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 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=-0.00873 X(o=-0.0087,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.0424 USER MOD Single : A 36 THR OG1 : rot 180:sc=-5.91e-05 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 114:sc= 0.851 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 54 TYR OH : rot 30:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 18 -0.266 -0.122 -0.326 1.00 0.00 N ATOM 2 CA PRO A 18 1.183 -0.087 -0.174 1.00 0.00 C ATOM 3 C PRO A 18 1.739 1.292 -0.504 1.00 0.00 C ATOM 4 O PRO A 18 1.203 2.001 -1.357 1.00 0.00 O ATOM 5 CB PRO A 18 1.687 -1.159 -1.146 1.00 0.00 C ATOM 6 CG PRO A 18 0.657 -1.199 -2.223 1.00 0.00 C ATOM 7 CD PRO A 18 -0.654 -0.935 -1.530 1.00 0.00 C ATOM 0 HA PRO A 18 1.505 -0.282 0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.669 -0.903 -1.545 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.785 -2.127 -0.654 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.857 -0.447 -2.986 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.649 -2.167 -2.724 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.345 -0.391 -2.174 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.149 -1.863 -1.244 1.00 0.00 H new ATOM 17 N THR A 19 2.817 1.669 0.176 1.00 0.00 N ATOM 18 CA THR A 19 3.454 2.960 -0.053 1.00 0.00 C ATOM 19 C THR A 19 4.955 2.803 -0.263 1.00 0.00 C ATOM 20 O THR A 19 5.521 1.741 -0.003 1.00 0.00 O ATOM 21 CB THR A 19 3.209 3.928 1.119 1.00 0.00 C ATOM 22 OG1 THR A 19 3.787 3.390 2.315 1.00 0.00 O ATOM 23 CG2 THR A 19 1.717 4.139 1.331 1.00 0.00 C ATOM 0 H THR A 19 3.268 1.098 0.891 1.00 0.00 H new ATOM 0 HA THR A 19 3.005 3.376 -0.955 1.00 0.00 H new ATOM 0 HB THR A 19 3.672 4.886 0.884 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.632 4.008 3.060 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.561 4.826 2.163 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.277 4.559 0.427 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.243 3.184 1.555 1.00 0.00 H new ATOM 31 N ARG A 20 5.596 3.867 -0.734 1.00 0.00 N ATOM 32 CA ARG A 20 7.040 3.863 -0.942 1.00 0.00 C ATOM 33 C ARG A 20 7.655 5.202 -0.561 1.00 0.00 C ATOM 34 O ARG A 20 7.187 6.257 -0.991 1.00 0.00 O ATOM 35 CB ARG A 20 7.413 3.462 -2.361 1.00 0.00 C ATOM 36 CG ARG A 20 8.908 3.414 -2.639 1.00 0.00 C ATOM 37 CD ARG A 20 9.260 2.998 -4.021 1.00 0.00 C ATOM 38 NE ARG A 20 10.687 2.993 -4.304 1.00 0.00 N ATOM 39 CZ ARG A 20 11.240 2.535 -5.444 1.00 0.00 C ATOM 40 NH1 ARG A 20 10.497 2.010 -6.393 1.00 0.00 N ATOM 41 NH2 ARG A 20 12.553 2.605 -5.573 1.00 0.00 N ATOM 0 H ARG A 20 5.138 4.745 -0.979 1.00 0.00 H new ATOM 0 HA ARG A 20 7.457 3.104 -0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.987 2.481 -2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.951 4.164 -3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.333 4.400 -2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.375 2.725 -1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.864 1.998 -4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.765 3.666 -4.725 1.00 0.00 H new ATOM 0 HE ARG A 20 11.313 3.362 -3.589 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.486 1.945 -6.272 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.931 1.668 -7.250 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.119 2.998 -4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.001 2.266 -6.425 1.00 0.00 H new ATOM 55 N THR A 21 8.708 5.156 0.249 1.00 0.00 N ATOM 56 CA THR A 21 9.363 6.369 0.724 1.00 0.00 C ATOM 57 C THR A 21 10.535 6.749 -0.172 1.00 0.00 C ATOM 58 O THR A 21 11.525 6.020 -0.257 1.00 0.00 O ATOM 59 CB THR A 21 9.866 6.209 2.171 1.00 0.00 C ATOM 60 OG1 THR A 21 8.757 5.934 3.037 1.00 0.00 O ATOM 61 CG2 THR A 21 10.565 7.477 2.635 1.00 0.00 C ATOM 0 H THR A 21 9.126 4.290 0.590 1.00 0.00 H new ATOM 0 HA THR A 21 8.616 7.162 0.695 1.00 0.00 H new ATOM 0 HB THR A 21 10.576 5.382 2.205 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.078 5.831 3.957 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.914 7.346 3.659 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.416 7.682 1.985 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.867 8.313 2.593 1.00 0.00 H new ATOM 69 N VAL A 22 10.418 7.892 -0.837 1.00 0.00 N ATOM 70 CA VAL A 22 11.492 8.399 -1.683 1.00 0.00 C ATOM 71 C VAL A 22 11.883 9.817 -1.288 1.00 0.00 C ATOM 72 O VAL A 22 11.040 10.713 -1.239 1.00 0.00 O ATOM 73 CB VAL A 22 11.094 8.383 -3.171 1.00 0.00 C ATOM 74 CG1 VAL A 22 12.200 8.985 -4.025 1.00 0.00 C ATOM 75 CG2 VAL A 22 10.785 6.964 -3.625 1.00 0.00 C ATOM 0 H VAL A 22 9.589 8.486 -0.807 1.00 0.00 H new ATOM 0 HA VAL A 22 12.345 7.737 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 22 10.195 8.988 -3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.902 8.966 -5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.377 10.016 -3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.114 8.406 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.506 6.972 -4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.667 6.338 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.961 6.564 -3.034 1.00 0.00 H new ATOM 85 N ALA A 23 13.166 10.015 -1.005 1.00 0.00 N ATOM 86 CA ALA A 23 13.681 11.335 -0.666 1.00 0.00 C ATOM 87 C ALA A 23 14.109 12.098 -1.913 1.00 0.00 C ATOM 88 O ALA A 23 14.712 11.528 -2.824 1.00 0.00 O ATOM 89 CB ALA A 23 14.842 11.217 0.311 1.00 0.00 C ATOM 0 H ALA A 23 13.869 9.276 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 23 12.878 11.897 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.215 12.212 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.502 10.724 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.641 10.630 -0.142 1.00 0.00 H new ATOM 95 N ILE A 24 13.795 13.387 -1.950 1.00 0.00 N ATOM 96 CA ILE A 24 14.124 14.224 -3.097 1.00 0.00 C ATOM 97 C ILE A 24 14.713 15.558 -2.656 1.00 0.00 C ATOM 98 O ILE A 24 14.643 15.919 -1.481 1.00 0.00 O ATOM 99 CB ILE A 24 12.889 14.485 -3.979 1.00 0.00 C ATOM 100 CG1 ILE A 24 11.815 15.234 -3.186 1.00 0.00 C ATOM 101 CG2 ILE A 24 12.338 13.177 -4.524 1.00 0.00 C ATOM 102 CD1 ILE A 24 10.647 15.697 -4.026 1.00 0.00 C ATOM 0 H ILE A 24 13.312 13.877 -1.197 1.00 0.00 H new ATOM 0 HA ILE A 24 14.866 13.679 -3.680 1.00 0.00 H new ATOM 0 HB ILE A 24 13.191 15.107 -4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.445 14.586 -2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.270 16.100 -2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.466 13.380 -5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.102 12.682 -5.123 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.051 12.530 -3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.929 16.219 -3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.003 16.372 -4.804 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.165 14.834 -4.487 1.00 0.00 H new ATOM 114 N SER A 25 15.292 16.286 -3.604 1.00 0.00 N ATOM 115 CA SER A 25 15.830 17.613 -3.330 1.00 0.00 C ATOM 116 C SER A 25 14.872 18.702 -3.793 1.00 0.00 C ATOM 117 O SER A 25 14.856 19.803 -3.242 1.00 0.00 O ATOM 118 CB SER A 25 17.181 17.778 -4.000 1.00 0.00 C ATOM 119 OG SER A 25 17.086 17.720 -5.397 1.00 0.00 O ATOM 0 H SER A 25 15.401 15.979 -4.571 1.00 0.00 H new ATOM 0 HA SER A 25 15.954 17.713 -2.252 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.617 18.733 -3.706 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.857 16.998 -3.650 1.00 0.00 H new ATOM 0 HG SER A 25 17.977 17.832 -5.790 1.00 0.00 H new ATOM 174 N LEU A 30 10.905 15.715 -10.332 1.00 0.00 N ATOM 175 CA LEU A 30 9.746 14.838 -10.452 1.00 0.00 C ATOM 176 C LEU A 30 9.072 14.998 -11.809 1.00 0.00 C ATOM 177 O LEU A 30 9.250 16.011 -12.484 1.00 0.00 O ATOM 178 CB LEU A 30 8.747 15.121 -9.323 1.00 0.00 C ATOM 179 CG LEU A 30 9.293 14.918 -7.903 1.00 0.00 C ATOM 180 CD1 LEU A 30 8.207 15.218 -6.879 1.00 0.00 C ATOM 181 CD2 LEU A 30 9.799 13.491 -7.751 1.00 0.00 C ATOM 0 HA LEU A 30 10.092 13.808 -10.368 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.398 16.149 -9.417 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.879 14.476 -9.457 1.00 0.00 H new ATOM 0 HG LEU A 30 10.123 15.604 -7.731 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.604 15.071 -5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.876 16.251 -6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.362 14.547 -7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.187 13.348 -6.742 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.980 12.794 -7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.594 13.308 -8.474 1.00 0.00 H new ATOM 193 N PRO A 31 8.297 13.993 -12.202 1.00 0.00 N ATOM 194 CA PRO A 31 7.507 14.067 -13.425 1.00 0.00 C ATOM 195 C PRO A 31 6.393 15.099 -13.298 1.00 0.00 C ATOM 196 O PRO A 31 6.291 15.795 -12.288 1.00 0.00 O ATOM 197 CB PRO A 31 6.961 12.647 -13.604 1.00 0.00 C ATOM 198 CG PRO A 31 6.893 12.098 -12.220 1.00 0.00 C ATOM 199 CD PRO A 31 8.079 12.681 -11.500 1.00 0.00 C ATOM 0 HA PRO A 31 8.091 14.389 -14.287 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.979 12.656 -14.077 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.614 12.047 -14.238 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.960 12.379 -11.731 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.934 11.009 -12.227 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.876 12.821 -10.438 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.953 12.034 -11.575 1.00 0.00 H new ATOM 207 N HIS A 32 5.560 15.191 -14.330 1.00 0.00 N ATOM 208 CA HIS A 32 4.428 16.109 -14.320 1.00 0.00 C ATOM 209 C HIS A 32 3.155 15.408 -13.863 1.00 0.00 C ATOM 210 O HIS A 32 2.060 15.962 -13.962 1.00 0.00 O ATOM 211 CB HIS A 32 4.217 16.726 -15.706 1.00 0.00 C ATOM 212 CG HIS A 32 5.344 17.607 -16.150 1.00 0.00 C ATOM 213 ND1 HIS A 32 5.433 18.113 -17.430 1.00 0.00 N ATOM 214 CD2 HIS A 32 6.429 18.069 -15.486 1.00 0.00 C ATOM 215 CE1 HIS A 32 6.524 18.851 -17.533 1.00 0.00 C ATOM 216 NE2 HIS A 32 7.146 18.840 -16.368 1.00 0.00 N ATOM 0 H HIS A 32 5.648 14.640 -15.184 1.00 0.00 H new ATOM 0 HA HIS A 32 4.656 16.905 -13.611 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.084 15.926 -16.434 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.295 17.307 -15.699 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.683 17.869 -14.456 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.852 19.374 -18.419 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.018 19.326 -16.157 1.00 0.00 H new ATOM 224 N ASP A 33 3.305 14.186 -13.364 1.00 0.00 N ATOM 225 CA ASP A 33 2.161 13.378 -12.960 1.00 0.00 C ATOM 226 C ASP A 33 2.236 13.019 -11.481 1.00 0.00 C ATOM 227 O ASP A 33 2.347 11.847 -11.122 1.00 0.00 O ATOM 228 CB ASP A 33 2.077 12.105 -13.805 1.00 0.00 C ATOM 229 CG ASP A 33 0.789 11.312 -13.623 1.00 0.00 C ATOM 230 OD1 ASP A 33 -0.133 11.839 -13.048 1.00 0.00 O ATOM 231 OD2 ASP A 33 0.682 10.253 -14.194 1.00 0.00 O ATOM 0 H ASP A 33 4.209 13.733 -13.230 1.00 0.00 H new ATOM 0 HA ASP A 33 1.261 13.971 -13.123 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.178 12.374 -14.856 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.922 11.463 -13.558 1.00 0.00 H new ATOM 236 N TYR A 34 2.173 14.035 -10.627 1.00 0.00 N ATOM 237 CA TYR A 34 2.143 13.824 -9.185 1.00 0.00 C ATOM 238 C TYR A 34 1.175 14.784 -8.507 1.00 0.00 C ATOM 239 O TYR A 34 0.677 15.721 -9.130 1.00 0.00 O ATOM 240 CB TYR A 34 3.545 13.984 -8.591 1.00 0.00 C ATOM 241 CG TYR A 34 4.069 15.403 -8.632 1.00 0.00 C ATOM 242 CD1 TYR A 34 3.744 16.312 -7.636 1.00 0.00 C ATOM 243 CD2 TYR A 34 4.888 15.828 -9.667 1.00 0.00 C ATOM 244 CE1 TYR A 34 4.219 17.608 -7.669 1.00 0.00 C ATOM 245 CE2 TYR A 34 5.370 17.122 -9.710 1.00 0.00 C ATOM 246 CZ TYR A 34 5.034 18.010 -8.708 1.00 0.00 C ATOM 247 OH TYR A 34 5.512 19.300 -8.746 1.00 0.00 O ATOM 0 H TYR A 34 2.142 15.015 -10.910 1.00 0.00 H new ATOM 0 HA TYR A 34 1.795 12.807 -9.005 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.532 13.641 -7.556 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.235 13.336 -9.132 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.108 16.001 -6.820 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.154 15.136 -10.453 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.954 18.303 -6.886 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.007 17.437 -10.524 1.00 0.00 H new ATOM 0 HH TYR A 34 6.071 19.418 -9.542 1.00 0.00 H new ATOM 257 N CYS A 35 0.913 14.546 -7.226 1.00 0.00 N ATOM 258 CA CYS A 35 0.041 15.417 -6.448 1.00 0.00 C ATOM 259 C CYS A 35 0.696 15.820 -5.133 1.00 0.00 C ATOM 260 O CYS A 35 1.782 15.346 -4.798 1.00 0.00 O ATOM 261 CB CYS A 35 -1.180 14.532 -6.193 1.00 0.00 C ATOM 262 SG CYS A 35 -2.064 14.027 -7.687 1.00 0.00 S ATOM 0 H CYS A 35 1.293 13.756 -6.705 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.195 16.352 -6.957 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.860 13.639 -5.656 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.870 15.066 -5.540 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.077 13.281 -7.360 1.00 0.00 H new ATOM 268 N THR A 36 0.029 16.698 -4.391 1.00 0.00 N ATOM 269 CA THR A 36 0.528 17.139 -3.093 1.00 0.00 C ATOM 270 C THR A 36 -0.618 17.514 -2.162 1.00 0.00 C ATOM 271 O THR A 36 -1.676 17.957 -2.609 1.00 0.00 O ATOM 272 CB THR A 36 1.478 18.343 -3.231 1.00 0.00 C ATOM 273 OG1 THR A 36 2.024 18.673 -1.948 1.00 0.00 O ATOM 274 CG2 THR A 36 0.735 19.548 -3.788 1.00 0.00 C ATOM 0 H THR A 36 -0.859 17.118 -4.666 1.00 0.00 H new ATOM 0 HA THR A 36 1.079 16.301 -2.668 1.00 0.00 H new ATOM 0 HB THR A 36 2.281 18.076 -3.918 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.630 19.438 -2.037 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.422 20.389 -3.879 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.329 19.303 -4.770 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.080 19.816 -3.115 1.00 0.00 H new ATOM 299 N PRO A 38 -2.170 19.673 1.314 1.00 0.00 N ATOM 300 CA PRO A 38 -2.095 21.041 1.811 1.00 0.00 C ATOM 301 C PRO A 38 -0.885 21.233 2.717 1.00 0.00 C ATOM 302 O PRO A 38 -0.324 22.326 2.797 1.00 0.00 O ATOM 303 CB PRO A 38 -3.415 21.238 2.564 1.00 0.00 C ATOM 304 CG PRO A 38 -4.364 20.300 1.901 1.00 0.00 C ATOM 305 CD PRO A 38 -3.543 19.093 1.535 1.00 0.00 C ATOM 0 HA PRO A 38 -1.968 21.773 1.014 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.306 21.009 3.624 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.762 22.269 2.495 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.182 20.031 2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.811 20.754 1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.543 18.348 2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.923 18.603 0.639 1.00 0.00 H new ATOM 313 N GLY A 39 -0.486 20.164 3.397 1.00 0.00 N ATOM 314 CA GLY A 39 0.658 20.213 4.300 1.00 0.00 C ATOM 315 C GLY A 39 1.951 20.471 3.538 1.00 0.00 C ATOM 316 O GLY A 39 2.905 21.025 4.084 1.00 0.00 O ATOM 0 H GLY A 39 -0.939 19.252 3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.507 20.998 5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.735 19.272 4.844 1.00 0.00 H new ATOM 320 N GLY A 40 1.976 20.066 2.272 1.00 0.00 N ATOM 321 CA GLY A 40 3.122 20.322 1.408 1.00 0.00 C ATOM 322 C GLY A 40 3.888 19.040 1.112 1.00 0.00 C ATOM 323 O GLY A 40 5.036 19.078 0.670 1.00 0.00 O ATOM 0 H GLY A 40 1.214 19.559 1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.783 20.770 0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.786 21.043 1.885 1.00 0.00 H new ATOM 327 N THR A 41 3.246 17.903 1.360 1.00 0.00 N ATOM 328 CA THR A 41 3.853 16.606 1.090 1.00 0.00 C ATOM 329 C THR A 41 3.460 16.088 -0.288 1.00 0.00 C ATOM 330 O THR A 41 2.278 15.909 -0.581 1.00 0.00 O ATOM 331 CB THR A 41 3.453 15.563 2.151 1.00 0.00 C ATOM 332 OG1 THR A 41 3.900 15.996 3.443 1.00 0.00 O ATOM 333 CG2 THR A 41 4.073 14.212 1.832 1.00 0.00 C ATOM 0 H THR A 41 2.304 17.854 1.748 1.00 0.00 H new ATOM 0 HA THR A 41 4.933 16.753 1.125 1.00 0.00 H new ATOM 0 HB THR A 41 2.368 15.463 2.148 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.643 15.333 4.117 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.779 13.488 2.592 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.726 13.874 0.856 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.159 14.304 1.819 1.00 0.00 H new ATOM 341 N LEU A 42 4.460 15.849 -1.131 1.00 0.00 N ATOM 342 CA LEU A 42 4.220 15.369 -2.486 1.00 0.00 C ATOM 343 C LEU A 42 4.084 13.853 -2.518 1.00 0.00 C ATOM 344 O LEU A 42 4.663 13.151 -1.689 1.00 0.00 O ATOM 345 CB LEU A 42 5.351 15.824 -3.418 1.00 0.00 C ATOM 346 CG LEU A 42 5.214 17.251 -3.962 1.00 0.00 C ATOM 347 CD1 LEU A 42 5.308 18.256 -2.822 1.00 0.00 C ATOM 348 CD2 LEU A 42 6.300 17.507 -4.997 1.00 0.00 C ATOM 0 H LEU A 42 5.444 15.980 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 42 3.280 15.797 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.296 15.746 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.405 15.135 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 42 4.241 17.366 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.210 19.266 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.509 18.068 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.273 18.154 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.202 18.521 -5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.279 17.388 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.197 16.795 -5.816 1.00 0.00 H new ATOM 360 N PHE A 43 3.317 13.352 -3.481 1.00 0.00 N ATOM 361 CA PHE A 43 3.152 11.914 -3.659 1.00 0.00 C ATOM 362 C PHE A 43 2.670 11.585 -5.066 1.00 0.00 C ATOM 363 O PHE A 43 1.983 12.387 -5.700 1.00 0.00 O ATOM 364 CB PHE A 43 2.173 11.357 -2.624 1.00 0.00 C ATOM 365 CG PHE A 43 0.776 11.891 -2.761 1.00 0.00 C ATOM 366 CD1 PHE A 43 0.417 13.094 -2.173 1.00 0.00 C ATOM 367 CD2 PHE A 43 -0.182 11.192 -3.479 1.00 0.00 C ATOM 368 CE1 PHE A 43 -0.867 13.587 -2.296 1.00 0.00 C ATOM 369 CE2 PHE A 43 -1.468 11.683 -3.606 1.00 0.00 C ATOM 370 CZ PHE A 43 -1.811 12.881 -3.015 1.00 0.00 C ATOM 0 H PHE A 43 2.799 13.921 -4.151 1.00 0.00 H new ATOM 0 HA PHE A 43 4.125 11.445 -3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.147 10.271 -2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.544 11.588 -1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.151 13.653 -1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.079 10.253 -3.944 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.133 14.524 -1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.204 11.128 -4.168 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.815 13.266 -3.114 1.00 0.00 H new ATOM 380 N SER A 44 3.034 10.403 -5.549 1.00 0.00 N ATOM 381 CA SER A 44 2.548 9.918 -6.835 1.00 0.00 C ATOM 382 C SER A 44 2.324 8.412 -6.809 1.00 0.00 C ATOM 383 O SER A 44 3.200 7.652 -6.395 1.00 0.00 O ATOM 384 CB SER A 44 3.525 10.288 -7.936 1.00 0.00 C ATOM 385 OG SER A 44 3.075 9.881 -9.198 1.00 0.00 O ATOM 0 H SER A 44 3.665 9.762 -5.068 1.00 0.00 H new ATOM 0 HA SER A 44 1.589 10.395 -7.036 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.678 11.367 -7.937 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.492 9.829 -7.731 1.00 0.00 H new ATOM 0 HG SER A 44 2.879 10.670 -9.746 1.00 0.00 H new ATOM 391 N THR A 45 1.146 7.986 -7.252 1.00 0.00 N ATOM 392 CA THR A 45 0.795 6.571 -7.254 1.00 0.00 C ATOM 393 C THR A 45 1.199 5.905 -8.563 1.00 0.00 C ATOM 394 O THR A 45 1.471 6.579 -9.556 1.00 0.00 O ATOM 395 CB THR A 45 -0.714 6.363 -7.028 1.00 0.00 C ATOM 396 OG1 THR A 45 -1.443 6.888 -8.145 1.00 0.00 O ATOM 397 CG2 THR A 45 -1.165 7.066 -5.758 1.00 0.00 C ATOM 0 H THR A 45 0.418 8.601 -7.615 1.00 0.00 H new ATOM 0 HA THR A 45 1.343 6.111 -6.432 1.00 0.00 H new ATOM 0 HB THR A 45 -0.908 5.295 -6.928 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.403 6.754 -8.001 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.234 6.908 -5.615 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.621 6.661 -4.905 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.964 8.134 -5.842 1.00 0.00 H new ATOM 422 N PRO A 47 0.397 2.320 -11.306 1.00 0.00 N ATOM 423 CA PRO A 47 -0.658 1.418 -11.753 1.00 0.00 C ATOM 424 C PRO A 47 -0.770 0.205 -10.838 1.00 0.00 C ATOM 425 O PRO A 47 -1.849 -0.363 -10.675 1.00 0.00 O ATOM 426 CB PRO A 47 -0.240 1.030 -13.175 1.00 0.00 C ATOM 427 CG PRO A 47 0.569 2.188 -13.654 1.00 0.00 C ATOM 428 CD PRO A 47 1.318 2.679 -12.443 1.00 0.00 C ATOM 0 HA PRO A 47 -1.645 1.879 -11.731 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.343 0.109 -13.180 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.108 0.861 -13.812 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.255 1.887 -14.446 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.069 2.970 -14.065 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.289 2.193 -12.345 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.502 3.752 -12.490 1.00 0.00 H new ATOM 436 N GLY A 48 0.351 -0.185 -10.243 1.00 0.00 N ATOM 437 CA GLY A 48 0.383 -1.339 -9.352 1.00 0.00 C ATOM 438 C GLY A 48 -0.456 -1.096 -8.105 1.00 0.00 C ATOM 439 O GLY A 48 -0.963 -2.037 -7.493 1.00 0.00 O ATOM 0 H GLY A 48 1.251 0.281 -10.361 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.011 -2.218 -9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.413 -1.551 -9.065 1.00 0.00 H new ATOM 443 N GLY A 49 -0.599 0.170 -7.731 1.00 0.00 N ATOM 444 CA GLY A 49 -1.421 0.544 -6.588 1.00 0.00 C ATOM 445 C GLY A 49 -0.564 1.038 -5.430 1.00 0.00 C ATOM 446 O GLY A 49 -1.051 1.210 -4.312 1.00 0.00 O ATOM 0 H GLY A 49 -0.155 0.956 -8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.124 1.324 -6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.012 -0.313 -6.266 1.00 0.00 H new ATOM 450 N THR A 50 0.717 1.265 -5.703 1.00 0.00 N ATOM 451 CA THR A 50 1.642 1.755 -4.689 1.00 0.00 C ATOM 452 C THR A 50 1.758 3.274 -4.738 1.00 0.00 C ATOM 453 O THR A 50 1.977 3.854 -5.801 1.00 0.00 O ATOM 454 CB THR A 50 3.042 1.137 -4.855 1.00 0.00 C ATOM 455 OG1 THR A 50 2.953 -0.291 -4.754 1.00 0.00 O ATOM 456 CG2 THR A 50 3.986 1.659 -3.782 1.00 0.00 C ATOM 0 H THR A 50 1.138 1.117 -6.620 1.00 0.00 H new ATOM 0 HA THR A 50 1.236 1.456 -3.723 1.00 0.00 H new ATOM 0 HB THR A 50 3.431 1.415 -5.834 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.845 -0.683 -4.862 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.971 1.211 -3.915 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.066 2.743 -3.864 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.598 1.397 -2.798 1.00 0.00 H new ATOM 464 N ARG A 51 1.612 3.911 -3.582 1.00 0.00 N ATOM 465 CA ARG A 51 1.773 5.356 -3.478 1.00 0.00 C ATOM 466 C ARG A 51 3.198 5.725 -3.087 1.00 0.00 C ATOM 467 O ARG A 51 3.649 5.419 -1.984 1.00 0.00 O ATOM 468 CB ARG A 51 0.757 5.981 -2.534 1.00 0.00 C ATOM 469 CG ARG A 51 0.930 7.474 -2.305 1.00 0.00 C ATOM 470 CD ARG A 51 -0.137 8.094 -1.477 1.00 0.00 C ATOM 471 NE ARG A 51 -1.455 8.092 -2.093 1.00 0.00 N ATOM 472 CZ ARG A 51 -2.565 8.604 -1.527 1.00 0.00 C ATOM 473 NH1 ARG A 51 -2.531 9.125 -0.320 1.00 0.00 N ATOM 474 NH2 ARG A 51 -3.696 8.546 -2.206 1.00 0.00 N ATOM 0 H ARG A 51 1.382 3.449 -2.702 1.00 0.00 H new ATOM 0 HA ARG A 51 1.580 5.771 -4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.243 5.802 -2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.815 5.472 -1.572 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.893 7.647 -1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.962 7.977 -3.272 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.194 7.566 -0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.145 9.123 -1.255 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.545 7.673 -3.019 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.655 9.146 0.202 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.381 9.509 0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.713 8.122 -3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.553 8.925 -1.803 1.00 0.00 H new ATOM 488 N ILE A 52 3.905 6.384 -4.000 1.00 0.00 N ATOM 489 CA ILE A 52 5.252 6.866 -3.723 1.00 0.00 C ATOM 490 C ILE A 52 5.222 8.239 -3.063 1.00 0.00 C ATOM 491 O ILE A 52 4.910 9.241 -3.706 1.00 0.00 O ATOM 492 CB ILE A 52 6.100 6.943 -5.007 1.00 0.00 C ATOM 493 CG1 ILE A 52 6.208 5.562 -5.658 1.00 0.00 C ATOM 494 CG2 ILE A 52 7.481 7.500 -4.700 1.00 0.00 C ATOM 495 CD1 ILE A 52 6.842 5.582 -7.030 1.00 0.00 C ATOM 0 H ILE A 52 3.566 6.596 -4.938 1.00 0.00 H new ATOM 0 HA ILE A 52 5.707 6.149 -3.040 1.00 0.00 H new ATOM 0 HB ILE A 52 5.607 7.617 -5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.791 4.909 -5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.211 5.128 -5.735 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.067 7.547 -5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.384 8.501 -4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.984 6.852 -3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.884 4.567 -7.426 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.248 6.208 -7.696 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.852 5.985 -6.958 1.00 0.00 H new ATOM 507 N ILE A 53 5.548 8.279 -1.776 1.00 0.00 N ATOM 508 CA ILE A 53 5.525 9.523 -1.017 1.00 0.00 C ATOM 509 C ILE A 53 6.888 10.203 -1.035 1.00 0.00 C ATOM 510 O ILE A 53 7.897 9.602 -0.667 1.00 0.00 O ATOM 511 CB ILE A 53 5.097 9.288 0.444 1.00 0.00 C ATOM 512 CG1 ILE A 53 3.690 8.689 0.498 1.00 0.00 C ATOM 513 CG2 ILE A 53 5.158 10.586 1.231 1.00 0.00 C ATOM 514 CD1 ILE A 53 3.290 8.194 1.869 1.00 0.00 C ATOM 0 H ILE A 53 5.832 7.462 -1.236 1.00 0.00 H new ATOM 0 HA ILE A 53 4.793 10.171 -1.498 1.00 0.00 H new ATOM 0 HB ILE A 53 5.789 8.580 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.972 9.441 0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.630 7.861 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.852 10.402 2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.177 10.972 1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.488 11.317 0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.281 7.784 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.984 7.418 2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.316 9.022 2.577 1.00 0.00 H new ATOM 526 N TYR A 54 6.910 11.461 -1.464 1.00 0.00 N ATOM 527 CA TYR A 54 8.163 12.166 -1.706 1.00 0.00 C ATOM 528 C TYR A 54 8.509 13.088 -0.545 1.00 0.00 C ATOM 529 O TYR A 54 7.747 13.996 -0.212 1.00 0.00 O ATOM 530 CB TYR A 54 8.084 12.967 -3.008 1.00 0.00 C ATOM 531 CG TYR A 54 7.912 12.113 -4.243 1.00 0.00 C ATOM 532 CD1 TYR A 54 8.989 11.438 -4.797 1.00 0.00 C ATOM 533 CD2 TYR A 54 6.672 11.985 -4.854 1.00 0.00 C ATOM 534 CE1 TYR A 54 8.838 10.656 -5.926 1.00 0.00 C ATOM 535 CE2 TYR A 54 6.510 11.206 -5.984 1.00 0.00 C ATOM 536 CZ TYR A 54 7.596 10.543 -6.517 1.00 0.00 C ATOM 537 OH TYR A 54 7.441 9.767 -7.643 1.00 0.00 O ATOM 0 H TYR A 54 6.073 12.013 -1.651 1.00 0.00 H new ATOM 0 HA TYR A 54 8.953 11.420 -1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.250 13.666 -2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.991 13.562 -3.113 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.963 11.525 -4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 54 5.820 12.503 -4.439 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.687 10.136 -6.344 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.538 11.117 -6.447 1.00 0.00 H new ATOM 0 HH TYR A 54 8.090 9.033 -7.627 1.00 0.00 H new ATOM 547 N ASP A 55 9.663 12.851 0.069 1.00 0.00 N ATOM 548 CA ASP A 55 10.148 13.706 1.146 1.00 0.00 C ATOM 549 C ASP A 55 11.197 14.688 0.638 1.00 0.00 C ATOM 550 O ASP A 55 12.342 14.313 0.383 1.00 0.00 O ATOM 551 CB ASP A 55 10.727 12.862 2.283 1.00 0.00 C ATOM 552 CG ASP A 55 11.229 13.668 3.473 1.00 0.00 C ATOM 553 OD1 ASP A 55 11.223 14.874 3.395 1.00 0.00 O ATOM 554 OD2 ASP A 55 11.465 13.084 4.504 1.00 0.00 O ATOM 0 H ASP A 55 10.281 12.073 -0.161 1.00 0.00 H new ATOM 0 HA ASP A 55 9.300 14.276 1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.962 12.166 2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.550 12.264 1.892 1.00 0.00 H new ATOM 559 N ARG A 56 10.799 15.947 0.493 1.00 0.00 N ATOM 560 CA ARG A 56 11.686 16.975 -0.042 1.00 0.00 C ATOM 561 C ARG A 56 12.577 17.556 1.049 1.00 0.00 C ATOM 562 O ARG A 56 12.098 18.231 1.960 1.00 0.00 O ATOM 563 CB ARG A 56 10.922 18.065 -0.778 1.00 0.00 C ATOM 564 CG ARG A 56 11.792 19.133 -1.421 1.00 0.00 C ATOM 565 CD ARG A 56 11.036 20.190 -2.138 1.00 0.00 C ATOM 566 NE ARG A 56 11.837 21.332 -2.549 1.00 0.00 N ATOM 567 CZ ARG A 56 11.342 22.555 -2.824 1.00 0.00 C ATOM 568 NH1 ARG A 56 10.051 22.791 -2.771 1.00 0.00 N ATOM 569 NH2 ARG A 56 12.191 23.506 -3.173 1.00 0.00 N ATOM 0 H ARG A 56 9.867 16.281 0.739 1.00 0.00 H new ATOM 0 HA ARG A 56 12.331 16.492 -0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.310 17.601 -1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.239 18.546 -0.078 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.403 19.601 -0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.476 18.654 -2.121 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.572 19.751 -3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.229 20.541 -1.495 1.00 0.00 H new ATOM 0 HE ARG A 56 12.844 21.198 -2.635 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.406 22.043 -2.519 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.694 23.723 -2.982 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.189 23.304 -3.228 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.848 24.442 -3.388 1.00 0.00 H new ATOM 583 N LYS A 57 13.875 17.290 0.950 1.00 0.00 N ATOM 584 CA LYS A 57 14.834 17.786 1.928 1.00 0.00 C ATOM 585 C LYS A 57 14.735 19.298 2.079 1.00 0.00 C ATOM 586 O LYS A 57 14.830 19.829 3.186 1.00 0.00 O ATOM 587 CB LYS A 57 16.257 17.390 1.530 1.00 0.00 C ATOM 588 CG LYS A 57 17.338 17.888 2.481 1.00 0.00 C ATOM 589 CD LYS A 57 18.714 17.393 2.062 1.00 0.00 C ATOM 590 CE LYS A 57 19.801 17.939 2.977 1.00 0.00 C ATOM 591 NZ LYS A 57 21.152 17.445 2.592 1.00 0.00 N ATOM 0 H LYS A 57 14.287 16.733 0.201 1.00 0.00 H new ATOM 0 HA LYS A 57 14.595 17.331 2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 57 16.315 16.303 1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 57 16.463 17.776 0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 57 17.332 18.978 2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 57 17.120 17.548 3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 57 18.732 16.303 2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 57 18.915 17.696 1.034 1.00 0.00 H new ATOM 0 HE2 LYS A 57 19.790 19.028 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 57 19.588 17.649 4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 21.864 17.840 3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 21.171 16.407 2.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 21.366 17.743 1.619 1.00 0.00 H new