USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 262 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 44 SER OG : rot 150:sc= 0.697 USER MOD Set 1.3: A 54 TYR OH : rot 169:sc= 0.791 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 18 -0.351 0.231 0.751 1.00 0.00 N ATOM 2 CA PRO A 18 1.013 0.156 0.242 1.00 0.00 C ATOM 3 C PRO A 18 1.630 1.543 0.114 1.00 0.00 C ATOM 4 O PRO A 18 1.204 2.348 -0.714 1.00 0.00 O ATOM 5 CB PRO A 18 0.867 -0.539 -1.115 1.00 0.00 C ATOM 6 CG PRO A 18 -0.512 -0.194 -1.563 1.00 0.00 C ATOM 7 CD PRO A 18 -1.335 -0.130 -0.304 1.00 0.00 C ATOM 0 HA PRO A 18 1.684 -0.388 0.907 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.615 -0.186 -1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.997 -1.617 -1.025 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.527 0.759 -2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.902 -0.945 -2.250 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.127 0.614 -0.382 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.815 -1.085 -0.092 1.00 0.00 H new ATOM 17 N THR A 19 2.636 1.816 0.938 1.00 0.00 N ATOM 18 CA THR A 19 3.296 3.116 0.936 1.00 0.00 C ATOM 19 C THR A 19 4.806 2.966 0.794 1.00 0.00 C ATOM 20 O THR A 19 5.429 2.170 1.496 1.00 0.00 O ATOM 21 CB THR A 19 2.988 3.908 2.221 1.00 0.00 C ATOM 22 OG1 THR A 19 1.572 4.101 2.338 1.00 0.00 O ATOM 23 CG2 THR A 19 3.679 5.261 2.191 1.00 0.00 C ATOM 0 H THR A 19 3.012 1.154 1.616 1.00 0.00 H new ATOM 0 HA THR A 19 2.906 3.665 0.079 1.00 0.00 H new ATOM 0 HB THR A 19 3.357 3.342 3.076 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.377 4.603 3.157 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.450 5.807 3.106 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.757 5.117 2.114 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.326 5.831 1.331 1.00 0.00 H new ATOM 31 N ARG A 20 5.387 3.738 -0.119 1.00 0.00 N ATOM 32 CA ARG A 20 6.828 3.708 -0.340 1.00 0.00 C ATOM 33 C ARG A 20 7.458 5.064 -0.050 1.00 0.00 C ATOM 34 O ARG A 20 7.004 6.091 -0.557 1.00 0.00 O ATOM 35 CB ARG A 20 7.184 3.215 -1.736 1.00 0.00 C ATOM 36 CG ARG A 20 8.671 3.206 -2.050 1.00 0.00 C ATOM 37 CD ARG A 20 9.008 2.693 -3.404 1.00 0.00 C ATOM 38 NE ARG A 20 10.426 2.722 -3.723 1.00 0.00 N ATOM 39 CZ ARG A 20 10.961 2.262 -4.870 1.00 0.00 C ATOM 40 NH1 ARG A 20 10.209 1.703 -5.792 1.00 0.00 N ATOM 41 NH2 ARG A 20 12.268 2.364 -5.035 1.00 0.00 N ATOM 0 H ARG A 20 4.882 4.392 -0.717 1.00 0.00 H new ATOM 0 HA ARG A 20 7.246 2.989 0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.795 2.204 -1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.676 3.843 -2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.057 4.221 -1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.184 2.597 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.650 1.667 -3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.469 3.282 -4.146 1.00 0.00 H new ATOM 0 HE ARG A 20 11.060 3.119 -3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.204 1.612 -5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.631 1.360 -6.655 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.843 2.782 -4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.702 2.024 -5.893 1.00 0.00 H new ATOM 55 N THR A 21 8.505 5.062 0.767 1.00 0.00 N ATOM 56 CA THR A 21 9.188 6.295 1.141 1.00 0.00 C ATOM 57 C THR A 21 10.392 6.552 0.245 1.00 0.00 C ATOM 58 O THR A 21 11.352 5.781 0.242 1.00 0.00 O ATOM 59 CB THR A 21 9.651 6.260 2.609 1.00 0.00 C ATOM 60 OG1 THR A 21 8.513 6.105 3.468 1.00 0.00 O ATOM 61 CG2 THR A 21 10.382 7.545 2.968 1.00 0.00 C ATOM 0 H THR A 21 8.900 4.219 1.184 1.00 0.00 H new ATOM 0 HA THR A 21 8.468 7.103 1.016 1.00 0.00 H new ATOM 0 HB THR A 21 10.331 5.418 2.740 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.809 6.081 4.402 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.702 7.503 4.009 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.254 7.659 2.325 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.714 8.395 2.828 1.00 0.00 H new ATOM 69 N VAL A 22 10.336 7.640 -0.515 1.00 0.00 N ATOM 70 CA VAL A 22 11.450 8.037 -1.368 1.00 0.00 C ATOM 71 C VAL A 22 11.882 9.469 -1.079 1.00 0.00 C ATOM 72 O VAL A 22 11.073 10.394 -1.128 1.00 0.00 O ATOM 73 CB VAL A 22 11.091 7.911 -2.862 1.00 0.00 C ATOM 74 CG1 VAL A 22 12.241 8.401 -3.729 1.00 0.00 C ATOM 75 CG2 VAL A 22 10.740 6.472 -3.206 1.00 0.00 C ATOM 0 H VAL A 22 9.530 8.264 -0.558 1.00 0.00 H new ATOM 0 HA VAL A 22 12.274 7.360 -1.143 1.00 0.00 H new ATOM 0 HB VAL A 22 10.220 8.535 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.971 8.305 -4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.448 9.447 -3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.130 7.803 -3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.489 6.402 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.593 5.828 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.886 6.153 -2.609 1.00 0.00 H new ATOM 85 N ALA A 23 13.164 9.644 -0.777 1.00 0.00 N ATOM 86 CA ALA A 23 13.721 10.971 -0.543 1.00 0.00 C ATOM 87 C ALA A 23 14.171 11.618 -1.846 1.00 0.00 C ATOM 88 O ALA A 23 14.734 10.955 -2.717 1.00 0.00 O ATOM 89 CB ALA A 23 14.880 10.893 0.442 1.00 0.00 C ATOM 0 H ALA A 23 13.837 8.883 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 23 12.937 11.595 -0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.285 11.891 0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.526 10.484 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.659 10.247 0.037 1.00 0.00 H new ATOM 95 N ILE A 24 13.920 12.915 -1.975 1.00 0.00 N ATOM 96 CA ILE A 24 14.298 13.655 -3.173 1.00 0.00 C ATOM 97 C ILE A 24 14.995 14.962 -2.819 1.00 0.00 C ATOM 98 O ILE A 24 15.030 15.361 -1.654 1.00 0.00 O ATOM 99 CB ILE A 24 13.075 13.960 -4.058 1.00 0.00 C ATOM 100 CG1 ILE A 24 12.068 14.827 -3.295 1.00 0.00 C ATOM 101 CG2 ILE A 24 12.422 12.669 -4.528 1.00 0.00 C ATOM 102 CD1 ILE A 24 10.930 15.335 -4.150 1.00 0.00 C ATOM 0 H ILE A 24 13.455 13.478 -1.263 1.00 0.00 H new ATOM 0 HA ILE A 24 14.988 13.020 -3.728 1.00 0.00 H new ATOM 0 HB ILE A 24 13.411 14.513 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.658 14.248 -2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.592 15.678 -2.860 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.560 12.904 -5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.140 12.087 -5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.097 12.090 -3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.259 15.940 -3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.329 15.942 -4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.380 14.490 -4.564 1.00 0.00 H new ATOM 114 N SER A 25 15.550 15.624 -3.828 1.00 0.00 N ATOM 115 CA SER A 25 16.270 16.874 -3.620 1.00 0.00 C ATOM 116 C SER A 25 15.383 18.077 -3.920 1.00 0.00 C ATOM 117 O SER A 25 15.576 19.157 -3.362 1.00 0.00 O ATOM 118 CB SER A 25 17.516 16.909 -4.483 1.00 0.00 C ATOM 119 OG SER A 25 17.209 16.897 -5.851 1.00 0.00 O ATOM 0 H SER A 25 15.515 15.315 -4.799 1.00 0.00 H new ATOM 0 HA SER A 25 16.563 16.926 -2.571 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.094 17.803 -4.249 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.146 16.052 -4.245 1.00 0.00 H new ATOM 0 HG SER A 25 18.038 16.922 -6.373 1.00 0.00 H new ATOM 174 N LEU A 30 11.121 16.482 -10.371 1.00 0.00 N ATOM 175 CA LEU A 30 10.205 15.361 -10.534 1.00 0.00 C ATOM 176 C LEU A 30 9.094 15.697 -11.521 1.00 0.00 C ATOM 177 O LEU A 30 8.781 16.866 -11.744 1.00 0.00 O ATOM 178 CB LEU A 30 9.611 14.961 -9.178 1.00 0.00 C ATOM 179 CG LEU A 30 10.360 13.844 -8.440 1.00 0.00 C ATOM 180 CD1 LEU A 30 11.775 14.297 -8.108 1.00 0.00 C ATOM 181 CD2 LEU A 30 9.602 13.471 -7.174 1.00 0.00 C ATOM 0 HA LEU A 30 10.768 14.519 -10.936 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.583 15.842 -8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.579 14.645 -9.331 1.00 0.00 H new ATOM 0 HG LEU A 30 10.424 12.965 -9.081 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.299 13.498 -7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.306 14.536 -9.029 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.734 15.182 -7.472 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.136 12.677 -6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.524 14.344 -6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.603 13.124 -7.437 1.00 0.00 H new ATOM 193 N PRO A 31 8.499 14.664 -12.109 1.00 0.00 N ATOM 194 CA PRO A 31 7.379 14.844 -13.026 1.00 0.00 C ATOM 195 C PRO A 31 6.279 15.684 -12.391 1.00 0.00 C ATOM 196 O PRO A 31 6.035 15.598 -11.187 1.00 0.00 O ATOM 197 CB PRO A 31 6.913 13.417 -13.331 1.00 0.00 C ATOM 198 CG PRO A 31 8.124 12.576 -13.115 1.00 0.00 C ATOM 199 CD PRO A 31 8.859 13.221 -11.971 1.00 0.00 C ATOM 0 HA PRO A 31 7.656 15.383 -13.932 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.098 13.116 -12.673 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.546 13.329 -14.354 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.851 11.548 -12.877 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.744 12.542 -14.011 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.543 12.817 -11.009 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.935 13.065 -12.044 1.00 0.00 H new ATOM 207 N HIS A 32 5.617 16.497 -13.207 1.00 0.00 N ATOM 208 CA HIS A 32 4.684 17.497 -12.701 1.00 0.00 C ATOM 209 C HIS A 32 3.253 16.972 -12.717 1.00 0.00 C ATOM 210 O HIS A 32 2.321 17.669 -12.315 1.00 0.00 O ATOM 211 CB HIS A 32 4.777 18.788 -13.521 1.00 0.00 C ATOM 212 CG HIS A 32 6.110 19.461 -13.433 1.00 0.00 C ATOM 213 ND1 HIS A 32 6.649 19.889 -12.237 1.00 0.00 N ATOM 214 CD2 HIS A 32 7.012 19.784 -14.389 1.00 0.00 C ATOM 215 CE1 HIS A 32 7.827 20.444 -12.463 1.00 0.00 C ATOM 216 NE2 HIS A 32 8.069 20.393 -13.759 1.00 0.00 N ATOM 0 H HIS A 32 5.709 16.483 -14.223 1.00 0.00 H new ATOM 0 HA HIS A 32 4.959 17.714 -11.669 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.563 18.561 -14.565 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.007 19.480 -13.181 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.918 19.598 -15.449 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.480 20.867 -11.714 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.907 20.749 -14.219 1.00 0.00 H new ATOM 224 N ASP A 33 3.085 15.739 -13.183 1.00 0.00 N ATOM 225 CA ASP A 33 1.800 15.055 -13.096 1.00 0.00 C ATOM 226 C ASP A 33 1.630 14.371 -11.746 1.00 0.00 C ATOM 227 O ASP A 33 0.635 13.685 -11.508 1.00 0.00 O ATOM 228 CB ASP A 33 1.660 14.033 -14.225 1.00 0.00 C ATOM 229 CG ASP A 33 2.676 12.899 -14.178 1.00 0.00 C ATOM 230 OD1 ASP A 33 3.525 12.924 -13.319 1.00 0.00 O ATOM 231 OD2 ASP A 33 2.503 11.943 -14.894 1.00 0.00 O ATOM 0 H ASP A 33 3.824 15.192 -13.625 1.00 0.00 H new ATOM 0 HA ASP A 33 1.016 15.805 -13.198 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.657 13.607 -14.191 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.755 14.550 -15.180 1.00 0.00 H new ATOM 236 N TYR A 34 2.605 14.562 -10.864 1.00 0.00 N ATOM 237 CA TYR A 34 2.484 14.122 -9.480 1.00 0.00 C ATOM 238 C TYR A 34 1.523 15.011 -8.701 1.00 0.00 C ATOM 239 O TYR A 34 1.201 16.119 -9.130 1.00 0.00 O ATOM 240 CB TYR A 34 3.854 14.109 -8.799 1.00 0.00 C ATOM 241 CG TYR A 34 4.782 13.028 -9.309 1.00 0.00 C ATOM 242 CD1 TYR A 34 4.425 12.235 -10.391 1.00 0.00 C ATOM 243 CD2 TYR A 34 6.011 12.805 -8.708 1.00 0.00 C ATOM 244 CE1 TYR A 34 5.269 11.246 -10.860 1.00 0.00 C ATOM 245 CE2 TYR A 34 6.862 11.819 -9.169 1.00 0.00 C ATOM 246 CZ TYR A 34 6.487 11.041 -10.245 1.00 0.00 C ATOM 247 OH TYR A 34 7.331 10.059 -10.709 1.00 0.00 O ATOM 0 H TYR A 34 3.490 15.020 -11.084 1.00 0.00 H new ATOM 0 HA TYR A 34 2.082 13.109 -9.488 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.329 15.079 -8.942 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.714 13.978 -7.726 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.472 12.393 -10.874 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.308 13.412 -7.866 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.977 10.637 -11.703 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.816 11.658 -8.689 1.00 0.00 H new ATOM 0 HH TYR A 34 8.147 10.046 -10.167 1.00 0.00 H new ATOM 257 N CYS A 35 1.066 14.519 -7.555 1.00 0.00 N ATOM 258 CA CYS A 35 0.078 15.232 -6.754 1.00 0.00 C ATOM 259 C CYS A 35 0.659 15.659 -5.413 1.00 0.00 C ATOM 260 O CYS A 35 1.496 14.964 -4.837 1.00 0.00 O ATOM 261 CB CYS A 35 -1.017 14.183 -6.557 1.00 0.00 C ATOM 262 SG CYS A 35 -1.812 13.632 -8.085 1.00 0.00 S ATOM 0 H CYS A 35 1.365 13.628 -7.159 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.274 16.149 -7.226 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.587 13.317 -6.054 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.779 14.592 -5.893 1.00 0.00 H new ATOM 0 HG CYS A 35 -2.720 12.744 -7.806 1.00 0.00 H new ATOM 268 N THR A 36 0.211 16.809 -4.918 1.00 0.00 N ATOM 269 CA THR A 36 0.710 17.347 -3.659 1.00 0.00 C ATOM 270 C THR A 36 -0.414 17.501 -2.642 1.00 0.00 C ATOM 271 O THR A 36 -1.492 18.000 -2.965 1.00 0.00 O ATOM 272 CB THR A 36 1.397 18.711 -3.859 1.00 0.00 C ATOM 273 OG1 THR A 36 2.491 18.567 -4.774 1.00 0.00 O ATOM 274 CG2 THR A 36 1.915 19.247 -2.533 1.00 0.00 C ATOM 0 H THR A 36 -0.498 17.386 -5.371 1.00 0.00 H new ATOM 0 HA THR A 36 1.443 16.634 -3.282 1.00 0.00 H new ATOM 0 HB THR A 36 0.668 19.414 -4.262 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.927 19.435 -4.902 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.397 20.211 -2.694 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.083 19.369 -1.840 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.637 18.546 -2.114 1.00 0.00 H new ATOM 299 N PRO A 38 -2.225 18.843 1.018 1.00 0.00 N ATOM 300 CA PRO A 38 -2.381 20.152 1.641 1.00 0.00 C ATOM 301 C PRO A 38 -1.177 20.497 2.509 1.00 0.00 C ATOM 302 O PRO A 38 -0.823 21.666 2.661 1.00 0.00 O ATOM 303 CB PRO A 38 -3.667 20.024 2.465 1.00 0.00 C ATOM 304 CG PRO A 38 -4.461 18.982 1.754 1.00 0.00 C ATOM 305 CD PRO A 38 -3.450 17.993 1.237 1.00 0.00 C ATOM 0 HA PRO A 38 -2.443 20.961 0.913 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.453 19.728 3.492 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.205 20.971 2.511 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.172 18.502 2.427 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.038 19.417 0.938 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.264 17.194 1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.784 17.520 0.313 1.00 0.00 H new ATOM 313 N GLY A 39 -0.549 19.472 3.075 1.00 0.00 N ATOM 314 CA GLY A 39 0.621 19.664 3.924 1.00 0.00 C ATOM 315 C GLY A 39 1.822 20.129 3.111 1.00 0.00 C ATOM 316 O GLY A 39 2.727 20.775 3.637 1.00 0.00 O ATOM 0 H GLY A 39 -0.831 18.498 2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.396 20.399 4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.862 18.730 4.432 1.00 0.00 H new ATOM 320 N GLY A 40 1.824 19.794 1.825 1.00 0.00 N ATOM 321 CA GLY A 40 2.868 20.253 0.916 1.00 0.00 C ATOM 322 C GLY A 40 3.867 19.142 0.620 1.00 0.00 C ATOM 323 O GLY A 40 5.059 19.395 0.449 1.00 0.00 O ATOM 0 H GLY A 40 1.114 19.206 1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.418 20.598 -0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.387 21.105 1.355 1.00 0.00 H new ATOM 327 N THR A 41 3.373 17.910 0.559 1.00 0.00 N ATOM 328 CA THR A 41 4.216 16.761 0.248 1.00 0.00 C ATOM 329 C THR A 41 3.835 16.145 -1.092 1.00 0.00 C ATOM 330 O THR A 41 2.670 15.827 -1.332 1.00 0.00 O ATOM 331 CB THR A 41 4.124 15.681 1.342 1.00 0.00 C ATOM 332 OG1 THR A 41 4.565 16.225 2.593 1.00 0.00 O ATOM 333 CG2 THR A 41 4.990 14.483 0.982 1.00 0.00 C ATOM 0 H THR A 41 2.392 17.681 0.721 1.00 0.00 H new ATOM 0 HA THR A 41 5.241 17.128 0.197 1.00 0.00 H new ATOM 0 HB THR A 41 3.087 15.356 1.424 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.504 15.537 3.288 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.913 13.730 1.766 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.650 14.059 0.037 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.028 14.801 0.885 1.00 0.00 H new ATOM 341 N LEU A 42 4.824 15.979 -1.964 1.00 0.00 N ATOM 342 CA LEU A 42 4.601 15.366 -3.267 1.00 0.00 C ATOM 343 C LEU A 42 4.444 13.856 -3.146 1.00 0.00 C ATOM 344 O LEU A 42 5.132 13.212 -2.354 1.00 0.00 O ATOM 345 CB LEU A 42 5.757 15.707 -4.217 1.00 0.00 C ATOM 346 CG LEU A 42 5.464 15.486 -5.707 1.00 0.00 C ATOM 347 CD1 LEU A 42 4.327 16.394 -6.155 1.00 0.00 C ATOM 348 CD2 LEU A 42 6.722 15.757 -6.519 1.00 0.00 C ATOM 0 H LEU A 42 5.789 16.261 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 42 3.674 15.768 -3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.033 16.751 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.623 15.106 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 42 5.159 14.452 -5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.126 16.230 -7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.431 16.168 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.608 17.435 -5.996 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.513 15.600 -7.577 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.042 16.787 -6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.514 15.079 -6.201 1.00 0.00 H new ATOM 360 N PHE A 43 3.534 13.296 -3.935 1.00 0.00 N ATOM 361 CA PHE A 43 3.364 11.849 -4.003 1.00 0.00 C ATOM 362 C PHE A 43 2.872 11.416 -5.378 1.00 0.00 C ATOM 363 O PHE A 43 2.361 12.228 -6.149 1.00 0.00 O ATOM 364 CB PHE A 43 2.390 11.374 -2.922 1.00 0.00 C ATOM 365 CG PHE A 43 0.967 11.790 -3.164 1.00 0.00 C ATOM 366 CD1 PHE A 43 0.512 13.032 -2.749 1.00 0.00 C ATOM 367 CD2 PHE A 43 0.081 10.939 -3.809 1.00 0.00 C ATOM 368 CE1 PHE A 43 -0.797 13.415 -2.970 1.00 0.00 C ATOM 369 CE2 PHE A 43 -1.228 11.321 -4.031 1.00 0.00 C ATOM 370 CZ PHE A 43 -1.668 12.559 -3.613 1.00 0.00 C ATOM 0 H PHE A 43 2.902 13.823 -4.537 1.00 0.00 H new ATOM 0 HA PHE A 43 4.337 11.390 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.435 10.287 -2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.714 11.764 -1.957 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.188 13.708 -2.247 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.418 9.968 -4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.139 14.385 -2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.908 10.649 -4.533 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.691 12.858 -3.788 1.00 0.00 H new ATOM 380 N SER A 44 3.032 10.132 -5.680 1.00 0.00 N ATOM 381 CA SER A 44 2.500 9.563 -6.912 1.00 0.00 C ATOM 382 C SER A 44 2.149 8.092 -6.733 1.00 0.00 C ATOM 383 O SER A 44 2.800 7.376 -5.973 1.00 0.00 O ATOM 384 CB SER A 44 3.500 9.734 -8.040 1.00 0.00 C ATOM 385 OG SER A 44 4.575 8.842 -7.931 1.00 0.00 O ATOM 0 H SER A 44 3.527 9.465 -5.087 1.00 0.00 H new ATOM 0 HA SER A 44 1.584 10.097 -7.165 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.998 9.581 -8.995 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.877 10.757 -8.038 1.00 0.00 H new ATOM 0 HG SER A 44 4.914 8.627 -8.825 1.00 0.00 H new ATOM 391 N THR A 45 1.116 7.646 -7.439 1.00 0.00 N ATOM 392 CA THR A 45 0.634 6.276 -7.311 1.00 0.00 C ATOM 393 C THR A 45 0.850 5.491 -8.599 1.00 0.00 C ATOM 394 O THR A 45 0.452 5.930 -9.678 1.00 0.00 O ATOM 395 CB THR A 45 -0.860 6.234 -6.941 1.00 0.00 C ATOM 396 OG1 THR A 45 -1.065 6.906 -5.691 1.00 0.00 O ATOM 397 CG2 THR A 45 -1.341 4.796 -6.824 1.00 0.00 C ATOM 0 H THR A 45 0.596 8.215 -8.107 1.00 0.00 H new ATOM 0 HA THR A 45 1.211 5.816 -6.509 1.00 0.00 H new ATOM 0 HB THR A 45 -1.427 6.733 -7.727 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.016 6.880 -5.458 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.399 4.786 -6.562 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.199 4.286 -7.777 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.771 4.283 -6.049 1.00 0.00 H new ATOM 422 N PRO A 47 0.618 1.986 -11.145 1.00 0.00 N ATOM 423 CA PRO A 47 -0.472 1.126 -11.594 1.00 0.00 C ATOM 424 C PRO A 47 -0.709 -0.017 -10.616 1.00 0.00 C ATOM 425 O PRO A 47 -1.830 -0.507 -10.481 1.00 0.00 O ATOM 426 CB PRO A 47 -0.013 0.626 -12.966 1.00 0.00 C ATOM 427 CG PRO A 47 0.891 1.698 -13.471 1.00 0.00 C ATOM 428 CD PRO A 47 1.612 2.217 -12.256 1.00 0.00 C ATOM 0 HA PRO A 47 -1.427 1.649 -11.651 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.508 -0.328 -12.887 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.859 0.472 -13.636 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.593 1.306 -14.207 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.325 2.491 -13.961 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.545 1.681 -12.081 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.865 3.272 -12.358 1.00 0.00 H new ATOM 436 N GLY A 48 0.352 -0.437 -9.936 1.00 0.00 N ATOM 437 CA GLY A 48 0.261 -1.526 -8.971 1.00 0.00 C ATOM 438 C GLY A 48 -0.621 -1.143 -7.789 1.00 0.00 C ATOM 439 O GLY A 48 -1.213 -2.004 -7.139 1.00 0.00 O ATOM 0 H GLY A 48 1.286 -0.039 -10.035 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.144 -2.414 -9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.258 -1.784 -8.615 1.00 0.00 H new ATOM 443 N GLY A 49 -0.705 0.154 -7.517 1.00 0.00 N ATOM 444 CA GLY A 49 -1.560 0.659 -6.448 1.00 0.00 C ATOM 445 C GLY A 49 -0.734 1.271 -5.325 1.00 0.00 C ATOM 446 O GLY A 49 -1.266 1.966 -4.458 1.00 0.00 O ATOM 0 H GLY A 49 -0.191 0.876 -8.022 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.244 1.407 -6.849 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.171 -0.153 -6.053 1.00 0.00 H new ATOM 450 N THR A 50 0.568 1.011 -5.344 1.00 0.00 N ATOM 451 CA THR A 50 1.470 1.533 -4.324 1.00 0.00 C ATOM 452 C THR A 50 1.605 3.047 -4.431 1.00 0.00 C ATOM 453 O THR A 50 1.859 3.581 -5.510 1.00 0.00 O ATOM 454 CB THR A 50 2.867 0.894 -4.424 1.00 0.00 C ATOM 455 OG1 THR A 50 2.755 -0.529 -4.303 1.00 0.00 O ATOM 456 CG2 THR A 50 3.775 1.422 -3.324 1.00 0.00 C ATOM 0 H THR A 50 1.024 0.440 -6.056 1.00 0.00 H new ATOM 0 HA THR A 50 1.033 1.278 -3.358 1.00 0.00 H new ATOM 0 HB THR A 50 3.298 1.150 -5.392 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.645 -0.934 -4.369 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.758 0.959 -3.410 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.873 2.503 -3.421 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.345 1.182 -2.351 1.00 0.00 H new ATOM 464 N ARG A 51 1.434 3.732 -3.306 1.00 0.00 N ATOM 465 CA ARG A 51 1.614 5.178 -3.254 1.00 0.00 C ATOM 466 C ARG A 51 3.014 5.541 -2.778 1.00 0.00 C ATOM 467 O ARG A 51 3.418 5.178 -1.673 1.00 0.00 O ATOM 468 CB ARG A 51 0.545 5.860 -2.414 1.00 0.00 C ATOM 469 CG ARG A 51 0.717 7.363 -2.257 1.00 0.00 C ATOM 470 CD ARG A 51 -0.399 8.036 -1.544 1.00 0.00 C ATOM 471 NE ARG A 51 -1.678 7.973 -2.232 1.00 0.00 N ATOM 472 CZ ARG A 51 -2.858 8.333 -1.689 1.00 0.00 C ATOM 473 NH1 ARG A 51 -2.931 8.747 -0.444 1.00 0.00 N ATOM 474 NH2 ARG A 51 -3.944 8.237 -2.435 1.00 0.00 N ATOM 0 H ARG A 51 1.171 3.308 -2.416 1.00 0.00 H new ATOM 0 HA ARG A 51 1.500 5.552 -4.271 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.429 5.665 -2.863 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.536 5.404 -1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.645 7.556 -1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.823 7.810 -3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.508 7.584 -0.558 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.136 9.082 -1.388 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.683 7.632 -3.193 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.087 8.800 0.126 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.832 9.016 -0.048 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.875 7.898 -3.394 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.851 8.502 -2.052 1.00 0.00 H new ATOM 488 N ILE A 52 3.752 6.262 -3.617 1.00 0.00 N ATOM 489 CA ILE A 52 5.095 6.706 -3.268 1.00 0.00 C ATOM 490 C ILE A 52 5.076 8.118 -2.695 1.00 0.00 C ATOM 491 O ILE A 52 4.662 9.064 -3.364 1.00 0.00 O ATOM 492 CB ILE A 52 6.036 6.669 -4.486 1.00 0.00 C ATOM 493 CG1 ILE A 52 6.131 5.248 -5.044 1.00 0.00 C ATOM 494 CG2 ILE A 52 7.415 7.191 -4.109 1.00 0.00 C ATOM 495 CD1 ILE A 52 6.853 5.158 -6.370 1.00 0.00 C ATOM 0 H ILE A 52 3.441 6.551 -4.544 1.00 0.00 H new ATOM 0 HA ILE A 52 5.468 6.015 -2.512 1.00 0.00 H new ATOM 0 HB ILE A 52 5.625 7.316 -5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.644 4.617 -4.318 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.125 4.846 -5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.068 7.158 -4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.331 8.219 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.835 6.570 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.879 4.120 -6.700 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.329 5.761 -7.111 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.872 5.528 -6.255 1.00 0.00 H new ATOM 507 N ILE A 53 5.527 8.252 -1.452 1.00 0.00 N ATOM 508 CA ILE A 53 5.609 9.556 -0.805 1.00 0.00 C ATOM 509 C ILE A 53 7.006 10.150 -0.940 1.00 0.00 C ATOM 510 O ILE A 53 7.992 9.544 -0.521 1.00 0.00 O ATOM 511 CB ILE A 53 5.241 9.469 0.688 1.00 0.00 C ATOM 512 CG1 ILE A 53 3.861 8.829 0.861 1.00 0.00 C ATOM 513 CG2 ILE A 53 5.274 10.850 1.325 1.00 0.00 C ATOM 514 CD1 ILE A 53 2.748 9.583 0.169 1.00 0.00 C ATOM 0 H ILE A 53 5.841 7.473 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 53 4.892 10.204 -1.309 1.00 0.00 H new ATOM 0 HB ILE A 53 5.977 8.842 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.892 7.810 0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.634 8.760 1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.012 10.770 2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.275 11.270 1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.559 11.500 0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.801 9.069 0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.688 10.594 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.951 9.630 -0.901 1.00 0.00 H new ATOM 526 N TYR A 54 7.083 11.339 -1.528 1.00 0.00 N ATOM 527 CA TYR A 54 8.366 11.958 -1.838 1.00 0.00 C ATOM 528 C TYR A 54 8.747 12.992 -0.786 1.00 0.00 C ATOM 529 O TYR A 54 8.047 13.986 -0.596 1.00 0.00 O ATOM 530 CB TYR A 54 8.325 12.609 -3.222 1.00 0.00 C ATOM 531 CG TYR A 54 8.083 11.631 -4.352 1.00 0.00 C ATOM 532 CD1 TYR A 54 9.102 10.809 -4.811 1.00 0.00 C ATOM 533 CD2 TYR A 54 6.840 11.536 -4.958 1.00 0.00 C ATOM 534 CE1 TYR A 54 8.888 9.916 -5.842 1.00 0.00 C ATOM 535 CE2 TYR A 54 6.614 10.645 -5.990 1.00 0.00 C ATOM 536 CZ TYR A 54 7.642 9.836 -6.429 1.00 0.00 C ATOM 537 OH TYR A 54 7.424 8.948 -7.457 1.00 0.00 O ATOM 0 H TYR A 54 6.271 11.894 -1.800 1.00 0.00 H new ATOM 0 HA TYR A 54 9.123 11.174 -1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.540 13.365 -3.234 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.268 13.126 -3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.079 10.869 -4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.034 12.169 -4.618 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.692 9.283 -6.187 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.639 10.582 -6.450 1.00 0.00 H new ATOM 0 HH TYR A 54 6.463 8.890 -7.641 1.00 0.00 H new ATOM 547 N ASP A 55 9.862 12.752 -0.106 1.00 0.00 N ATOM 548 CA ASP A 55 10.363 13.684 0.898 1.00 0.00 C ATOM 549 C ASP A 55 11.195 14.788 0.258 1.00 0.00 C ATOM 550 O ASP A 55 12.345 14.571 -0.124 1.00 0.00 O ATOM 551 CB ASP A 55 11.193 12.944 1.950 1.00 0.00 C ATOM 552 CG ASP A 55 10.382 12.045 2.873 1.00 0.00 C ATOM 553 OD1 ASP A 55 9.177 12.103 2.817 1.00 0.00 O ATOM 554 OD2 ASP A 55 10.965 11.200 3.509 1.00 0.00 O ATOM 0 H ASP A 55 10.437 11.919 -0.232 1.00 0.00 H new ATOM 0 HA ASP A 55 9.503 14.143 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.945 12.339 1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.728 13.677 2.554 1.00 0.00 H new ATOM 559 N ARG A 56 10.606 15.974 0.142 1.00 0.00 N ATOM 560 CA ARG A 56 11.215 17.061 -0.614 1.00 0.00 C ATOM 561 C ARG A 56 12.424 17.631 0.118 1.00 0.00 C ATOM 562 O ARG A 56 12.331 18.018 1.283 1.00 0.00 O ATOM 563 CB ARG A 56 10.211 18.150 -0.963 1.00 0.00 C ATOM 564 CG ARG A 56 10.740 19.233 -1.890 1.00 0.00 C ATOM 565 CD ARG A 56 9.730 20.249 -2.284 1.00 0.00 C ATOM 566 NE ARG A 56 10.170 21.166 -3.323 1.00 0.00 N ATOM 567 CZ ARG A 56 9.435 22.186 -3.805 1.00 0.00 C ATOM 568 NH1 ARG A 56 8.211 22.402 -3.374 1.00 0.00 N ATOM 569 NH2 ARG A 56 9.966 22.951 -4.742 1.00 0.00 N ATOM 0 H ARG A 56 9.706 16.206 0.563 1.00 0.00 H new ATOM 0 HA ARG A 56 11.563 16.640 -1.557 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.341 17.687 -1.428 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.868 18.617 -0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.574 19.737 -1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.135 18.763 -2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.832 19.736 -2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.451 20.826 -1.402 1.00 0.00 H new ATOM 0 HE ARG A 56 11.102 21.027 -3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.805 21.792 -2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.668 23.179 -3.750 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.909 22.761 -5.081 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.433 23.731 -5.126 1.00 0.00 H new ATOM 583 N LYS A 57 13.558 17.680 -0.573 1.00 0.00 N ATOM 584 CA LYS A 57 14.775 18.252 -0.007 1.00 0.00 C ATOM 585 C LYS A 57 15.198 17.507 1.252 1.00 0.00 C ATOM 586 O LYS A 57 15.592 18.120 2.245 1.00 0.00 O ATOM 587 CB LYS A 57 14.576 19.736 0.301 1.00 0.00 C ATOM 588 CG LYS A 57 14.344 20.608 -0.926 1.00 0.00 C ATOM 589 CD LYS A 57 14.053 22.049 -0.534 1.00 0.00 C ATOM 590 CE LYS A 57 13.770 22.909 -1.757 1.00 0.00 C ATOM 591 NZ LYS A 57 13.572 24.340 -1.396 1.00 0.00 N ATOM 0 H LYS A 57 13.660 17.331 -1.526 1.00 0.00 H new ATOM 0 HA LYS A 57 15.569 18.149 -0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.726 19.844 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.453 20.105 0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 57 15.223 20.575 -1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.510 20.211 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.197 22.079 0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.903 22.458 0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.598 22.823 -2.460 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.880 22.536 -2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.382 24.892 -2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.766 24.425 -0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.430 24.703 -0.934 1.00 0.00 H new