MET A 27 -1.410 14.014 9.187 1.00 10.00 S ATOM 383 CE MET A 27 -0.508 14.376 7.689 1.00 10.00 C ATOM 0 H MET A 27 -2.382 10.166 9.613 1.00 10.00 H new ATOM 0 HA MET A 27 -5.068 10.897 10.004 1.00 10.00 H new ATOM 0 HB2 MET A 27 -4.207 13.145 9.885 1.00 10.00 H new ATOM 0 HB3 MET A 27 -2.940 12.178 10.613 1.00 10.00 H new ATOM 0 HG2 MET A 27 -1.972 11.903 8.223 1.00 10.00 H new ATOM 0 HG3 MET A 27 -3.094 13.155 7.729 1.00 10.00 H new ATOM 0 HE1 MET A 27 0.241 15.142 7.891 1.00 10.00 H new ATOM 0 HE2 MET A 27 -0.015 13.471 7.334 1.00 10.00 H new ATOM 0 HE3 MET A 27 -1.199 14.736 6.926 1.00 10.00 H new ATOM 393 N LYS A 28 -4.084 10.726 6.925 1.00 10.00 N ATOM 394 CA LYS A 28 -4.413 10.970 5.531 1.00 10.00 C ATOM 395 C LYS A 28 -3.644 9.984 4.650 1.00 10.00 C ATOM 396 O LYS A 28 -4.240 9.273 3.842 1.00 10.00 O ATOM 397 CB LYS A 28 -4.168 12.437 5.172 1.00 10.00 C ATOM 398 CG LYS A 28 -4.552 12.717 3.717 1.00 10.00 C ATOM 399 CD LYS A 28 -3.310 12.798 2.828 1.00 10.00 C ATOM 400 CE LYS A 28 -3.677 13.250 1.413 1.00 10.00 C ATOM 401 NZ LYS A 28 -4.025 14.689 1.402 1.00 10.00 N ATOM 0 H LYS A 28 -3.251 10.156 7.073 1.00 10.00 H new ATOM 0 HA LYS A 28 -5.474 10.795 5.353 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -4.748 13.079 5.835 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -3.118 12.683 5.328 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.213 11.930 3.354 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.108 13.653 3.657 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.593 13.495 3.262 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -2.823 11.824 2.788 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -2.841 13.067 0.738 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.519 12.663 1.044 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.040 15.035 0.421 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -4.963 14.823 1.830 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.317 15.222 1.947 1.00 10.00 H new ATOM 414 N LYS A 29 -2.333 9.973 4.835 1.00 10.00 N ATOM 415 CA LYS A 29 -1.448 9.323 3.883 1.00 10.00 C ATOM 416 C LYS A 29 -1.745 7.822 3.860 1.00 10.00 C ATOM 417 O LYS A 29 -1.762 7.206 2.796 1.00 10.00 O ATOM 418 CB LYS A 29 0.012 9.656 4.195 1.00 10.00 C ATOM 419 CG LYS A 29 0.288 11.148 3.998 1.00 10.00 C ATOM 420 CD LYS A 29 0.563 11.465 2.526 1.00 10.00 C ATOM 421 CE LYS A 29 0.614 12.976 2.292 1.00 10.00 C ATOM 422 NZ LYS A 29 1.745 13.578 3.032 1.00 10.00 N ATOM 0 H LYS A 29 -1.861 10.404 5.630 1.00 10.00 H new ATOM 0 HA LYS A 29 -1.629 9.700 2.876 1.00 10.00 H new ATOM 0 HB2 LYS A 29 0.242 9.372 5.222 1.00 10.00 H new ATOM 0 HB3 LYS A 29 0.668 9.073 3.549 1.00 10.00 H new ATOM 0 HG2 LYS A 29 -0.567 11.729 4.345 1.00 10.00 H new ATOM 0 HG3 LYS A 29 1.143 11.446 4.604 1.00 10.00 H new ATOM 0 HD2 LYS A 29 1.508 11.014 2.223 1.00 10.00 H new ATOM 0 HD3 LYS A 29 -0.215 11.023 1.903 1.00 10.00 H new ATOM 0 HE2 LYS A 29 0.719 13.181 1.227 1.00 10.00 H new ATOM 0 HE3 LYS A 29 -0.322 13.431 2.614 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 1.754 14.606 2.875 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 1.638 13.383 4.048 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 2.639 13.168 2.693 1.00 10.00 H new ATOM 435 N ALA A 30 -1.970 7.277 5.047 1.00 10.00 N ATOM 436 CA ALA A 30 -1.931 5.836 5.228 1.00 10.00 C ATOM 437 C ALA A 30 -3.029 5.420 6.209 1.00 10.00 C ATOM 438 O ALA A 30 -3.810 6.255 6.663 1.00 10.00 O ATOM 439 CB ALA A 30 -0.537 5.419 5.702 1.00 10.00 C ATOM 0 H ALA A 30 -2.180 7.808 5.892 1.00 10.00 H new ATOM 0 HA ALA A 30 -2.121 5.325 4.284 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -0.507 4.338 5.838 1.00 10.00 H new ATOM 0 HB2 ALA A 30 0.203 5.712 4.957 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -0.313 5.910 6.649 1.00 10.00 H new ATOM 445 N SER A 31 -3.053 4.130 6.508 1.00 10.00 N ATOM 446 CA SER A 31 -3.944 3.615 7.534 1.00 10.00 C ATOM 447 C SER A 31 -3.235 3.611 8.889 1.00 10.00 C ATOM 448 O SER A 31 -3.866 3.816 9.925 1.00 10.00 O ATOM 449 CB SER A 31 -4.431 2.208 7.185 1.00 10.00 C ATOM 450 OG SER A 31 -5.311 1.686 8.177 1.00 10.00 O ATOM 0 H SER A 31 -2.469 3.425 6.057 1.00 10.00 H new ATOM 0 HA SER A 31 -4.815 4.268 7.589 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.942 2.230 6.222 1.00 10.00 H new ATOM 0 HB3 SER A 31 -3.573 1.544 7.076 1.00 10.00 H new ATOM 0 HG SER A 31 -5.601 0.787 7.917 1.00 10.00 H new ATOM 456 N GLY A 32 -1.932 3.374 8.839 1.00 10.00 N ATOM 457 CA GLY A 32 -1.117 3.417 10.041 1.00 10.00 C ATOM 458 C GLY A 32 0.337 3.753 9.705 1.00 10.00 C ATOM 459 O GLY A 32 0.642 4.156 8.583 1.00 10.00 O ATOM 0 H GLY A 32 -1.421 3.152 7.985 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -1.517 4.162 10.729 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -1.163 2.455 10.551 1.00 10.00 H new ATOM 463 N GLY A 33 1.197 3.575 10.697 1.00 10.00 N ATOM 464 CA GLY A 33 2.628 3.698 10.479 1.00 10.00 C ATOM 465 C GLY A 33 3.410 3.301 11.732 1.00 10.00 C ATOM 466 O GLY A 33 2.839 3.196 12.817 1.00 10.00 O ATOM 0 H GLY A 33 0.930 3.346 11.654 1.00 10.00 H new ATOM 0 HA2 GLY A 33 2.928 3.065 9.643 1.00 10.00 H new ATOM 0 HA3 GLY A 33 2.871 4.725 10.205 1.00 10.00 H new ATOM 470 N HIS A 34 4.705 3.092 11.542 1.00 10.00 N ATOM 471 CA HIS A 34 5.601 2.879 12.665 1.00 10.00 C ATOM 472 C HIS A 34 6.944 3.556 12.385 1.00 10.00 C ATOM 473 O HIS A 34 7.301 3.781 11.230 1.00 10.00 O ATOM 474 CB HIS A 34 5.742 1.387 12.974 1.00 10.00 C ATOM 475 CG HIS A 34 5.127 0.971 14.288 1.00 10.00 C ATOM 476 ND1 HIS A 34 3.849 1.341 14.668 1.00 10.00 N ATOM 477 CD2 HIS A 34 5.627 0.213 15.306 1.00 10.00 C ATOM 478 CE1 HIS A 34 3.602 0.824 15.863 1.00 10.00 C ATOM 479 NE2 HIS A 34 4.705 0.125 16.256 1.00 10.00 N ATOM 0 H HIS A 34 5.155 3.066 10.627 1.00 10.00 H new ATOM 0 HA HIS A 34 5.182 3.337 13.561 1.00 10.00 H new ATOM 0 HB2 HIS A 34 5.278 0.815 12.170 1.00 10.00 H new ATOM 0 HB3 HIS A 34 6.800 1.126 12.981 1.00 10.00 H new ATOM 0 HD1 HIS A 34 3.206 1.914 14.121 1.00 10.00 H new ATOM 0 HD2 HIS A 34 6.607 -0.239 15.334 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.688 0.937 16.427 1.00 10.00 H new ATOM 487 N CYS A 35 7.653 3.862 13.462 1.00 10.00 N ATOM 488 CA CYS A 35 8.851 4.678 13.363 1.00 10.00 C ATOM 489 C CYS A 35 10.053 3.747 13.192 1.00 10.00 C ATOM 490 O CYS A 35 10.485 3.103 14.148 1.00 10.00 O ATOM 491 CB CYS A 35 9.010 5.599 14.574 1.00 10.00 C ATOM 492 SG CYS A 35 10.570 6.557 14.610 1.00 10.00 S ATOM 0 H CYS A 35 7.420 3.559 14.408 1.00 10.00 H new ATOM 0 HA CYS A 35 8.776 5.336 12.497 1.00 10.00 H new ATOM 0 HB2 CYS A 35 8.172 6.295 14.596 1.00 10.00 H new ATOM 0 HB3 CYS A 35 8.948 4.998 15.481 1.00 10.00 H new ATOM 497 N TYR A 36 10.560 3.704 11.969 1.00 10.00 N ATOM 498 CA TYR A 36 11.775 2.959 11.687 1.00 10.00 C ATOM 499 C TYR A 36 12.984 3.893 11.606 1.00 10.00 C ATOM 500 O TYR A 36 12.833 5.091 11.369 1.00 10.00 O ATOM 501 CB TYR A 36 11.560 2.303 10.322 1.00 10.00 C ATOM 502 CG TYR A 36 12.498 1.127 10.043 1.00 10.00 C ATOM 503 CD1 TYR A 36 12.368 -0.045 10.761 1.00 10.00 C ATOM 504 CD2 TYR A 36 13.474 1.237 9.073 1.00 10.00 C ATOM 505 CE1 TYR A 36 13.251 -1.152 10.498 1.00 10.00 C ATOM 506 CE2 TYR A 36 14.356 0.130 8.810 1.00 10.00 C ATOM 507 CZ TYR A 36 14.201 -1.010 9.535 1.00 10.00 C ATOM 508 OH TYR A 36 15.035 -2.055 9.287 1.00 10.00 O ATOM 0 H TYR A 36 10.151 4.174 11.161 1.00 10.00 H new ATOM 0 HA TYR A 36 11.971 2.231 12.474 1.00 10.00 H new ATOM 0 HB2 TYR A 36 10.529 1.956 10.255 1.00 10.00 H new ATOM 0 HB3 TYR A 36 11.694 3.054 9.544 1.00 10.00 H new ATOM 0 HD1 TYR A 36 11.604 -0.132 11.520 1.00 10.00 H new ATOM 0 HD2 TYR A 36 13.576 2.154 8.511 1.00 10.00 H new ATOM 0 HE1 TYR A 36 13.161 -2.074 11.053 1.00 10.00 H new ATOM 0 HE2 TYR A 36 15.124 0.203 8.054 1.00 10.00 H new ATOM 0 HH TYR A 36 15.661 -1.811 8.574 1.00 10.00 H new ATOM 518 N ALA A 37 14.156 3.310 11.809 1.00 10.00 N ATOM 519 CA ALA A 37 15.352 4.098 12.055 1.00 10.00 C ATOM 520 C ALA A 37 15.578 5.054 10.882 1.00 10.00 C ATOM 521 O ALA A 37 16.041 6.178 11.073 1.00 10.00 O ATOM 522 CB ALA A 37 16.542 3.164 12.283 1.00 10.00 C ATOM 0 H ALA A 37 14.303 2.301 11.808 1.00 10.00 H new ATOM 0 HA ALA A 37 15.235 4.702 12.955 1.00 10.00 H new ATOM 0 HB1 ALA A 37 17.439 3.756 12.467 1.00 10.00 H new ATOM 0 HB2 ALA A 37 16.344 2.526 13.145 1.00 10.00 H new ATOM 0 HB3 ALA A 37 16.692 2.544 11.399 1.00 10.00 H new ATOM 528 N MET A 38 15.240 4.573 9.695 1.00 10.00 N ATOM 529 CA MET A 38 15.452 5.350 8.485 1.00 10.00 C ATOM 530 C MET A 38 14.475 6.525 8.410 1.00 10.00 C ATOM 531 O MET A 38 14.866 7.642 8.075 1.00 10.00 O ATOM 532 CB MET A 38 15.264 4.451 7.261 1.00 10.00 C ATOM 533 CG MET A 38 16.371 3.398 7.179 1.00 10.00 C ATOM 534 SD MET A 38 17.883 4.147 6.595 1.00 10.00 S ATOM 535 CE MET A 38 18.995 2.760 6.747 1.00 10.00 C ATOM 0 H MET A 38 14.821 3.655 9.545 1.00 10.00 H new ATOM 0 HA MET A 38 16.467 5.746 8.503 1.00 10.00 H new ATOM 0 HB2 MET A 38 14.293 3.959 7.312 1.00 10.00 H new ATOM 0 HB3 MET A 38 15.267 5.058 6.356 1.00 10.00 H new ATOM 0 HG2 MET A 38 16.532 2.951 8.160 1.00 10.00 H new ATOM 0 HG3 MET A 38 16.071 2.594 6.507 1.00 10.00 H new ATOM 0 HE1 MET A 38 19.992 3.056 6.421 1.00 10.00 H new ATOM 0 HE2 MET A 38 19.034 2.437 7.787 1.00 10.00 H new ATOM 0 HE3 MET A 38 18.639 1.938 6.125 1.00 10.00 H new ATOM 545 N SER A 39 13.222 6.233 8.728 1.00 10.00 N ATOM 546 CA SER A 39 12.155 7.198 8.528 1.00 10.00 C ATOM 547 C SER A 39 10.828 6.622 9.026 1.00 10.00 C ATOM 548 O SER A 39 10.744 5.438 9.350 1.00 10.00 O ATOM 549 CB SER A 39 12.041 7.596 7.055 1.00 10.00 C ATOM 550 OG SER A 39 12.808 8.759 6.756 1.00 10.00 O ATOM 0 H SER A 39 12.922 5.342 9.123 1.00 10.00 H new ATOM 0 HA SER A 39 12.393 8.094 9.101 1.00 10.00 H new ATOM 0 HB2 SER A 39 12.377 6.769 6.429 1.00 10.00 H new ATOM 0 HB3 SER A 39 10.995 7.778 6.808 1.00 10.00 H new ATOM 0 HG SER A 39 13.706 8.665 7.136 1.00 10.00 H new ATOM 556 N CYS A 40 9.824 7.485 9.072 1.00 10.00 N ATOM 557 CA CYS A 40 8.470 7.045 9.363 1.00 10.00 C ATOM 558 C CYS A 40 8.052 6.037 8.290 1.00 10.00 C ATOM 559 O CYS A 40 7.819 6.410 7.141 1.00 10.00 O ATOM 560 CB CYS A 40 7.498 8.223 9.450 1.00 10.00 C ATOM 561 SG CYS A 40 5.733 7.755 9.561 1.00 10.00 S ATOM 0 H CYS A 40 9.921 8.488 8.912 1.00 10.00 H new ATOM 0 HA CYS A 40 8.443 6.565 10.341 1.00 10.00 H new ATOM 0 HB2 CYS A 40 7.755 8.825 10.322 1.00 10.00 H new ATOM 0 HB3 CYS A 40 7.637 8.856 8.574 1.00 10.00 H new ATOM 566 N TYR A 41 7.969 4.781 8.703 1.00 10.00 N ATOM 567 CA TYR A 41 7.464 3.737 7.827 1.00 10.00 C ATOM 568 C TYR A 41 5.936 3.679 7.868 1.00 10.00 C ATOM 569 O TYR A 41 5.358 3.073 8.770 1.00 10.00 O ATOM 570 CB TYR A 41 8.027 2.423 8.370 1.00 10.00 C ATOM 571 CG TYR A 41 7.678 1.198 7.522 1.00 10.00 C ATOM 572 CD1 TYR A 41 8.367 0.950 6.352 1.00 10.00 C ATOM 573 CD2 TYR A 41 6.673 0.343 7.926 1.00 10.00 C ATOM 574 CE1 TYR A 41 8.038 -0.203 5.554 1.00 10.00 C ATOM 575 CE2 TYR A 41 6.344 -0.809 7.128 1.00 10.00 C ATOM 576 CZ TYR A 41 7.043 -1.025 5.981 1.00 10.00 C ATOM 577 OH TYR A 41 6.732 -2.114 5.227 1.00 10.00 O ATOM 0 H TYR A 41 8.243 4.462 9.632 1.00 10.00 H new ATOM 0 HA TYR A 41 7.761 3.924 6.795 1.00 10.00 H new ATOM 0 HB2 TYR A 41 9.112 2.506 8.441 1.00 10.00 H new ATOM 0 HB3 TYR A 41 7.652 2.270 9.382 1.00 10.00 H new ATOM 0 HD1 TYR A 41 9.152 1.620 6.035 1.00 10.00 H new ATOM 0 HD2 TYR A 41 6.133 0.538 8.841 1.00 10.00 H new ATOM 0 HE1 TYR A 41 8.570 -0.410 4.637 1.00 10.00 H new ATOM 0 HE2 TYR A 41 5.560 -1.486 7.433 1.00 10.00 H new ATOM 0 HH TYR A 41 6.003 -2.611 5.655 1.00 10.00 H new ATOM 587 N CYS A 42 5.324 4.317 6.881 1.00 10.00 N ATOM 588 CA CYS A 42 3.877 4.445 6.856 1.00 10.00 C ATOM 589 C CYS A 42 3.294 3.182 6.219 1.00 10.00 C ATOM 590 O CYS A 42 3.952 2.531 5.409 1.00 10.00 O ATOM 591 CB CYS A 42 3.434 5.712 6.121 1.00 10.00 C ATOM 592 SG CYS A 42 3.878 7.279 6.955 1.00 10.00 S ATOM 0 H CYS A 42 5.804 4.751 6.093 1.00 10.00 H new ATOM 0 HA CYS A 42 3.500 4.544 7.874 1.00 10.00 H new ATOM 0 HB2 CYS A 42 3.875 5.710 5.124 1.00 10.00 H new ATOM 0 HB3 CYS A 42 2.352 5.680 5.991 1.00 10.00 H new ATOM 597 N GLU A 43 2.066 2.874 6.609 1.00 10.00 N ATOM 598 CA GLU A 43 1.513 1.552 6.367 1.00 10.00 C ATOM 599 C GLU A 43 0.080 1.664 5.843 1.00 10.00 C ATOM 600 O GLU A 43 -0.779 2.254 6.496 1.00 10.00 O ATOM 601 CB GLU A 43 1.569 0.694 7.632 1.00 10.00 C ATOM 602 CG GLU A 43 3.009 0.289 7.957 1.00 10.00 C ATOM 603 CD GLU A 43 3.078 -0.470 9.283 1.00 10.00 C ATOM 604 OE1 GLU A 43 3.061 0.152 10.356 1.00 10.00 O ATOM 605 OE2 GLU A 43 3.152 -1.754 9.173 1.00 10.00 O ATOM 0 H GLU A 43 1.438 3.517 7.091 1.00 10.00 H new ATOM 0 HA GLU A 43 2.119 1.059 5.607 1.00 10.00 H new ATOM 0 HB2 GLU A 43 1.145 1.247 8.470 1.00 10.00 H new ATOM 0 HB3 GLU A 43 0.958 -0.199 7.498 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.405 -0.335 7.156 1.00 10.00 H new ATOM 0 HG3 GLU A 43 3.638 1.178 8.009 1.00 10.00 H new ATOM 613 N GLY A 44 -0.133 1.087 4.669 1.00 10.00 N ATOM 614 CA GLY A 44 -1.469 1.017 4.102 1.00 10.00 C ATOM 615 C GLY A 44 -1.795 2.284 3.308 1.00 10.00 C ATOM 616 O GLY A 44 -2.757 2.985 3.619 1.00 10.00 O ATOM 0 H GLY A 44 0.597 0.664 4.096 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -1.547 0.146 3.451 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -2.200 0.885 4.900 1.00 10.00 H new ATOM 620 N LEU A 45 -0.976 2.538 2.298 1.00 10.00 N ATOM 621 CA LEU A 45 -1.180 3.693 1.441 1.00 10.00 C ATOM 622 C LEU A 45 -1.981 3.273 0.208 1.00 10.00 C ATOM 623 O LEU A 45 -1.997 2.098 -0.155 1.00 10.00 O ATOM 624 CB LEU A 45 0.158 4.357 1.109 1.00 10.00 C ATOM 625 CG LEU A 45 0.890 5.016 2.280 1.00 10.00 C ATOM 626 CD1 LEU A 45 1.871 4.040 2.932 1.00 10.00 C ATOM 627 CD2 LEU A 45 1.576 6.310 1.840 1.00 10.00 C ATOM 0 H LEU A 45 -0.169 1.963 2.054 1.00 10.00 H new ATOM 0 HA LEU A 45 -1.766 4.452 1.958 1.00 10.00 H new ATOM 0 HB2 LEU A 45 0.815 3.605 0.673 1.00 10.00 H new ATOM 0 HB3 LEU A 45 -0.015 5.113 0.343 1.00 10.00 H new ATOM 0 HG LEU A 45 0.152 5.284 3.036 1.00 10.00 H new ATOM 0 HD11 LEU A 45 2.378 4.533 3.761 1.00 10.00 H new ATOM 0 HD12 LEU A 45 1.327 3.172 3.304 1.00 10.00 H new ATOM 0 HD13 LEU A 45 2.608 3.719 2.196 1.00 10.00 H new ATOM 0 HD21 LEU A 45 2.089 6.758 2.691 1.00 10.00 H new ATOM 0 HD22 LEU A 45 2.300 6.089 1.056 1.00 10.00 H new ATOM 0 HD23 LEU A 45 0.829 7.006 1.459 1.00 10.00 H new ATOM 639 N PRO A 46 -2.644 4.282 -0.419 1.00 10.00 N ATOM 640 CA PRO A 46 -3.115 4.133 -1.785 1.00 10.00 C ATOM 641 C PRO A 46 -1.956 4.231 -2.779 1.00 10.00 C ATOM 642 O PRO A 46 -0.935 4.853 -2.488 1.00 10.00 O ATOM 643 CB PRO A 46 -4.148 5.233 -1.967 1.00 10.00 C ATOM 644 CG PRO A 46 -3.883 6.241 -0.861 1.00 10.00 C ATOM 645 CD PRO A 46 -2.961 5.586 0.155 1.00 10.00 C ATOM 0 HA PRO A 46 -3.557 3.154 -1.973 1.00 10.00 H new ATOM 0 HB2 PRO A 46 -4.055 5.697 -2.949 1.00 10.00 H new ATOM 0 HB3 PRO A 46 -5.160 4.834 -1.897 1.00 10.00 H new ATOM 0 HG2 PRO A 46 -3.424 7.142 -1.268 1.00 10.00 H new ATOM 0 HG3 PRO A 46 -4.817 6.544 -0.389 1.00 10.00 H new ATOM 0 HD2 PRO A 46 -2.060 6.179 0.312 1.00 10.00 H new ATOM 0 HD3 PRO A 46 -3.449 5.484 1.124 1.00 10.00 H new ATOM 653 N GLU A 47 -2.152 3.607 -3.931 1.00 10.00 N ATOM 654 CA GLU A 47 -1.037 3.275 -4.801 1.00 10.00 C ATOM 655 C GLU A 47 -0.491 4.537 -5.471 1.00 10.00 C ATOM 656 O GLU A 47 0.614 4.529 -6.012 1.00 10.00 O ATOM 657 CB GLU A 47 -1.447 2.234 -5.845 1.00 10.00 C ATOM 658 CG GLU A 47 -2.294 2.869 -6.949 1.00 10.00 C ATOM 659 CD GLU A 47 -2.948 1.797 -7.824 1.00 10.00 C ATOM 660 OE1 GLU A 47 -2.353 1.364 -8.822 1.00 10.00 O ATOM 661 OE2 GLU A 47 -4.116 1.413 -7.434 1.00 10.00 O ATOM 0 H GLU A 47 -3.066 3.323 -4.282 1.00 10.00 H new ATOM 0 HA GLU A 47 -0.245 2.839 -4.192 1.00 10.00 H new ATOM 0 HB2 GLU A 47 -0.557 1.780 -6.280 1.00 10.00 H new ATOM 0 HB3 GLU A 47 -2.010 1.434 -5.364 1.00 10.00 H new ATOM 0 HG2 GLU A 47 -3.064 3.500 -6.504 1.00 10.00 H new ATOM 0 HG3 GLU A 47 -1.669 3.515 -7.565 1.00 10.00 H new ATOM 669 N ASN A 48 -1.291 5.592 -5.414 1.00 10.00 N ATOM 670 CA ASN A 48 -0.939 6.835 -6.079 1.00 10.00 C ATOM 671 C ASN A 48 0.227 7.493 -5.338 1.00 10.00 C ATOM 672 O ASN A 48 1.004 8.237 -5.934 1.00 10.00 O ATOM 673 CB ASN A 48 -2.115 7.814 -6.074 1.00 10.00 C ATOM 674 CG ASN A 48 -2.494 8.209 -4.646 1.00 10.00 C ATOM 675 OD1 ASN A 48 -2.460 7.411 -3.724 1.00 10.00 O ATOM 676 ND2 ASN A 48 -2.854 9.483 -4.515 1.00 10.00 N ATOM 0 H ASN A 48 -2.182 5.611 -4.917 1.00 10.00 H new ATOM 0 HA ASN A 48 -0.668 6.602 -7.109 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -1.853 8.705 -6.644 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -2.973 7.360 -6.569 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.124 9.845 -3.600 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -2.860 10.097 -5.329 1.00 10.00 H new ATOM 683 N ALA A 49 0.312 7.195 -4.050 1.00 10.00 N ATOM 684 CA ALA A 49 1.335 7.792 -3.209 1.00 10.00 C ATOM 685 C ALA A 49 2.644 7.017 -3.378 1.00 10.00 C ATOM 686 O ALA A 49 2.696 5.816 -3.119 1.00 10.00 O ATOM 687 CB ALA A 49 0.854 7.815 -1.757 1.00 10.00 C ATOM 0 H ALA A 49 -0.311 6.547 -3.568 1.00 10.00 H new ATOM 0 HA ALA A 49 1.522 8.824 -3.506 1.00 10.00 H new ATOM 0 HB1 ALA A 49 1.622 8.263 -1.126 1.00 10.00 H new ATOM 0 HB2 ALA A 49 -0.062 8.402 -1.686 1.00 10.00 H new ATOM 0 HB3 ALA A 49 0.659 6.796 -1.422 1.00 10.00 H new ATOM 693 N LYS A 50 3.668 7.736 -3.812 1.00 10.00 N ATOM 694 CA LYS A 50 4.955 7.118 -4.084 1.00 10.00 C ATOM 695 C LYS A 50 5.700 6.900 -2.767 1.00 10.00 C ATOM 696 O LYS A 50 5.811 7.815 -1.953 1.00 10.00 O ATOM 697 CB LYS A 50 5.740 7.943 -5.106 1.00 10.00 C ATOM 698 CG LYS A 50 6.916 7.142 -5.670 1.00 10.00 C ATOM 699 CD LYS A 50 8.196 7.418 -4.878 1.00 10.00 C ATOM 700 CE LYS A 50 9.315 6.462 -5.296 1.00 10.00 C ATOM 701 NZ LYS A 50 10.491 6.623 -4.413 1.00 10.00 N ATOM 0 H LYS A 50 3.633 8.741 -3.982 1.00 10.00 H new ATOM 0 HA LYS A 50 4.818 6.137 -4.539 1.00 10.00 H new ATOM 0 HB2 LYS A 50 5.079 8.247 -5.918 1.00 10.00 H new ATOM 0 HB3 LYS A 50 6.108 8.855 -4.637 1.00 10.00 H new ATOM 0 HG2 LYS A 50 6.685 6.077 -5.636 1.00 10.00 H new ATOM 0 HG3 LYS A 50 7.069 7.402 -6.718 1.00 10.00 H new ATOM 0 HD2 LYS A 50 8.513 8.448 -5.040 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.999 7.309 -3.812 1.00 10.00 H new ATOM 0 HE2 LYS A 50 8.958 5.433 -5.252 1.00 10.00 H new ATOM 0 HE3 LYS A 50 9.600 6.656 -6.330 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 11.241 5.967 -4.711 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 10.841 7.600 -4.476 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 10.219 6.415 -3.431 1.00 10.00 H new ATOM 714 N VAL A 51 6.193 5.682 -2.597 1.00 10.00 N ATOM 715 CA VAL A 51 6.947 5.338 -1.403 1.00 10.00 C ATOM 716 C VAL A 51 8.282 4.712 -1.810 1.00 10.00 C ATOM 717 O VAL A 51 8.376 4.063 -2.851 1.00 10.00 O ATOM 718 CB VAL A 51 6.111 4.429 -0.500 1.00 10.00 C ATOM 719 CG1 VAL A 51 4.688 4.969 -0.346 1.00 10.00 C ATOM 720 CG2 VAL A 51 6.099 2.993 -1.028 1.00 10.00 C ATOM 0 H VAL A 51 6.085 4.920 -3.267 1.00 10.00 H new ATOM 0 HA VAL A 51 7.172 6.233 -0.823 1.00 10.00 H new ATOM 0 HB VAL A 51 6.574 4.419 0.487 1.00 10.00 H new ATOM 0 HG11 VAL A 51 4.115 4.305 0.300 1.00 10.00 H new ATOM 0 HG12 VAL A 51 4.723 5.965 0.096 1.00 10.00 H new ATOM 0 HG13 VAL A 51 4.211 5.023 -1.325 1.00 10.00 H new ATOM 0 HG21 VAL A 51 5.498 2.368 -0.368 1.00 10.00 H new ATOM 0 HG22 VAL A 51 5.672 2.978 -2.031 1.00 10.00 H new ATOM 0 HG23 VAL A 51 7.119 2.609 -1.062 1.00 10.00 H new ATOM 730 N SER A 52 9.282 4.929 -0.969 1.00 10.00 N ATOM 731 CA SER A 52 10.463 4.082 -0.975 1.00 10.00 C ATOM 732 C SER A 52 10.256 2.889 -0.041 1.00 10.00 C ATOM 733 O SER A 52 9.456 2.957 0.891 1.00 10.00 O ATOM 734 CB SER A 52 11.708 4.870 -0.563 1.00 10.00 C ATOM 735 OG SER A 52 12.795 4.013 -0.225 1.00 10.00 O ATOM 0 H SER A 52 9.299 5.679 -0.278 1.00 10.00 H new ATOM 0 HA SER A 52 10.617 3.717 -1.990 1.00 10.00 H new ATOM 0 HB2 SER A 52 12.006 5.529 -1.378 1.00 10.00 H new ATOM 0 HB3 SER A 52 11.469 5.506 0.290 1.00 10.00 H new ATOM 0 HG SER A 52 13.473 4.050 -0.932 1.00 10.00 H new ATOM 741 N ASP A 53 10.992 1.823 -0.322 1.00 10.00 N ATOM 742 CA ASP A 53 10.964 0.648 0.532 1.00 10.00 C ATOM 743 C ASP A 53 12.361 0.026 0.582 1.00 10.00 C ATOM 744 O ASP A 53 12.499 -1.194 0.652 1.00 10.00 O ATOM 745 CB ASP A 53 9.997 -0.405 -0.012 1.00 10.00 C ATOM 746 CG ASP A 53 10.336 -0.936 -1.406 1.00 10.00 C ATOM 747 OD1 ASP A 53 9.925 -2.043 -1.785 1.00 10.00 O ATOM 748 OD2 ASP A 53 11.065 -0.152 -2.126 1.00 10.00 O ATOM 0 H ASP A 53 11.611 1.749 -1.129 1.00 10.00 H new ATOM 0 HA ASP A 53 10.637 0.960 1.524 1.00 10.00 H new ATOM 0 HB2 ASP A 53 9.969 -1.244 0.683 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.995 0.022 -0.036 1.00 10.00 H new ATOM 754 N SER A 54 13.362 0.894 0.543 1.00 10.00 N ATOM 755 CA SER A 54 14.743 0.442 0.507 1.00 10.00 C ATOM 756 C SER A 54 15.664 1.532 1.059 1.00 10.00 C ATOM 757 O SER A 54 16.465 2.104 0.321 1.00 10.00 O ATOM 758 CB SER A 54 15.161 0.064 -0.916 1.00 10.00 C ATOM 759 OG SER A 54 14.775 1.053 -1.866 1.00 10.00 O ATOM 0 H SER A 54 13.244 1.907 0.536 1.00 10.00 H new ATOM 0 HA SER A 54 14.829 -0.448 1.131 1.00 10.00 H new ATOM 0 HB2 SER A 54 16.242 -0.071 -0.952 1.00 10.00 H new ATOM 0 HB3 SER A 54 14.711 -0.892 -1.184 1.00 10.00 H new ATOM 0 HG SER A 54 14.982 1.944 -1.513 1.00 10.00 H new ATOM 765 N ALA A 55 15.520 1.786 2.351 1.00 10.00 N ATOM 766 CA ALA A 55 16.469 2.628 3.059 1.00 10.00 C ATOM 767 C ALA A 55 16.539 3.995 2.376 1.00 10.00 C ATOM 768 O ALA A 55 17.616 4.446 1.989 1.00 10.00 O ATOM 769 CB ALA A 55 17.831 1.932 3.109 1.00 10.00 C ATOM 0 H ALA A 55 14.760 1.423 2.926 1.00 10.00 H new ATOM 0 HA ALA A 55 16.146 2.789 4.088 1.00 10.00 H new ATOM 0 HB1 ALA A 55 18.543 2.564 3.640 1.00 10.00 H new ATOM 0 HB2 ALA A 55 17.734 0.979 3.628 1.00 10.00 H new ATOM 0 HB3 ALA A 55 18.188 1.757 2.094 1.00 10.00 H new ATOM 775 N THR A 56 15.376 4.618 2.250 1.00 10.00 N ATOM 776 CA THR A 56 15.315 6.022 1.879 1.00 10.00 C ATOM 777 C THR A 56 15.579 6.189 0.381 1.00 10.00 C ATOM 778 O THR A 56 14.669 6.515 -0.380 1.00 10.00 O ATOM 779 CB THR A 56 16.305 6.787 2.759 1.00 10.00 C ATOM 780 OG1 THR A 56 16.109 6.239 4.060 1.00 10.00 O ATOM 781 CG2 THR A 56 15.931 8.262 2.916 1.00 10.00 C ATOM 0 H THR A 56 14.469 4.176 2.398 1.00 10.00 H new ATOM 0 HA THR A 56 14.320 6.434 2.050 1.00 10.00 H new ATOM 0 HB THR A 56 17.305 6.710 2.331 1.00 10.00 H new ATOM 0 HG1 THR A 56 16.714 6.678 4.694 1.00 10.00 H new ATOM 0 HG21 THR A 56 16.666 8.758 3.550 1.00 10.00 H new ATOM 0 HG22 THR A 56 15.915 8.740 1.936 1.00 10.00 H new ATOM 0 HG23 THR A 56 14.945 8.341 3.374 1.00 10.00 H new ATOM 789 N ASN A 57 16.827 5.959 0.003 1.00 10.00 N ATOM 790 CA ASN A 57 17.270 6.268 -1.346 1.00 10.00 C ATOM 791 C ASN A 57 16.544 7.520 -1.842 1.00 10.00 C ATOM 792 O ASN A 57 16.002 7.532 -2.946 1.00 10.00 O ATOM 793 CB ASN A 57 16.947 5.122 -2.307 1.00 10.00 C ATOM 794 CG ASN A 57 15.455 4.785 -2.276 1.00 10.00 C ATOM 795 OD1 ASN A 57 15.133 3.834 -1.403 1.00 10.00 O flip ATOM 796 ND2 ASN A 57 14.649 5.350 -2.997 1.00 10.00 N flip ATOM 0 H ASN A 57 17.546 5.562 0.607 1.00 10.00 H new ATOM 0 HA ASN A 57 18.348 6.424 -1.320 1.00 10.00 H new ATOM 0 HB2 ASN A 57 17.240 5.398 -3.320 1.00 10.00 H new ATOM 0 HB3 ASN A 57 17.528 4.241 -2.036 1.00 10.00 H new ATOM 0 HD21 ASN A 57 14.963 6.072 -3.646 1.00 10.00 H new ATOM 0 HD22 ASN A 57 13.661 5.100 -2.951 1.00 10.00 H new ATOM 803 N ILE A 58 16.557 8.545 -1.002 1.00 10.00 N ATOM 804 CA ILE A 58 16.023 9.839 -1.391 1.00 10.00 C ATOM 805 C ILE A 58 16.608 10.922 -0.483 1.00 10.00 C ATOM 806 O ILE A 58 16.724 10.727 0.726 1.00 10.00 O ATOM 807 CB ILE A 58 14.494 9.806 -1.402 1.00 10.00 C ATOM 808 CG1 ILE A 58 13.952 9.954 -2.825 1.00 10.00 C ATOM 809 CG2 ILE A 58 13.916 10.860 -0.456 1.00 10.00 C ATOM 810 CD1 ILE A 58 12.510 9.451 -2.918 1.00 10.00 C ATOM 0 H ILE A 58 16.929 8.505 -0.053 1.00 10.00 H new ATOM 0 HA ILE A 58 16.321 10.083 -2.411 1.00 10.00 H new ATOM 0 HB ILE A 58 14.171 8.832 -1.035 1.00 10.00 H new ATOM 0 HG12 ILE A 58 13.996 11.000 -3.128 1.00 10.00 H new ATOM 0 HG13 ILE A 58 14.581 9.395 -3.518 1.00 10.00 H new ATOM 0 HG21 ILE A 58 12.827 10.815 -0.483 1.00 10.00 H new ATOM 0 HG22 ILE A 58 14.262 10.667 0.559 1.00 10.00 H new ATOM 0 HG23 ILE A 58 14.246 11.850 -0.769 1.00 10.00 H new ATOM 0 HD11 ILE A 58 12.149 9.568 -3.940 1.00 10.00 H new ATOM 0 HD12 ILE A 58 12.473 8.398 -2.638 1.00 10.00 H new ATOM 0 HD13 ILE A 58 11.879 10.028 -2.242 1.00 10.00 H new ATOM 822 N CYS A 59 16.962 12.039 -1.100 1.00 10.00 N ATOM 823 CA CYS A 59 17.808 13.022 -0.443 1.00 10.00 C ATOM 824 C CYS A 59 18.890 12.277 0.340 1.00 10.00 C ATOM 825 O CYS A 59 19.132 12.575 1.509 1.00 10.00 O ATOM 826 CB CYS A 59 16.995 13.957 0.455 1.00 10.00 C ATOM 827 SG CYS A 59 15.972 15.183 -0.439 1.00 10.00 S ATOM 0 H CYS A 59 16.679 12.286 -2.048 1.00 10.00 H new ATOM 0 HA CYS A 59 18.277 13.661 -1.191 1.00 10.00 H new ATOM 0 HB2 CYS A 59 16.344 13.354 1.088 1.00 10.00 H new ATOM 0 HB3 CYS A 59 17.679 14.489 1.116 1.00 10.00 H new ATOM 832 N GLY A 60 19.513 11.322 -0.335 1.00 10.00 N ATOM 833 CA GLY A 60 20.397 10.384 0.337 1.00 10.00 C ATOM 834 C GLY A 60 19.601 9.406 1.203 1.00 10.00 C ATOM 835 O GLY A 60 18.834 8.596 0.686 1.00 10.00 O ATOM 0 H GLY A 60 19.423 11.177 -1.341 1.00 10.00 H new ATOM 0 HA2 GLY A 60 20.977 9.832 -0.402 1.00 10.00 H new ATOM 0 HA3 GLY A 60 21.108 10.929 0.958 1.00 10.00 H new TER 839 GLY A 60