USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=18 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 39 SER OG : rot 31:sc= 0.932 USER MOD Set 1.2: A 56 THR OG1 : rot 140:sc= 0 USER MOD Set 2.1: A 52 SER OG : rot 83:sc= 2.18 USER MOD Set 2.2: A 54 SER OG : rot -170:sc= 1.05 USER MOD Set 2.3: A 57 ASN : amide:sc= -0.0856 X(o=3.1,f=3) USER MOD Single : A 1 LYS N :NH3+ 148:sc= 0.0105 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0426 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -143:sc= -0.0709 (180deg=-0.804) 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= -0.404 X(o=-0.4,f=-0.46) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.65 K(o=-0.65,f=-5.7!) USER MOD Single : A 24 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.071) USER MOD Single : A 26 LYS NZ :NH3+ 166:sc= 0.933 (180deg=0.824) USER MOD Single : A 27 MET CE :methyl -167:sc= -0.0172 (180deg=-0.221) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0048 (180deg=-0.144) USER MOD Single : A 29 LYS NZ :NH3+ 138:sc= 0.165 (180deg=0) USER MOD Single : A 31 SER OG : rot -48:sc= 0.918 USER MOD Single : A 34 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.45) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -179:sc= 0 (180deg=-0.00182) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.525 K(o=-0.53,f=-2.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=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 0.493 1.357 1.00 10.00 C ATOM 4 O LYS A 1 1.469 1.492 1.881 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.806 -1.185 1.00 10.00 C ATOM 6 CG LYS A 1 3.461 0.481 -1.448 1.00 10.00 C ATOM 7 CD LYS A 1 3.598 -0.705 -2.405 1.00 10.00 C ATOM 8 CE LYS A 1 5.063 -1.119 -2.559 1.00 10.00 C ATOM 9 NZ LYS A 1 5.473 -1.997 -1.440 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 0.204 -0.959 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 -0.933 0.302 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 0.728 0.656 1.00 10.00 H new ATOM 0 HA LYS A 1 1.833 -1.013 -0.134 1.00 10.00 H new ATOM 0 HB2 LYS A 1 1.400 0.586 -2.075 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.878 1.872 -0.984 1.00 10.00 H new ATOM 0 HG2 LYS A 1 3.960 1.353 -1.870 1.00 10.00 H new ATOM 0 HG3 LYS A 1 3.961 0.253 -0.507 1.00 10.00 H new ATOM 0 HD2 LYS A 1 3.016 -1.547 -2.032 1.00 10.00 H new ATOM 0 HD3 LYS A 1 3.187 -0.440 -3.379 1.00 10.00 H new ATOM 0 HE2 LYS A 1 5.203 -1.639 -3.507 1.00 10.00 H new ATOM 0 HE3 LYS A 1 5.697 -0.233 -2.585 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 6.470 -2.269 -1.559 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 5.358 -1.489 -0.540 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 4.879 -2.851 -1.433 1.00 10.00 H new ATOM 22 N ASP A 2 2.932 -0.232 1.889 1.00 10.00 N ATOM 23 CA ASP A 2 3.510 0.119 3.175 1.00 10.00 C ATOM 24 C ASP A 2 5.000 -0.228 3.172 1.00 10.00 C ATOM 25 O ASP A 2 5.421 -1.166 2.497 1.00 10.00 O ATOM 26 CB ASP A 2 2.845 -0.664 4.309 1.00 10.00 C ATOM 27 CG ASP A 2 1.318 -0.728 4.243 1.00 10.00 C ATOM 28 OD1 ASP A 2 0.732 -1.803 4.050 1.00 10.00 O ATOM 29 OD2 ASP A 2 0.718 0.403 4.400 1.00 10.00 O ATOM 0 H ASP A 2 3.335 -1.061 1.453 1.00 10.00 H new ATOM 0 HA ASP A 2 3.356 1.186 3.334 1.00 10.00 H new ATOM 0 HB2 ASP A 2 3.237 -1.681 4.306 1.00 10.00 H new ATOM 0 HB3 ASP A 2 3.134 -0.214 5.259 1.00 10.00 H new ATOM 35 N GLY A 3 5.757 0.548 3.933 1.00 10.00 N ATOM 36 CA GLY A 3 7.173 0.272 4.110 1.00 10.00 C ATOM 37 C GLY A 3 7.951 1.558 4.394 1.00 10.00 C ATOM 38 O GLY A 3 7.367 2.569 4.779 1.00 10.00 O ATOM 0 H GLY A 3 5.417 1.368 4.435 1.00 10.00 H new ATOM 0 HA2 GLY A 3 7.310 -0.430 4.933 1.00 10.00 H new ATOM 0 HA3 GLY A 3 7.569 -0.206 3.214 1.00 10.00 H new ATOM 42 N TYR A 4 9.258 1.477 4.192 1.00 10.00 N ATOM 43 CA TYR A 4 10.120 2.629 4.397 1.00 10.00 C ATOM 44 C TYR A 4 10.417 3.333 3.071 1.00 10.00 C ATOM 45 O TYR A 4 11.077 2.770 2.199 1.00 10.00 O ATOM 46 CB TYR A 4 11.426 2.081 4.974 1.00 10.00 C ATOM 47 CG TYR A 4 11.241 1.219 6.224 1.00 10.00 C ATOM 48 CD1 TYR A 4 11.120 1.816 7.462 1.00 10.00 C ATOM 49 CD2 TYR A 4 11.195 -0.156 6.113 1.00 10.00 C ATOM 50 CE1 TYR A 4 10.946 1.004 8.639 1.00 10.00 C ATOM 51 CE2 TYR A 4 11.020 -0.968 7.290 1.00 10.00 C ATOM 52 CZ TYR A 4 10.905 -0.348 8.494 1.00 10.00 C ATOM 53 OH TYR A 4 10.740 -1.114 9.606 1.00 10.00 O ATOM 0 H TYR A 4 9.741 0.631 3.888 1.00 10.00 H new ATOM 0 HA TYR A 4 9.643 3.353 5.058 1.00 10.00 H new ATOM 0 HB2 TYR A 4 11.929 1.490 4.209 1.00 10.00 H new ATOM 0 HB3 TYR A 4 12.083 2.916 5.215 1.00 10.00 H new ATOM 0 HD1 TYR A 4 11.156 2.892 7.549 1.00 10.00 H new ATOM 0 HD2 TYR A 4 11.290 -0.623 5.144 1.00 10.00 H new ATOM 0 HE1 TYR A 4 10.850 1.458 9.614 1.00 10.00 H new ATOM 0 HE2 TYR A 4 10.981 -2.045 7.217 1.00 10.00 H new ATOM 0 HH TYR A 4 10.728 -2.061 9.352 1.00 10.00 H new ATOM 63 N PRO A 5 9.903 4.587 2.959 1.00 10.00 N ATOM 64 CA PRO A 5 9.927 5.295 1.690 1.00 10.00 C ATOM 65 C PRO A 5 11.334 5.806 1.374 1.00 10.00 C ATOM 66 O PRO A 5 12.116 6.082 2.282 1.00 10.00 O ATOM 67 CB PRO A 5 8.909 6.413 1.844 1.00 10.00 C ATOM 68 CG PRO A 5 8.693 6.577 3.339 1.00 10.00 C ATOM 69 CD PRO A 5 9.287 5.362 4.032 1.00 10.00 C ATOM 0 HA PRO A 5 9.671 4.655 0.846 1.00 10.00 H new ATOM 0 HB2 PRO A 5 9.275 7.338 1.398 1.00 10.00 H new ATOM 0 HB3 PRO A 5 7.976 6.163 1.340 1.00 10.00 H new ATOM 0 HG2 PRO A 5 9.169 7.490 3.695 1.00 10.00 H new ATOM 0 HG3 PRO A 5 7.630 6.663 3.564 1.00 10.00 H new ATOM 0 HD2 PRO A 5 10.022 5.654 4.782 1.00 10.00 H new ATOM 0 HD3 PRO A 5 8.519 4.785 4.547 1.00 10.00 H new ATOM 77 N VAL A 6 11.612 5.918 0.083 1.00 10.00 N ATOM 78 CA VAL A 6 12.898 6.427 -0.364 1.00 10.00 C ATOM 79 C VAL A 6 12.730 7.093 -1.731 1.00 10.00 C ATOM 80 O VAL A 6 12.156 6.505 -2.645 1.00 10.00 O ATOM 81 CB VAL A 6 13.933 5.300 -0.371 1.00 10.00 C ATOM 82 CG1 VAL A 6 13.298 3.974 -0.796 1.00 10.00 C ATOM 83 CG2 VAL A 6 15.120 5.652 -1.269 1.00 10.00 C ATOM 0 H VAL A 6 10.969 5.665 -0.667 1.00 10.00 H new ATOM 0 HA VAL A 6 13.269 7.186 0.324 1.00 10.00 H new ATOM 0 HB VAL A 6 14.306 5.181 0.646 1.00 10.00 H new ATOM 0 HG11 VAL A 6 14.055 3.190 -0.792 1.00 10.00 H new ATOM 0 HG12 VAL A 6 12.502 3.712 -0.099 1.00 10.00 H new ATOM 0 HG13 VAL A 6 12.884 4.074 -1.799 1.00 10.00 H new ATOM 0 HG21 VAL A 6 15.841 4.835 -1.256 1.00 10.00 H new ATOM 0 HG22 VAL A 6 14.770 5.811 -2.289 1.00 10.00 H new ATOM 0 HG23 VAL A 6 15.596 6.561 -0.903 1.00 10.00 H new ATOM 93 N ASP A 7 13.243 8.311 -1.826 1.00 10.00 N ATOM 94 CA ASP A 7 13.195 9.047 -3.078 1.00 10.00 C ATOM 95 C ASP A 7 14.094 10.281 -2.974 1.00 10.00 C ATOM 96 O ASP A 7 15.239 10.259 -3.424 1.00 10.00 O ATOM 97 CB ASP A 7 11.773 9.522 -3.384 1.00 10.00 C ATOM 98 CG ASP A 7 10.881 9.722 -2.158 1.00 10.00 C ATOM 99 OD1 ASP A 7 9.906 8.983 -1.950 1.00 10.00 O ATOM 100 OD2 ASP A 7 11.224 10.697 -1.386 1.00 10.00 O ATOM 0 H ASP A 7 13.694 8.806 -1.057 1.00 10.00 H new ATOM 0 HA ASP A 7 13.532 8.382 -3.873 1.00 10.00 H new ATOM 0 HB2 ASP A 7 11.830 10.463 -3.931 1.00 10.00 H new ATOM 0 HB3 ASP A 7 11.298 8.797 -4.046 1.00 10.00 H new ATOM 106 N SER A 8 13.542 11.327 -2.379 1.00 10.00 N ATOM 107 CA SER A 8 14.079 12.664 -2.565 1.00 10.00 C ATOM 108 C SER A 8 15.221 12.912 -1.576 1.00 10.00 C ATOM 109 O SER A 8 16.259 13.457 -1.946 1.00 10.00 O ATOM 110 CB SER A 8 12.990 13.725 -2.394 1.00 10.00 C ATOM 111 OG SER A 8 12.453 13.731 -1.074 1.00 10.00 O ATOM 0 H SER A 8 12.728 11.276 -1.767 1.00 10.00 H new ATOM 0 HA SER A 8 14.464 12.738 -3.582 1.00 10.00 H new ATOM 0 HB2 SER A 8 13.402 14.708 -2.622 1.00 10.00 H new ATOM 0 HB3 SER A 8 12.189 13.541 -3.110 1.00 10.00 H new ATOM 0 HG SER A 8 11.762 14.423 -1.005 1.00 10.00 H new ATOM 117 N LYS A 9 14.989 12.499 -0.339 1.00 10.00 N ATOM 118 CA LYS A 9 15.986 12.665 0.705 1.00 10.00 C ATOM 119 C LYS A 9 16.799 11.376 0.838 1.00 10.00 C ATOM 120 O LYS A 9 17.832 11.355 1.504 1.00 10.00 O ATOM 121 CB LYS A 9 15.326 13.113 2.010 1.00 10.00 C ATOM 122 CG LYS A 9 14.337 12.061 2.514 1.00 10.00 C ATOM 123 CD LYS A 9 12.898 12.575 2.429 1.00 10.00 C ATOM 124 CE LYS A 9 12.594 13.544 3.574 1.00 10.00 C ATOM 125 NZ LYS A 9 11.255 14.150 3.398 1.00 10.00 N ATOM 0 H LYS A 9 14.125 12.050 -0.036 1.00 10.00 H new ATOM 0 HA LYS A 9 16.686 13.458 0.440 1.00 10.00 H new ATOM 0 HB2 LYS A 9 16.091 13.290 2.766 1.00 10.00 H new ATOM 0 HB3 LYS A 9 14.808 14.059 1.853 1.00 10.00 H new ATOM 0 HG2 LYS A 9 14.437 11.150 1.923 1.00 10.00 H new ATOM 0 HG3 LYS A 9 14.573 11.800 3.545 1.00 10.00 H new ATOM 0 HD2 LYS A 9 12.743 13.075 1.473 1.00 10.00 H new ATOM 0 HD3 LYS A 9 12.205 11.735 2.465 1.00 10.00 H new ATOM 0 HE2 LYS A 9 12.638 13.016 4.527 1.00 10.00 H new ATOM 0 HE3 LYS A 9 13.352 14.326 3.607 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 11.064 14.805 4.183 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 11.225 14.670 2.498 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 10.533 13.401 3.389 1.00 10.00 H new ATOM 138 N GLY A 10 16.301 10.331 0.193 1.00 10.00 N ATOM 139 CA GLY A 10 17.041 9.084 0.103 1.00 10.00 C ATOM 140 C GLY A 10 16.796 8.211 1.336 1.00 10.00 C ATOM 141 O GLY A 10 16.024 7.256 1.281 1.00 10.00 O ATOM 0 H GLY A 10 15.393 10.323 -0.272 1.00 10.00 H new ATOM 0 HA2 GLY A 10 16.742 8.543 -0.795 1.00 10.00 H new ATOM 0 HA3 GLY A 10 18.106 9.295 0.008 1.00 10.00 H new ATOM 145 N CYS A 11 17.468 8.572 2.419 1.00 10.00 N ATOM 146 CA CYS A 11 17.616 7.664 3.544 1.00 10.00 C ATOM 147 C CYS A 11 16.558 8.020 4.591 1.00 10.00 C ATOM 148 O CYS A 11 16.870 8.633 5.611 1.00 10.00 O ATOM 149 CB CYS A 11 19.031 7.709 4.125 1.00 10.00 C ATOM 150 SG CYS A 11 20.342 7.105 2.999 1.00 10.00 S ATOM 0 H CYS A 11 17.916 9.480 2.542 1.00 10.00 H new ATOM 0 HA CYS A 11 17.464 6.638 3.209 1.00 10.00 H new ATOM 0 HB2 CYS A 11 19.260 8.736 4.408 1.00 10.00 H new ATOM 0 HB3 CYS A 11 19.053 7.114 5.038 1.00 10.00 H new ATOM 155 N LYS A 12 15.329 7.619 4.303 1.00 10.00 N ATOM 156 CA LYS A 12 14.325 7.478 5.344 1.00 10.00 C ATOM 157 C LYS A 12 13.875 8.866 5.804 1.00 10.00 C ATOM 158 O LYS A 12 14.490 9.871 5.451 1.00 10.00 O ATOM 159 CB LYS A 12 14.848 6.594 6.477 1.00 10.00 C ATOM 160 CG LYS A 12 15.436 5.291 5.930 1.00 10.00 C ATOM 161 CD LYS A 12 14.328 4.314 5.532 1.00 10.00 C ATOM 162 CE LYS A 12 14.712 3.531 4.276 1.00 10.00 C ATOM 163 NZ LYS A 12 14.481 4.348 3.064 1.00 10.00 N ATOM 0 H LYS A 12 15.005 7.387 3.364 1.00 10.00 H new ATOM 0 HA LYS A 12 13.443 6.969 4.956 1.00 10.00 H new ATOM 0 HB2 LYS A 12 15.610 7.132 7.041 1.00 10.00 H new ATOM 0 HB3 LYS A 12 14.038 6.369 7.171 1.00 10.00 H new ATOM 0 HG2 LYS A 12 16.064 5.506 5.065 1.00 10.00 H new ATOM 0 HG3 LYS A 12 16.077 4.833 6.683 1.00 10.00 H new ATOM 0 HD2 LYS A 12 14.137 3.622 6.352 1.00 10.00 H new ATOM 0 HD3 LYS A 12 13.402 4.861 5.355 1.00 10.00 H new ATOM 0 HE2 LYS A 12 15.761 3.238 4.330 1.00 10.00 H new ATOM 0 HE3 LYS A 12 14.127 2.613 4.220 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 14.133 3.739 2.296 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 13.775 5.083 3.270 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 15.373 4.796 2.772 1.00 10.00 H new ATOM 176 N LEU A 13 12.805 8.877 6.586 1.00 10.00 N ATOM 177 CA LEU A 13 12.304 10.119 7.151 1.00 10.00 C ATOM 178 C LEU A 13 12.820 10.267 8.583 1.00 10.00 C ATOM 179 O LEU A 13 12.529 11.258 9.252 1.00 10.00 O ATOM 180 CB LEU A 13 10.780 10.182 7.036 1.00 10.00 C ATOM 181 CG LEU A 13 10.186 9.705 5.709 1.00 10.00 C ATOM 182 CD1 LEU A 13 8.661 9.825 5.716 1.00 10.00 C ATOM 183 CD2 LEU A 13 10.814 10.448 4.529 1.00 10.00 C ATOM 0 H LEU A 13 12.271 8.046 6.842 1.00 10.00 H new ATOM 0 HA LEU A 13 12.679 10.973 6.588 1.00 10.00 H new ATOM 0 HB2 LEU A 13 10.350 9.584 7.839 1.00 10.00 H new ATOM 0 HB3 LEU A 13 10.465 11.212 7.202 1.00 10.00 H new ATOM 0 HG LEU A 13 10.425 8.648 5.588 1.00 10.00 H new ATOM 0 HD11 LEU A 13 8.264 9.479 4.761 1.00 10.00 H new ATOM 0 HD12 LEU A 13 8.252 9.215 6.521 1.00 10.00 H new ATOM 0 HD13 LEU A 13 8.379 10.866 5.871 1.00 10.00 H new ATOM 0 HD21 LEU A 13 10.374 10.090 3.598 1.00 10.00 H new ATOM 0 HD22 LEU A 13 10.627 11.517 4.631 1.00 10.00 H new ATOM 0 HD23 LEU A 13 11.889 10.267 4.516 1.00 10.00 H new ATOM 195 N SER A 14 13.576 9.268 9.013 1.00 10.00 N ATOM 196 CA SER A 14 14.403 9.411 10.198 1.00 10.00 C ATOM 197 C SER A 14 13.568 9.153 11.454 1.00 10.00 C ATOM 198 O SER A 14 13.880 8.259 12.239 1.00 10.00 O ATOM 199 CB SER A 14 15.040 10.801 10.261 1.00 10.00 C ATOM 200 OG SER A 14 16.236 10.806 11.036 1.00 10.00 O ATOM 0 H SER A 14 13.633 8.355 8.561 1.00 10.00 H new ATOM 0 HA SER A 14 15.205 8.675 10.145 1.00 10.00 H new ATOM 0 HB2 SER A 14 15.261 11.144 9.250 1.00 10.00 H new ATOM 0 HB3 SER A 14 14.328 11.507 10.689 1.00 10.00 H new ATOM 0 HG SER A 14 16.613 11.711 11.050 1.00 10.00 H new ATOM 206 N CYS A 15 12.522 9.952 11.604 1.00 10.00 N ATOM 207 CA CYS A 15 11.723 9.920 12.818 1.00 10.00 C ATOM 208 C CYS A 15 12.668 9.764 14.011 1.00 10.00 C ATOM 209 O CYS A 15 12.907 8.651 14.476 1.00 10.00 O ATOM 210 CB CYS A 15 10.672 8.809 12.773 1.00 10.00 C ATOM 211 SG CYS A 15 11.349 7.118 12.591 1.00 10.00 S ATOM 0 H CYS A 15 12.209 10.626 10.905 1.00 10.00 H new ATOM 0 HA CYS A 15 11.167 10.853 12.916 1.00 10.00 H new ATOM 0 HB2 CYS A 15 10.080 8.851 13.687 1.00 10.00 H new ATOM 0 HB3 CYS A 15 9.993 9.004 11.943 1.00 10.00 H new ATOM 216 N VAL A 16 13.180 10.896 14.471 1.00 10.00 N ATOM 217 CA VAL A 16 14.104 10.897 15.592 1.00 10.00 C ATOM 218 C VAL A 16 13.331 10.628 16.885 1.00 10.00 C ATOM 219 O VAL A 16 13.923 10.285 17.907 1.00 10.00 O ATOM 220 CB VAL A 16 14.885 12.213 15.625 1.00 10.00 C ATOM 221 CG1 VAL A 16 15.769 12.295 16.871 1.00 10.00 C ATOM 222 CG2 VAL A 16 15.714 12.391 14.352 1.00 10.00 C ATOM 0 H VAL A 16 12.973 11.818 14.088 1.00 10.00 H new ATOM 0 HA VAL A 16 14.840 10.100 15.481 1.00 10.00 H new ATOM 0 HB VAL A 16 14.164 13.029 15.672 1.00 10.00 H new ATOM 0 HG11 VAL A 16 16.313 13.240 16.870 1.00 10.00 H new ATOM 0 HG12 VAL A 16 15.146 12.236 17.764 1.00 10.00 H new ATOM 0 HG13 VAL A 16 16.479 11.468 16.869 1.00 10.00 H new ATOM 0 HG21 VAL A 16 16.259 13.334 14.401 1.00 10.00 H new ATOM 0 HG22 VAL A 16 16.422 11.567 14.261 1.00 10.00 H new ATOM 0 HG23 VAL A 16 15.053 12.399 13.485 1.00 10.00 H new ATOM 232 N ALA A 17 12.019 10.795 16.798 1.00 10.00 N ATOM 233 CA ALA A 17 11.146 10.450 17.907 1.00 10.00 C ATOM 234 C ALA A 17 10.044 9.513 17.409 1.00 10.00 C ATOM 235 O ALA A 17 9.703 9.522 16.228 1.00 10.00 O ATOM 236 CB ALA A 17 10.585 11.729 18.532 1.00 10.00 C ATOM 0 H ALA A 17 11.540 11.165 15.977 1.00 10.00 H new ATOM 0 HA ALA A 17 11.701 9.924 18.684 1.00 10.00 H new ATOM 0 HB1 ALA A 17 9.930 11.470 19.364 1.00 10.00 H new ATOM 0 HB2 ALA A 17 11.406 12.347 18.895 1.00 10.00 H new ATOM 0 HB3 ALA A 17 10.019 12.282 17.783 1.00 10.00 H new ATOM 242 N ASN A 18 9.518 8.726 18.337 1.00 10.00 N ATOM 243 CA ASN A 18 8.781 7.528 17.971 1.00 10.00 C ATOM 244 C ASN A 18 7.504 7.926 17.230 1.00 10.00 C ATOM 245 O ASN A 18 7.091 7.250 16.289 1.00 10.00 O ATOM 246 CB ASN A 18 8.379 6.729 19.212 1.00 10.00 C ATOM 247 CG ASN A 18 9.612 6.232 19.969 1.00 10.00 C ATOM 248 OD1 ASN A 18 10.068 6.833 20.927 1.00 10.00 O ATOM 249 ND2 ASN A 18 10.124 5.103 19.486 1.00 10.00 N ATOM 0 H ASN A 18 9.588 8.895 19.341 1.00 10.00 H new ATOM 0 HA ASN A 18 9.425 6.915 17.340 1.00 10.00 H new ATOM 0 HB2 ASN A 18 7.772 7.352 19.869 1.00 10.00 H new ATOM 0 HB3 ASN A 18 7.762 5.880 18.918 1.00 10.00 H new ATOM 0 HD21 ASN A 18 10.948 4.689 19.922 1.00 10.00 H new ATOM 0 HD22 ASN A 18 9.692 4.651 18.680 1.00 10.00 H new ATOM 256 N ASN A 19 6.913 9.022 17.682 1.00 10.00 N ATOM 257 CA ASN A 19 5.616 9.438 17.174 1.00 10.00 C ATOM 258 C ASN A 19 5.801 10.123 15.819 1.00 10.00 C ATOM 259 O ASN A 19 4.864 10.201 15.025 1.00 10.00 O ATOM 260 CB ASN A 19 4.947 10.435 18.121 1.00 10.00 C ATOM 261 CG ASN A 19 5.852 11.642 18.375 1.00 10.00 C ATOM 262 OD1 ASN A 19 5.898 12.589 17.607 1.00 10.00 O ATOM 263 ND2 ASN A 19 6.568 11.556 19.493 1.00 10.00 N ATOM 0 H ASN A 19 7.308 9.635 18.395 1.00 10.00 H new ATOM 0 HA ASN A 19 4.989 8.551 17.084 1.00 10.00 H new ATOM 0 HB2 ASN A 19 4.001 10.769 17.694 1.00 10.00 H new ATOM 0 HB3 ASN A 19 4.715 9.945 19.066 1.00 10.00 H new ATOM 0 HD21 ASN A 19 7.203 12.311 19.751 1.00 10.00 H new ATOM 0 HD22 ASN A 19 6.482 10.735 20.092 1.00 10.00 H new ATOM 270 N TYR A 20 7.015 10.604 15.595 1.00 10.00 N ATOM 271 CA TYR A 20 7.237 11.647 14.608 1.00 10.00 C ATOM 272 C TYR A 20 7.012 11.118 13.190 1.00 10.00 C ATOM 273 O TYR A 20 6.757 11.891 12.268 1.00 10.00 O ATOM 274 CB TYR A 20 8.701 12.065 14.758 1.00 10.00 C ATOM 275 CG TYR A 20 9.037 13.404 14.098 1.00 10.00 C ATOM 276 CD1 TYR A 20 8.867 14.580 14.799 1.00 10.00 C ATOM 277 CD2 TYR A 20 9.510 13.435 12.802 1.00 10.00 C ATOM 278 CE1 TYR A 20 9.183 15.841 14.178 1.00 10.00 C ATOM 279 CE2 TYR A 20 9.826 14.695 12.181 1.00 10.00 C ATOM 280 CZ TYR A 20 9.647 15.836 12.900 1.00 10.00 C ATOM 281 OH TYR A 20 9.945 17.026 12.313 1.00 10.00 O ATOM 0 H TYR A 20 7.856 10.290 16.080 1.00 10.00 H new ATOM 0 HA TYR A 20 6.547 12.476 14.765 1.00 10.00 H new ATOM 0 HB2 TYR A 20 8.945 12.123 15.819 1.00 10.00 H new ATOM 0 HB3 TYR A 20 9.335 11.290 14.327 1.00 10.00 H new ATOM 0 HD1 TYR A 20 8.497 14.555 15.813 1.00 10.00 H new ATOM 0 HD2 TYR A 20 9.643 12.514 12.254 1.00 10.00 H new ATOM 0 HE1 TYR A 20 9.054 16.769 14.715 1.00 10.00 H new ATOM 0 HE2 TYR A 20 10.197 14.733 11.167 1.00 10.00 H new ATOM 0 HH TYR A 20 10.267 16.869 11.401 1.00 10.00 H new ATOM 291 N CYS A 21 7.116 9.803 13.060 1.00 10.00 N ATOM 292 CA CYS A 21 6.931 9.162 11.770 1.00 10.00 C ATOM 293 C CYS A 21 5.531 9.508 11.258 1.00 10.00 C ATOM 294 O CYS A 21 5.374 9.956 10.124 1.00 10.00 O ATOM 295 CB CYS A 21 7.150 7.650 11.853 1.00 10.00 C ATOM 296 SG CYS A 21 6.677 6.722 10.348 1.00 10.00 S ATOM 0 H CYS A 21 7.326 9.165 13.827 1.00 10.00 H new ATOM 0 HA CYS A 21 7.676 9.533 11.067 1.00 10.00 H new ATOM 0 HB2 CYS A 21 8.203 7.461 12.064 1.00 10.00 H new ATOM 0 HB3 CYS A 21 6.581 7.260 12.697 1.00 10.00 H new ATOM 301 N ASP A 22 4.549 9.287 12.120 1.00 10.00 N ATOM 302 CA ASP A 22 3.175 9.148 11.670 1.00 10.00 C ATOM 303 C ASP A 22 2.728 10.450 11.002 1.00 10.00 C ATOM 304 O ASP A 22 2.176 10.431 9.903 1.00 10.00 O ATOM 305 CB ASP A 22 2.235 8.872 12.845 1.00 10.00 C ATOM 306 CG ASP A 22 0.789 8.557 12.456 1.00 10.00 C ATOM 307 OD1 ASP A 22 0.528 7.664 11.637 1.00 10.00 O ATOM 308 OD2 ASP A 22 -0.103 9.282 13.041 1.00 10.00 O ATOM 0 H ASP A 22 4.678 9.201 13.128 1.00 10.00 H new ATOM 0 HA ASP A 22 3.132 8.313 10.971 1.00 10.00 H new ATOM 0 HB2 ASP A 22 2.632 8.035 13.419 1.00 10.00 H new ATOM 0 HB3 ASP A 22 2.237 9.740 13.504 1.00 10.00 H new ATOM 314 N ASN A 23 2.982 11.551 11.695 1.00 10.00 N ATOM 315 CA ASN A 23 2.613 12.859 11.184 1.00 10.00 C ATOM 316 C ASN A 23 3.448 13.171 9.940 1.00 10.00 C ATOM 317 O ASN A 23 2.968 13.822 9.013 1.00 10.00 O ATOM 318 CB ASN A 23 2.882 13.952 12.220 1.00 10.00 C ATOM 319 CG ASN A 23 4.282 13.805 12.820 1.00 10.00 C ATOM 320 OD1 ASN A 23 4.509 13.053 13.753 1.00 10.00 O ATOM 321 ND2 ASN A 23 5.204 14.564 12.235 1.00 10.00 N ATOM 0 H ASN A 23 3.439 11.563 12.607 1.00 10.00 H new ATOM 0 HA ASN A 23 1.549 12.840 10.948 1.00 10.00 H new ATOM 0 HB2 ASN A 23 2.783 14.932 11.754 1.00 10.00 H new ATOM 0 HB3 ASN A 23 2.135 13.899 13.012 1.00 10.00 H new ATOM 0 HD21 ASN A 23 6.169 14.538 12.564 1.00 10.00 H new ATOM 0 HD22 ASN A 23 4.946 15.172 11.458 1.00 10.00 H new ATOM 328 N GLN A 24 4.682 12.691 9.960 1.00 10.00 N ATOM 329 CA GLN A 24 5.621 12.995 8.893 1.00 10.00 C ATOM 330 C GLN A 24 5.275 12.193 7.637 1.00 10.00 C ATOM 331 O GLN A 24 5.605 12.601 6.525 1.00 10.00 O ATOM 332 CB GLN A 24 7.060 12.726 9.336 1.00 10.00 C ATOM 333 CG GLN A 24 8.051 13.079 8.225 1.00 10.00 C ATOM 334 CD GLN A 24 9.453 13.310 8.793 1.00 10.00 C ATOM 335 OE1 GLN A 24 10.038 14.372 8.659 1.00 10.00 O ATOM 336 NE2 GLN A 24 9.957 12.258 9.433 1.00 10.00 N ATOM 0 H GLN A 24 5.054 12.093 10.698 1.00 10.00 H new ATOM 0 HA GLN A 24 5.541 14.056 8.656 1.00 10.00 H new ATOM 0 HB2 GLN A 24 7.285 13.311 10.228 1.00 10.00 H new ATOM 0 HB3 GLN A 24 7.171 11.676 9.607 1.00 10.00 H new ATOM 0 HG2 GLN A 24 8.081 12.274 7.490 1.00 10.00 H new ATOM 0 HG3 GLN A 24 7.714 13.975 7.703 1.00 10.00 H new ATOM 0 HE21 GLN A 24 9.413 11.398 9.509 1.00 10.00 H new ATOM 0 HE22 GLN A 24 10.887 12.311 9.848 1.00 10.00 H new ATOM 345 N CYS A 25 4.613 11.066 7.857 1.00 10.00 N ATOM 346 CA CYS A 25 4.203 10.212 6.756 1.00 10.00 C ATOM 347 C CYS A 25 2.921 10.789 6.152 1.00 10.00 C ATOM 348 O CYS A 25 2.821 10.949 4.937 1.00 10.00 O ATOM 349 CB CYS A 25 4.020 8.760 7.204 1.00 10.00 C ATOM 350 SG CYS A 25 5.555 7.925 7.747 1.00 10.00 S ATOM 0 H CYS A 25 4.351 10.725 8.782 1.00 10.00 H new ATOM 0 HA CYS A 25 4.985 10.193 5.997 1.00 10.00 H new ATOM 0 HB2 CYS A 25 3.301 8.735 8.022 1.00 10.00 H new ATOM 0 HB3 CYS A 25 3.586 8.192 6.381 1.00 10.00 H new ATOM 355 N LYS A 26 1.973 11.084 7.029 1.00 10.00 N ATOM 356 CA LYS A 26 0.640 11.462 6.591 1.00 10.00 C ATOM 357 C LYS A 26 0.667 12.903 6.075 1.00 10.00 C ATOM 358 O LYS A 26 -0.303 13.371 5.481 1.00 10.00 O ATOM 359 CB LYS A 26 -0.378 11.228 7.708 1.00 10.00 C ATOM 360 CG LYS A 26 -0.343 12.367 8.729 1.00 10.00 C ATOM 361 CD LYS A 26 -0.954 11.927 10.062 1.00 10.00 C ATOM 362 CE LYS A 26 -2.451 11.649 9.914 1.00 10.00 C ATOM 363 NZ LYS A 26 -2.706 10.192 9.878 1.00 10.00 N ATOM 0 H LYS A 26 2.101 11.069 8.041 1.00 10.00 H new ATOM 0 HA LYS A 26 0.319 10.832 5.762 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -1.378 11.147 7.282 1.00 10.00 H new ATOM 0 HB3 LYS A 26 -0.166 10.282 8.206 1.00 10.00 H new ATOM 0 HG2 LYS A 26 0.687 12.689 8.885 1.00 10.00 H new ATOM 0 HG3 LYS A 26 -0.890 13.226 8.340 1.00 10.00 H new ATOM 0 HD2 LYS A 26 -0.448 11.030 10.420 1.00 10.00 H new ATOM 0 HD3 LYS A 26 -0.797 12.702 10.812 1.00 10.00 H new ATOM 0 HE2 LYS A 26 -2.994 12.099 10.745 1.00 10.00 H new ATOM 0 HE3 LYS A 26 -2.824 12.112 9.001 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 -3.721 10.014 10.016 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 -2.409 9.810 8.957 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 -2.167 9.726 10.636 1.00 10.00 H new ATOM 376 N MET A 27 1.787 13.565 6.322 1.00 10.00 N ATOM 377 CA MET A 27 2.049 14.851 5.699 1.00 10.00 C ATOM 378 C MET A 27 1.767 14.799 4.196 1.00 10.00 C ATOM 379 O MET A 27 1.166 15.718 3.642 1.00 10.00 O ATOM 380 CB MET A 27 3.510 15.243 5.931 1.00 10.00 C ATOM 381 CG MET A 27 3.749 16.709 5.565 1.00 10.00 C ATOM 382 SD MET A 27 5.441 16.941 5.047 1.00 10.00 S ATOM 383 CE MET A 27 6.290 16.483 6.548 1.00 10.00 C ATOM 0 H MET A 27 2.524 13.235 6.945 1.00 10.00 H new ATOM 0 HA MET A 27 1.389 15.593 6.149 1.00 10.00 H new ATOM 0 HB2 MET A 27 3.773 15.078 6.976 1.00 10.00 H new ATOM 0 HB3 MET A 27 4.161 14.605 5.334 1.00 10.00 H new ATOM 0 HG2 MET A 27 3.071 17.008 4.766 1.00 10.00 H new ATOM 0 HG3 MET A 27 3.532 17.346 6.422 1.00 10.00 H new ATOM 0 HE1 MET A 27 7.335 16.787 6.482 1.00 10.00 H new ATOM 0 HE2 MET A 27 5.821 16.979 7.397 1.00 10.00 H new ATOM 0 HE3 MET A 27 6.234 15.403 6.683 1.00 10.00 H new ATOM 393 N LYS A 28 2.215 13.716 3.579 1.00 10.00 N ATOM 394 CA LYS A 28 2.385 13.692 2.136 1.00 10.00 C ATOM 395 C LYS A 28 2.399 12.241 1.652 1.00 10.00 C ATOM 396 O LYS A 28 1.600 11.860 0.798 1.00 10.00 O ATOM 397 CB LYS A 28 3.627 14.488 1.730 1.00 10.00 C ATOM 398 CG LYS A 28 3.775 14.534 0.208 1.00 10.00 C ATOM 399 CD LYS A 28 4.853 13.558 -0.268 1.00 10.00 C ATOM 400 CE LYS A 28 5.110 13.714 -1.768 1.00 10.00 C ATOM 401 NZ LYS A 28 5.828 14.979 -2.042 1.00 10.00 N ATOM 0 H LYS A 28 2.466 12.848 4.052 1.00 10.00 H new ATOM 0 HA LYS A 28 1.545 14.183 1.645 1.00 10.00 H new ATOM 0 HB2 LYS A 28 3.558 15.502 2.123 1.00 10.00 H new ATOM 0 HB3 LYS A 28 4.514 14.035 2.172 1.00 10.00 H new ATOM 0 HG2 LYS A 28 2.823 14.287 -0.261 1.00 10.00 H new ATOM 0 HG3 LYS A 28 4.032 15.546 -0.106 1.00 10.00 H new ATOM 0 HD2 LYS A 28 5.777 13.734 0.283 1.00 10.00 H new ATOM 0 HD3 LYS A 28 4.543 12.535 -0.053 1.00 10.00 H new ATOM 0 HE2 LYS A 28 5.696 12.870 -2.132 1.00 10.00 H new ATOM 0 HE3 LYS A 28 4.163 13.702 -2.308 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 6.202 14.963 -3.012 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 5.173 15.780 -1.937 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 6.614 15.084 -1.370 1.00 10.00 H new ATOM 414 N LYS A 29 3.315 11.470 2.220 1.00 10.00 N ATOM 415 CA LYS A 29 3.673 10.185 1.643 1.00 10.00 C ATOM 416 C LYS A 29 2.458 9.256 1.685 1.00 10.00 C ATOM 417 O LYS A 29 2.100 8.652 0.675 1.00 10.00 O ATOM 418 CB LYS A 29 4.910 9.612 2.339 1.00 10.00 C ATOM 419 CG LYS A 29 6.168 10.388 1.946 1.00 10.00 C ATOM 420 CD LYS A 29 6.740 9.874 0.624 1.00 10.00 C ATOM 421 CE LYS A 29 7.835 10.805 0.100 1.00 10.00 C ATOM 422 NZ LYS A 29 9.048 10.702 0.942 1.00 10.00 N ATOM 0 H LYS A 29 3.820 11.710 3.073 1.00 10.00 H new ATOM 0 HA LYS A 29 3.950 10.301 0.595 1.00 10.00 H new ATOM 0 HB2 LYS A 29 4.776 9.653 3.420 1.00 10.00 H new ATOM 0 HB3 LYS A 29 5.028 8.562 2.072 1.00 10.00 H new ATOM 0 HG2 LYS A 29 5.932 11.448 1.856 1.00 10.00 H new ATOM 0 HG3 LYS A 29 6.918 10.294 2.732 1.00 10.00 H new ATOM 0 HD2 LYS A 29 7.146 8.872 0.765 1.00 10.00 H new ATOM 0 HD3 LYS A 29 5.942 9.794 -0.114 1.00 10.00 H new ATOM 0 HE2 LYS A 29 8.078 10.547 -0.931 1.00 10.00 H new ATOM 0 HE3 LYS A 29 7.475 11.834 0.095 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 9.892 10.688 0.335 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 9.096 11.519 1.583 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 9.009 9.826 1.501 1.00 10.00 H new ATOM 435 N ALA A 30 1.859 9.170 2.863 1.00 10.00 N ATOM 436 CA ALA A 30 1.100 7.988 3.232 1.00 10.00 C ATOM 437 C ALA A 30 -0.176 8.413 3.962 1.00 10.00 C ATOM 438 O ALA A 30 -0.504 9.598 4.008 1.00 10.00 O ATOM 439 CB ALA A 30 1.976 7.063 4.080 1.00 10.00 C ATOM 0 H ALA A 30 1.884 9.900 3.575 1.00 10.00 H new ATOM 0 HA ALA A 30 0.801 7.431 2.344 1.00 10.00 H new ATOM 0 HB1 ALA A 30 1.407 6.176 4.357 1.00 10.00 H new ATOM 0 HB2 ALA A 30 2.854 6.766 3.506 1.00 10.00 H new ATOM 0 HB3 ALA A 30 2.292 7.587 4.982 1.00 10.00 H new ATOM 445 N SER A 31 -0.862 7.423 4.515 1.00 10.00 N ATOM 446 CA SER A 31 -1.997 7.691 5.381 1.00 10.00 C ATOM 447 C SER A 31 -1.534 7.788 6.836 1.00 10.00 C ATOM 448 O SER A 31 -2.089 8.560 7.617 1.00 10.00 O ATOM 449 CB SER A 31 -3.068 6.608 5.235 1.00 10.00 C ATOM 450 OG SER A 31 -2.727 5.421 5.946 1.00 10.00 O ATOM 0 H SER A 31 -0.653 6.434 4.380 1.00 10.00 H new ATOM 0 HA SER A 31 -2.438 8.642 5.083 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.021 6.989 5.602 1.00 10.00 H new ATOM 0 HB3 SER A 31 -3.204 6.372 4.180 1.00 10.00 H new ATOM 0 HG SER A 31 -1.801 5.173 5.743 1.00 10.00 H new ATOM 456 N GLY A 32 -0.523 6.994 7.156 1.00 10.00 N ATOM 457 CA GLY A 32 0.041 7.004 8.494 1.00 10.00 C ATOM 458 C GLY A 32 1.460 6.431 8.495 1.00 10.00 C ATOM 459 O GLY A 32 2.096 6.337 7.447 1.00 10.00 O ATOM 0 H GLY A 32 -0.080 6.339 6.511 1.00 10.00 H new ATOM 0 HA2 GLY A 32 0.056 8.024 8.878 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -0.591 6.421 9.163 1.00 10.00 H new ATOM 463 N GLY A 33 1.915 6.063 9.684 1.00 10.00 N ATOM 464 CA GLY A 33 3.171 5.345 9.816 1.00 10.00 C ATOM 465 C GLY A 33 3.531 5.136 11.288 1.00 10.00 C ATOM 466 O GLY A 33 2.856 5.654 12.176 1.00 10.00 O ATOM 0 H GLY A 33 1.436 6.249 10.565 1.00 10.00 H new ATOM 0 HA2 GLY A 33 3.096 4.380 9.316 1.00 10.00 H new ATOM 0 HA3 GLY A 33 3.966 5.901 9.319 1.00 10.00 H new ATOM 470 N HIS A 34 4.595 4.376 11.502 1.00 10.00 N ATOM 471 CA HIS A 34 5.194 4.281 12.822 1.00 10.00 C ATOM 472 C HIS A 34 6.717 4.216 12.691 1.00 10.00 C ATOM 473 O HIS A 34 7.238 3.765 11.672 1.00 10.00 O ATOM 474 CB HIS A 34 4.615 3.096 13.598 1.00 10.00 C ATOM 475 CG HIS A 34 5.278 2.852 14.932 1.00 10.00 C ATOM 476 ND1 HIS A 34 6.349 1.990 15.090 1.00 10.00 N ATOM 477 CD2 HIS A 34 5.012 3.367 16.167 1.00 10.00 C ATOM 478 CE1 HIS A 34 6.703 1.993 16.367 1.00 10.00 C ATOM 479 NE2 HIS A 34 5.873 2.846 17.033 1.00 10.00 N ATOM 0 H HIS A 34 5.058 3.820 10.783 1.00 10.00 H new ATOM 0 HA HIS A 34 4.951 5.173 13.400 1.00 10.00 H new ATOM 0 HB2 HIS A 34 3.550 3.266 13.759 1.00 10.00 H new ATOM 0 HB3 HIS A 34 4.706 2.197 12.989 1.00 10.00 H new ATOM 0 HD2 HIS A 34 4.233 4.078 16.401 1.00 10.00 H new ATOM 0 HE1 HIS A 34 7.508 1.420 16.804 1.00 10.00 H new ATOM 0 HE2 HIS A 34 5.908 3.050 18.032 1.00 10.00 H new ATOM 487 N CYS A 35 7.389 4.673 13.737 1.00 10.00 N ATOM 488 CA CYS A 35 8.841 4.736 13.725 1.00 10.00 C ATOM 489 C CYS A 35 9.384 3.383 14.190 1.00 10.00 C ATOM 490 O CYS A 35 9.477 3.127 15.390 1.00 10.00 O ATOM 491 CB CYS A 35 9.364 5.888 14.586 1.00 10.00 C ATOM 492 SG CYS A 35 11.151 6.237 14.396 1.00 10.00 S ATOM 0 H CYS A 35 6.955 5.003 14.599 1.00 10.00 H new ATOM 0 HA CYS A 35 9.191 4.938 12.713 1.00 10.00 H new ATOM 0 HB2 CYS A 35 8.804 6.790 14.341 1.00 10.00 H new ATOM 0 HB3 CYS A 35 9.161 5.662 15.633 1.00 10.00 H new ATOM 497 N TYR A 36 9.729 2.554 13.217 1.00 10.00 N ATOM 498 CA TYR A 36 10.192 1.208 13.509 1.00 10.00 C ATOM 499 C TYR A 36 11.702 1.089 13.298 1.00 10.00 C ATOM 500 O TYR A 36 12.227 1.535 12.279 1.00 10.00 O ATOM 501 CB TYR A 36 9.476 0.291 12.515 1.00 10.00 C ATOM 502 CG TYR A 36 9.514 -1.190 12.897 1.00 10.00 C ATOM 503 CD1 TYR A 36 10.615 -1.958 12.577 1.00 10.00 C ATOM 504 CD2 TYR A 36 8.446 -1.759 13.560 1.00 10.00 C ATOM 505 CE1 TYR A 36 10.651 -3.352 12.936 1.00 10.00 C ATOM 506 CE2 TYR A 36 8.481 -3.153 13.919 1.00 10.00 C ATOM 507 CZ TYR A 36 9.582 -3.881 13.590 1.00 10.00 C ATOM 508 OH TYR A 36 9.615 -5.197 13.929 1.00 10.00 O ATOM 0 H TYR A 36 9.697 2.788 12.225 1.00 10.00 H new ATOM 0 HA TYR A 36 9.981 0.947 14.546 1.00 10.00 H new ATOM 0 HB2 TYR A 36 8.436 0.607 12.429 1.00 10.00 H new ATOM 0 HB3 TYR A 36 9.929 0.414 11.531 1.00 10.00 H new ATOM 0 HD1 TYR A 36 11.450 -1.513 12.057 1.00 10.00 H new ATOM 0 HD2 TYR A 36 7.584 -1.159 13.810 1.00 10.00 H new ATOM 0 HE1 TYR A 36 11.507 -3.963 12.692 1.00 10.00 H new ATOM 0 HE2 TYR A 36 7.652 -3.610 14.438 1.00 10.00 H new ATOM 0 HH TYR A 36 8.785 -5.436 14.392 1.00 10.00 H new ATOM 518 N ALA A 37 12.359 0.485 14.278 1.00 10.00 N ATOM 519 CA ALA A 37 13.806 0.358 14.242 1.00 10.00 C ATOM 520 C ALA A 37 14.418 1.679 13.773 1.00 10.00 C ATOM 521 O ALA A 37 15.259 1.694 12.876 1.00 10.00 O ATOM 522 CB ALA A 37 14.194 -0.816 13.341 1.00 10.00 C ATOM 0 H ALA A 37 11.916 0.078 15.102 1.00 10.00 H new ATOM 0 HA ALA A 37 14.197 0.148 15.237 1.00 10.00 H new ATOM 0 HB1 ALA A 37 15.280 -0.911 13.314 1.00 10.00 H new ATOM 0 HB2 ALA A 37 13.759 -1.735 13.733 1.00 10.00 H new ATOM 0 HB3 ALA A 37 13.820 -0.640 12.332 1.00 10.00 H new ATOM 528 N MET A 38 13.972 2.757 14.402 1.00 10.00 N ATOM 529 CA MET A 38 14.541 4.068 14.136 1.00 10.00 C ATOM 530 C MET A 38 14.484 4.398 12.643 1.00 10.00 C ATOM 531 O MET A 38 15.437 4.942 12.088 1.00 10.00 O ATOM 532 CB MET A 38 15.995 4.098 14.611 1.00 10.00 C ATOM 533 CG MET A 38 16.280 5.362 15.425 1.00 10.00 C ATOM 534 SD MET A 38 16.068 6.809 14.401 1.00 10.00 S ATOM 535 CE MET A 38 17.664 6.860 13.603 1.00 10.00 C ATOM 0 H MET A 38 13.223 2.749 15.095 1.00 10.00 H new ATOM 0 HA MET A 38 13.957 4.814 14.676 1.00 10.00 H new ATOM 0 HB2 MET A 38 16.201 3.216 15.218 1.00 10.00 H new ATOM 0 HB3 MET A 38 16.663 4.057 13.751 1.00 10.00 H new ATOM 0 HG2 MET A 38 15.608 5.411 16.282 1.00 10.00 H new ATOM 0 HG3 MET A 38 17.296 5.330 15.818 1.00 10.00 H new ATOM 0 HE1 MET A 38 17.710 7.721 12.936 1.00 10.00 H new ATOM 0 HE2 MET A 38 18.446 6.943 14.358 1.00 10.00 H new ATOM 0 HE3 MET A 38 17.812 5.947 13.027 1.00 10.00 H new ATOM 545 N SER A 39 13.357 4.056 12.037 1.00 10.00 N ATOM 546 CA SER A 39 13.068 4.505 10.686 1.00 10.00 C ATOM 547 C SER A 39 11.559 4.466 10.433 1.00 10.00 C ATOM 548 O SER A 39 10.855 3.623 10.987 1.00 10.00 O ATOM 549 CB SER A 39 13.802 3.650 9.652 1.00 10.00 C ATOM 550 OG SER A 39 15.144 4.087 9.453 1.00 10.00 O ATOM 0 H SER A 39 12.633 3.473 12.457 1.00 10.00 H new ATOM 0 HA SER A 39 13.421 5.531 10.584 1.00 10.00 H new ATOM 0 HB2 SER A 39 13.804 2.610 9.978 1.00 10.00 H new ATOM 0 HB3 SER A 39 13.265 3.686 8.704 1.00 10.00 H new ATOM 0 HG SER A 39 15.490 4.470 10.286 1.00 10.00 H new ATOM 556 N CYS A 40 11.108 5.387 9.595 1.00 10.00 N ATOM 557 CA CYS A 40 9.686 5.668 9.486 1.00 10.00 C ATOM 558 C CYS A 40 9.060 4.625 8.557 1.00 10.00 C ATOM 559 O CYS A 40 9.150 4.743 7.336 1.00 10.00 O ATOM 560 CB CYS A 40 9.427 7.095 8.999 1.00 10.00 C ATOM 561 SG CYS A 40 7.660 7.532 8.808 1.00 10.00 S ATOM 0 H CYS A 40 11.702 5.949 8.985 1.00 10.00 H new ATOM 0 HA CYS A 40 9.223 5.601 10.470 1.00 10.00 H new ATOM 0 HB2 CYS A 40 9.885 7.792 9.700 1.00 10.00 H new ATOM 0 HB3 CYS A 40 9.927 7.233 8.040 1.00 10.00 H new ATOM 566 N TYR A 41 8.440 3.629 9.172 1.00 10.00 N ATOM 567 CA TYR A 41 7.603 2.699 8.432 1.00 10.00 C ATOM 568 C TYR A 41 6.250 3.328 8.096 1.00 10.00 C ATOM 569 O TYR A 41 5.335 3.317 8.917 1.00 10.00 O ATOM 570 CB TYR A 41 7.380 1.503 9.360 1.00 10.00 C ATOM 571 CG TYR A 41 6.565 0.371 8.731 1.00 10.00 C ATOM 572 CD1 TYR A 41 7.155 -0.477 7.815 1.00 10.00 C ATOM 573 CD2 TYR A 41 5.242 0.197 9.080 1.00 10.00 C ATOM 574 CE1 TYR A 41 6.388 -1.542 7.223 1.00 10.00 C ATOM 575 CE2 TYR A 41 4.475 -0.869 8.488 1.00 10.00 C ATOM 576 CZ TYR A 41 5.086 -1.686 7.589 1.00 10.00 C ATOM 577 OH TYR A 41 4.362 -2.692 7.030 1.00 10.00 O ATOM 0 H TYR A 41 8.500 3.445 10.174 1.00 10.00 H new ATOM 0 HA TYR A 41 8.079 2.417 7.493 1.00 10.00 H new ATOM 0 HB2 TYR A 41 8.349 1.111 9.670 1.00 10.00 H new ATOM 0 HB3 TYR A 41 6.872 1.845 10.261 1.00 10.00 H new ATOM 0 HD1 TYR A 41 8.191 -0.342 7.543 1.00 10.00 H new ATOM 0 HD2 TYR A 41 4.781 0.860 9.797 1.00 10.00 H new ATOM 0 HE1 TYR A 41 6.837 -2.212 6.504 1.00 10.00 H new ATOM 0 HE2 TYR A 41 3.438 -1.016 8.752 1.00 10.00 H new ATOM 0 HH TYR A 41 3.449 -2.675 7.386 1.00 10.00 H new ATOM 587 N CYS A 42 6.166 3.861 6.886 1.00 10.00 N ATOM 588 CA CYS A 42 5.000 4.630 6.486 1.00 10.00 C ATOM 589 C CYS A 42 3.969 3.667 5.894 1.00 10.00 C ATOM 590 O CYS A 42 4.329 2.628 5.344 1.00 10.00 O ATOM 591 CB CYS A 42 5.367 5.747 5.507 1.00 10.00 C ATOM 592 SG CYS A 42 6.416 7.071 6.210 1.00 10.00 S ATOM 0 H CYS A 42 6.887 3.775 6.169 1.00 10.00 H new ATOM 0 HA CYS A 42 4.573 5.127 7.357 1.00 10.00 H new ATOM 0 HB2 CYS A 42 5.884 5.308 4.654 1.00 10.00 H new ATOM 0 HB3 CYS A 42 4.448 6.194 5.127 1.00 10.00 H new ATOM 597 N GLU A 43 2.707 4.048 6.026 1.00 10.00 N ATOM 598 CA GLU A 43 1.617 3.108 5.822 1.00 10.00 C ATOM 599 C GLU A 43 0.528 3.739 4.951 1.00 10.00 C ATOM 600 O GLU A 43 -0.025 4.781 5.301 1.00 10.00 O ATOM 601 CB GLU A 43 1.044 2.635 7.159 1.00 10.00 C ATOM 602 CG GLU A 43 2.017 1.693 7.871 1.00 10.00 C ATOM 603 CD GLU A 43 1.466 1.260 9.230 1.00 10.00 C ATOM 604 OE1 GLU A 43 0.878 0.174 9.343 1.00 10.00 O ATOM 605 OE2 GLU A 43 1.668 2.096 10.192 1.00 10.00 O ATOM 0 H GLU A 43 2.415 4.994 6.271 1.00 10.00 H new ATOM 0 HA GLU A 43 2.009 2.234 5.303 1.00 10.00 H new ATOM 0 HB2 GLU A 43 0.836 3.496 7.794 1.00 10.00 H new ATOM 0 HB3 GLU A 43 0.095 2.125 6.992 1.00 10.00 H new ATOM 0 HG2 GLU A 43 2.197 0.815 7.251 1.00 10.00 H new ATOM 0 HG3 GLU A 43 2.977 2.191 8.006 1.00 10.00 H new ATOM 613 N GLY A 44 0.254 3.083 3.834 1.00 10.00 N ATOM 614 CA GLY A 44 -0.814 3.520 2.952 1.00 10.00 C ATOM 615 C GLY A 44 -0.297 4.521 1.918 1.00 10.00 C ATOM 616 O GLY A 44 -0.801 5.639 1.824 1.00 10.00 O ATOM 0 H GLY A 44 0.754 2.251 3.519 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -1.246 2.658 2.444 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -1.611 3.977 3.539 1.00 10.00 H new ATOM 620 N LEU A 45 0.704 4.085 1.167 1.00 10.00 N ATOM 621 CA LEU A 45 1.255 4.906 0.103 1.00 10.00 C ATOM 622 C LEU A 45 0.537 4.585 -1.209 1.00 10.00 C ATOM 623 O LEU A 45 -0.090 3.534 -1.336 1.00 10.00 O ATOM 624 CB LEU A 45 2.774 4.739 0.030 1.00 10.00 C ATOM 625 CG LEU A 45 3.566 5.268 1.227 1.00 10.00 C ATOM 626 CD1 LEU A 45 3.759 4.176 2.282 1.00 10.00 C ATOM 627 CD2 LEU A 45 4.898 5.873 0.779 1.00 10.00 C ATOM 0 H LEU A 45 1.148 3.173 1.275 1.00 10.00 H new ATOM 0 HA LEU A 45 1.083 5.962 0.310 1.00 10.00 H new ATOM 0 HB2 LEU A 45 2.998 3.679 -0.088 1.00 10.00 H new ATOM 0 HB3 LEU A 45 3.132 5.242 -0.868 1.00 10.00 H new ATOM 0 HG LEU A 45 2.989 6.068 1.692 1.00 10.00 H new ATOM 0 HD11 LEU A 45 4.325 4.578 3.122 1.00 10.00 H new ATOM 0 HD12 LEU A 45 2.786 3.832 2.632 1.00 10.00 H new ATOM 0 HD13 LEU A 45 4.304 3.340 1.844 1.00 10.00 H new ATOM 0 HD21 LEU A 45 5.441 6.242 1.649 1.00 10.00 H new ATOM 0 HD22 LEU A 45 5.493 5.111 0.276 1.00 10.00 H new ATOM 0 HD23 LEU A 45 4.710 6.698 0.092 1.00 10.00 H new ATOM 639 N PRO A 46 0.656 5.533 -2.176 1.00 10.00 N ATOM 640 CA PRO A 46 0.434 5.207 -3.575 1.00 10.00 C ATOM 641 C PRO A 46 1.616 4.424 -4.149 1.00 10.00 C ATOM 642 O PRO A 46 2.744 4.562 -3.680 1.00 10.00 O ATOM 643 CB PRO A 46 0.219 6.546 -4.262 1.00 10.00 C ATOM 644 CG PRO A 46 0.786 7.594 -3.318 1.00 10.00 C ATOM 645 CD PRO A 46 1.003 6.935 -1.966 1.00 10.00 C ATOM 0 HA PRO A 46 -0.427 4.556 -3.724 1.00 10.00 H new ATOM 0 HB2 PRO A 46 0.724 6.575 -5.227 1.00 10.00 H new ATOM 0 HB3 PRO A 46 -0.840 6.723 -4.451 1.00 10.00 H new ATOM 0 HG2 PRO A 46 1.725 7.988 -3.705 1.00 10.00 H new ATOM 0 HG3 PRO A 46 0.100 8.436 -3.226 1.00 10.00 H new ATOM 0 HD2 PRO A 46 2.036 7.042 -1.635 1.00 10.00 H new ATOM 0 HD3 PRO A 46 0.374 7.388 -1.199 1.00 10.00 H new ATOM 653 N GLU A 47 1.316 3.618 -5.157 1.00 10.00 N ATOM 654 CA GLU A 47 2.214 2.545 -5.550 1.00 10.00 C ATOM 655 C GLU A 47 3.441 3.115 -6.264 1.00 10.00 C ATOM 656 O GLU A 47 4.448 2.426 -6.422 1.00 10.00 O ATOM 657 CB GLU A 47 1.494 1.522 -6.431 1.00 10.00 C ATOM 658 CG GLU A 47 1.274 2.070 -7.842 1.00 10.00 C ATOM 659 CD GLU A 47 0.317 1.178 -8.634 1.00 10.00 C ATOM 660 OE1 GLU A 47 0.764 0.261 -9.339 1.00 10.00 O ATOM 661 OE2 GLU A 47 -0.934 1.464 -8.498 1.00 10.00 O ATOM 0 H GLU A 47 0.464 3.686 -5.713 1.00 10.00 H new ATOM 0 HA GLU A 47 2.548 2.029 -4.650 1.00 10.00 H new ATOM 0 HB2 GLU A 47 2.080 0.604 -6.481 1.00 10.00 H new ATOM 0 HB3 GLU A 47 0.534 1.264 -5.984 1.00 10.00 H new ATOM 0 HG2 GLU A 47 0.871 3.081 -7.784 1.00 10.00 H new ATOM 0 HG3 GLU A 47 2.229 2.137 -8.363 1.00 10.00 H new ATOM 669 N ASN A 48 3.317 4.368 -6.678 1.00 10.00 N ATOM 670 CA ASN A 48 4.374 5.014 -7.437 1.00 10.00 C ATOM 671 C ASN A 48 5.559 5.301 -6.512 1.00 10.00 C ATOM 672 O ASN A 48 6.684 5.480 -6.976 1.00 10.00 O ATOM 673 CB ASN A 48 3.898 6.345 -8.022 1.00 10.00 C ATOM 674 CG ASN A 48 3.725 7.396 -6.924 1.00 10.00 C ATOM 675 OD1 ASN A 48 2.723 7.445 -6.228 1.00 10.00 O ATOM 676 ND2 ASN A 48 4.753 8.231 -6.808 1.00 10.00 N ATOM 0 H ASN A 48 2.500 4.953 -6.502 1.00 10.00 H new ATOM 0 HA ASN A 48 4.662 4.346 -8.249 1.00 10.00 H new ATOM 0 HB2 ASN A 48 4.617 6.700 -8.760 1.00 10.00 H new ATOM 0 HB3 ASN A 48 2.952 6.200 -8.543 1.00 10.00 H new ATOM 0 HD21 ASN A 48 4.734 8.969 -6.104 1.00 10.00 H new ATOM 0 HD22 ASN A 48 5.561 8.134 -7.423 1.00 10.00 H new ATOM 683 N ALA A 49 5.265 5.336 -5.221 1.00 10.00 N ATOM 684 CA ALA A 49 6.279 5.655 -4.231 1.00 10.00 C ATOM 685 C ALA A 49 7.115 4.407 -3.943 1.00 10.00 C ATOM 686 O ALA A 49 6.573 3.357 -3.599 1.00 10.00 O ATOM 687 CB ALA A 49 5.609 6.210 -2.973 1.00 10.00 C ATOM 0 H ALA A 49 4.339 5.149 -4.837 1.00 10.00 H new ATOM 0 HA ALA A 49 6.953 6.424 -4.608 1.00 10.00 H new ATOM 0 HB1 ALA A 49 6.370 6.449 -2.231 1.00 10.00 H new ATOM 0 HB2 ALA A 49 5.052 7.112 -3.225 1.00 10.00 H new ATOM 0 HB3 ALA A 49 4.926 5.464 -2.565 1.00 10.00 H new ATOM 693 N LYS A 50 8.423 4.561 -4.094 1.00 10.00 N ATOM 694 CA LYS A 50 9.341 3.465 -3.835 1.00 10.00 C ATOM 695 C LYS A 50 9.544 3.320 -2.326 1.00 10.00 C ATOM 696 O LYS A 50 9.996 4.254 -1.665 1.00 10.00 O ATOM 697 CB LYS A 50 10.642 3.660 -4.616 1.00 10.00 C ATOM 698 CG LYS A 50 11.118 2.341 -5.227 1.00 10.00 C ATOM 699 CD LYS A 50 11.703 1.419 -4.155 1.00 10.00 C ATOM 700 CE LYS A 50 13.166 1.767 -3.872 1.00 10.00 C ATOM 701 NZ LYS A 50 13.610 1.144 -2.605 1.00 10.00 N ATOM 0 H LYS A 50 8.868 5.429 -4.393 1.00 10.00 H new ATOM 0 HA LYS A 50 8.921 2.524 -4.191 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.490 4.396 -5.405 1.00 10.00 H new ATOM 0 HB3 LYS A 50 11.412 4.057 -3.954 1.00 10.00 H new ATOM 0 HG2 LYS A 50 10.284 1.844 -5.723 1.00 10.00 H new ATOM 0 HG3 LYS A 50 11.870 2.540 -5.990 1.00 10.00 H new ATOM 0 HD2 LYS A 50 11.121 1.506 -3.238 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.629 0.382 -4.482 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.794 1.422 -4.694 1.00 10.00 H new ATOM 0 HE3 LYS A 50 13.284 2.849 -3.813 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 14.605 1.390 -2.427 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 13.022 1.493 -1.822 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 13.516 0.111 -2.675 1.00 10.00 H new ATOM 714 N VAL A 51 9.201 2.143 -1.825 1.00 10.00 N ATOM 715 CA VAL A 51 9.443 1.825 -0.428 1.00 10.00 C ATOM 716 C VAL A 51 10.263 0.536 -0.338 1.00 10.00 C ATOM 717 O VAL A 51 10.120 -0.355 -1.174 1.00 10.00 O ATOM 718 CB VAL A 51 8.116 1.743 0.328 1.00 10.00 C ATOM 719 CG1 VAL A 51 7.198 2.907 -0.049 1.00 10.00 C ATOM 720 CG2 VAL A 51 7.427 0.399 0.083 1.00 10.00 C ATOM 0 H VAL A 51 8.757 1.398 -2.361 1.00 10.00 H new ATOM 0 HA VAL A 51 10.024 2.615 0.048 1.00 10.00 H new ATOM 0 HB VAL A 51 8.332 1.818 1.394 1.00 10.00 H new ATOM 0 HG11 VAL A 51 6.261 2.825 0.502 1.00 10.00 H new ATOM 0 HG12 VAL A 51 7.685 3.850 0.201 1.00 10.00 H new ATOM 0 HG13 VAL A 51 6.993 2.877 -1.119 1.00 10.00 H new ATOM 0 HG21 VAL A 51 6.486 0.367 0.632 1.00 10.00 H new ATOM 0 HG22 VAL A 51 7.230 0.280 -0.982 1.00 10.00 H new ATOM 0 HG23 VAL A 51 8.074 -0.409 0.425 1.00 10.00 H new ATOM 730 N SER A 52 11.104 0.477 0.684 1.00 10.00 N ATOM 731 CA SER A 52 11.700 -0.784 1.091 1.00 10.00 C ATOM 732 C SER A 52 10.763 -1.520 2.051 1.00 10.00 C ATOM 733 O SER A 52 10.077 -0.894 2.857 1.00 10.00 O ATOM 734 CB SER A 52 13.064 -0.562 1.747 1.00 10.00 C ATOM 735 OG SER A 52 13.517 -1.720 2.443 1.00 10.00 O ATOM 0 H SER A 52 11.387 1.282 1.242 1.00 10.00 H new ATOM 0 HA SER A 52 11.850 -1.394 0.201 1.00 10.00 H new ATOM 0 HB2 SER A 52 13.793 -0.289 0.984 1.00 10.00 H new ATOM 0 HB3 SER A 52 13.000 0.276 2.441 1.00 10.00 H new ATOM 0 HG SER A 52 13.940 -2.337 1.810 1.00 10.00 H new ATOM 741 N ASP A 53 10.765 -2.840 1.934 1.00 10.00 N ATOM 742 CA ASP A 53 10.165 -3.683 2.953 1.00 10.00 C ATOM 743 C ASP A 53 11.251 -4.546 3.599 1.00 10.00 C ATOM 744 O ASP A 53 10.973 -5.643 4.080 1.00 10.00 O ATOM 745 CB ASP A 53 9.116 -4.618 2.348 1.00 10.00 C ATOM 746 CG ASP A 53 9.644 -5.575 1.278 1.00 10.00 C ATOM 747 OD1 ASP A 53 9.150 -6.703 1.129 1.00 10.00 O ATOM 748 OD2 ASP A 53 10.618 -5.116 0.568 1.00 10.00 O ATOM 0 H ASP A 53 11.173 -3.346 1.148 1.00 10.00 H new ATOM 0 HA ASP A 53 9.689 -3.035 3.689 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.668 -5.205 3.150 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.320 -4.014 1.913 1.00 10.00 H new ATOM 754 N SER A 54 12.466 -4.017 3.589 1.00 10.00 N ATOM 755 CA SER A 54 13.628 -4.804 3.966 1.00 10.00 C ATOM 756 C SER A 54 14.420 -4.079 5.056 1.00 10.00 C ATOM 757 O SER A 54 15.650 -4.062 5.027 1.00 10.00 O ATOM 758 CB SER A 54 14.522 -5.081 2.756 1.00 10.00 C ATOM 759 OG SER A 54 14.786 -3.899 2.005 1.00 10.00 O ATOM 0 H SER A 54 12.671 -3.053 3.326 1.00 10.00 H new ATOM 0 HA SER A 54 13.281 -5.762 4.354 1.00 10.00 H new ATOM 0 HB2 SER A 54 15.464 -5.514 3.093 1.00 10.00 H new ATOM 0 HB3 SER A 54 14.043 -5.820 2.113 1.00 10.00 H new ATOM 0 HG SER A 54 15.223 -4.138 1.161 1.00 10.00 H new ATOM 765 N ALA A 55 13.683 -3.497 5.991 1.00 10.00 N ATOM 766 CA ALA A 55 14.260 -3.115 7.269 1.00 10.00 C ATOM 767 C ALA A 55 15.423 -2.149 7.030 1.00 10.00 C ATOM 768 O ALA A 55 16.515 -2.343 7.561 1.00 10.00 O ATOM 769 CB ALA A 55 14.692 -4.370 8.030 1.00 10.00 C ATOM 0 H ALA A 55 12.691 -3.281 5.889 1.00 10.00 H new ATOM 0 HA ALA A 55 13.523 -2.599 7.884 1.00 10.00 H new ATOM 0 HB1 ALA A 55 15.125 -4.083 8.988 1.00 10.00 H new ATOM 0 HB2 ALA A 55 13.825 -5.009 8.200 1.00 10.00 H new ATOM 0 HB3 ALA A 55 15.434 -4.913 7.445 1.00 10.00 H new ATOM 775 N THR A 56 15.148 -1.129 6.230 1.00 10.00 N ATOM 776 CA THR A 56 16.086 -0.032 6.067 1.00 10.00 C ATOM 777 C THR A 56 17.453 -0.560 5.626 1.00 10.00 C ATOM 778 O THR A 56 18.411 -0.533 6.396 1.00 10.00 O ATOM 779 CB THR A 56 16.133 0.750 7.381 1.00 10.00 C ATOM 780 OG1 THR A 56 14.802 1.231 7.546 1.00 10.00 O ATOM 781 CG2 THR A 56 16.978 2.021 7.277 1.00 10.00 C ATOM 0 H THR A 56 14.289 -1.040 5.688 1.00 10.00 H new ATOM 0 HA THR A 56 15.765 0.648 5.278 1.00 10.00 H new ATOM 0 HB THR A 56 16.534 0.112 8.169 1.00 10.00 H new ATOM 0 HG1 THR A 56 14.543 1.159 8.488 1.00 10.00 H new ATOM 0 HG21 THR A 56 16.978 2.538 8.237 1.00 10.00 H new ATOM 0 HG22 THR A 56 18.001 1.757 7.007 1.00 10.00 H new ATOM 0 HG23 THR A 56 16.559 2.675 6.513 1.00 10.00 H new ATOM 789 N ASN A 57 17.498 -1.029 4.387 1.00 10.00 N ATOM 790 CA ASN A 57 18.762 -1.398 3.773 1.00 10.00 C ATOM 791 C ASN A 57 19.422 -0.149 3.185 1.00 10.00 C ATOM 792 O ASN A 57 20.627 -0.137 2.937 1.00 10.00 O ATOM 793 CB ASN A 57 18.551 -2.400 2.636 1.00 10.00 C ATOM 794 CG ASN A 57 17.822 -1.748 1.459 1.00 10.00 C ATOM 795 OD1 ASN A 57 18.420 -1.150 0.580 1.00 10.00 O ATOM 796 ND2 ASN A 57 16.501 -1.896 1.492 1.00 10.00 N ATOM 0 H ASN A 57 16.680 -1.162 3.792 1.00 10.00 H new ATOM 0 HA ASN A 57 19.390 -1.850 4.541 1.00 10.00 H new ATOM 0 HB2 ASN A 57 19.515 -2.786 2.303 1.00 10.00 H new ATOM 0 HB3 ASN A 57 17.975 -3.251 2.999 1.00 10.00 H new ATOM 0 HD21 ASN A 57 15.924 -1.497 0.751 1.00 10.00 H new ATOM 0 HD22 ASN A 57 16.064 -2.409 2.258 1.00 10.00 H new ATOM 803 N ILE A 58 18.604 0.873 2.980 1.00 10.00 N ATOM 804 CA ILE A 58 19.105 2.147 2.493 1.00 10.00 C ATOM 805 C ILE A 58 19.764 2.906 3.647 1.00 10.00 C ATOM 806 O ILE A 58 19.215 2.969 4.746 1.00 10.00 O ATOM 807 CB ILE A 58 17.990 2.931 1.798 1.00 10.00 C ATOM 808 CG1 ILE A 58 17.455 2.167 0.586 1.00 10.00 C ATOM 809 CG2 ILE A 58 18.459 4.339 1.427 1.00 10.00 C ATOM 810 CD1 ILE A 58 16.008 1.725 0.810 1.00 10.00 C ATOM 0 H ILE A 58 17.597 0.845 3.142 1.00 10.00 H new ATOM 0 HA ILE A 58 19.872 1.990 1.735 1.00 10.00 H new ATOM 0 HB ILE A 58 17.163 3.042 2.499 1.00 10.00 H new ATOM 0 HG12 ILE A 58 17.513 2.798 -0.301 1.00 10.00 H new ATOM 0 HG13 ILE A 58 18.080 1.294 0.397 1.00 10.00 H new ATOM 0 HG21 ILE A 58 17.648 4.875 0.934 1.00 10.00 H new ATOM 0 HG22 ILE A 58 18.752 4.875 2.330 1.00 10.00 H new ATOM 0 HG23 ILE A 58 19.312 4.272 0.752 1.00 10.00 H new ATOM 0 HD11 ILE A 58 15.653 1.184 -0.067 1.00 10.00 H new ATOM 0 HD12 ILE A 58 15.957 1.074 1.683 1.00 10.00 H new ATOM 0 HD13 ILE A 58 15.381 2.601 0.974 1.00 10.00 H new ATOM 822 N CYS A 59 20.931 3.463 3.357 1.00 10.00 N ATOM 823 CA CYS A 59 21.868 3.825 4.407 1.00 10.00 C ATOM 824 C CYS A 59 21.944 2.667 5.403 1.00 10.00 C ATOM 825 O CYS A 59 21.870 2.879 6.613 1.00 10.00 O ATOM 826 CB CYS A 59 21.476 5.138 5.086 1.00 10.00 C ATOM 827 SG CYS A 59 21.915 6.648 4.150 1.00 10.00 S ATOM 0 H CYS A 59 21.249 3.672 2.411 1.00 10.00 H new ATOM 0 HA CYS A 59 22.854 3.996 3.975 1.00 10.00 H new ATOM 0 HB2 CYS A 59 20.400 5.134 5.258 1.00 10.00 H new ATOM 0 HB3 CYS A 59 21.955 5.182 6.064 1.00 10.00 H new ATOM 832 N GLY A 60 22.092 1.468 4.859 1.00 10.00 N ATOM 833 CA GLY A 60 22.357 0.300 5.681 1.00 10.00 C ATOM 834 C GLY A 60 21.220 0.060 6.677 1.00 10.00 C ATOM 835 O GLY A 60 21.399 -0.642 7.671 1.00 10.00 O ATOM 0 H GLY A 60 22.033 1.280 3.858 1.00 10.00 H new ATOM 0 HA2 GLY A 60 22.479 -0.577 5.045 1.00 10.00 H new ATOM 0 HA3 GLY A 60 23.295 0.435 6.220 1.00 10.00 H new TER 839 GLY A 60