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 -116:sc= 0.623 USER MOD Set 1.2: A 44 SER OG : rot 140:sc= 0.594 USER MOD Set 1.3: A 54 TYR OH : rot 171:sc= 1.24 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) 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= -0.157 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 -0.318 -0.919 -0.406 1.00 0.00 N ATOM 2 CA PRO A 18 1.112 -0.802 -0.146 1.00 0.00 C ATOM 3 C PRO A 18 1.591 0.631 -0.338 1.00 0.00 C ATOM 4 O PRO A 18 1.203 1.302 -1.294 1.00 0.00 O ATOM 5 CB PRO A 18 1.755 -1.765 -1.148 1.00 0.00 C ATOM 6 CG PRO A 18 0.804 -1.796 -2.296 1.00 0.00 C ATOM 7 CD PRO A 18 -0.564 -1.664 -1.684 1.00 0.00 C ATOM 0 HA PRO A 18 1.376 -1.050 0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.740 -1.417 -1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.889 -2.757 -0.716 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.003 -0.982 -2.993 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.895 -2.726 -2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.244 -1.119 -2.339 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.014 -2.639 -1.498 1.00 0.00 H new ATOM 17 N THR A 19 2.437 1.095 0.576 1.00 0.00 N ATOM 18 CA THR A 19 2.980 2.445 0.502 1.00 0.00 C ATOM 19 C THR A 19 4.495 2.440 0.666 1.00 0.00 C ATOM 20 O THR A 19 5.064 1.505 1.231 1.00 0.00 O ATOM 21 CB THR A 19 2.362 3.363 1.572 1.00 0.00 C ATOM 22 OG1 THR A 19 2.723 2.890 2.877 1.00 0.00 O ATOM 23 CG2 THR A 19 0.846 3.384 1.447 1.00 0.00 C ATOM 0 H THR A 19 2.761 0.554 1.378 1.00 0.00 H new ATOM 0 HA THR A 19 2.726 2.831 -0.485 1.00 0.00 H new ATOM 0 HB THR A 19 2.742 4.374 1.425 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.331 3.476 3.557 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.427 4.038 2.212 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.567 3.754 0.460 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.456 2.375 1.579 1.00 0.00 H new ATOM 31 N ARG A 20 5.143 3.488 0.169 1.00 0.00 N ATOM 32 CA ARG A 20 6.577 3.663 0.362 1.00 0.00 C ATOM 33 C ARG A 20 6.954 5.139 0.380 1.00 0.00 C ATOM 34 O ARG A 20 6.162 5.996 -0.015 1.00 0.00 O ATOM 35 CB ARG A 20 7.393 2.893 -0.666 1.00 0.00 C ATOM 36 CG ARG A 20 7.109 3.259 -2.114 1.00 0.00 C ATOM 37 CD ARG A 20 7.923 2.511 -3.106 1.00 0.00 C ATOM 38 NE ARG A 20 9.307 2.944 -3.199 1.00 0.00 N ATOM 39 CZ ARG A 20 10.243 2.356 -3.970 1.00 0.00 C ATOM 40 NH1 ARG A 20 9.958 1.292 -4.688 1.00 0.00 N ATOM 41 NH2 ARG A 20 11.463 2.866 -3.970 1.00 0.00 N ATOM 0 H ARG A 20 4.697 4.230 -0.371 1.00 0.00 H new ATOM 0 HA ARG A 20 6.822 3.243 1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.452 3.058 -0.466 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.206 1.827 -0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.053 3.082 -2.321 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.285 4.326 -2.248 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.903 1.452 -2.849 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.458 2.609 -4.087 1.00 0.00 H new ATOM 0 HE ARG A 20 9.590 3.750 -2.641 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.017 0.900 -4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.678 0.859 -5.266 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.674 3.683 -3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.193 2.443 -4.543 1.00 0.00 H new ATOM 55 N THR A 21 8.166 5.429 0.840 1.00 0.00 N ATOM 56 CA THR A 21 8.640 6.805 0.933 1.00 0.00 C ATOM 57 C THR A 21 9.958 6.985 0.190 1.00 0.00 C ATOM 58 O THR A 21 10.901 6.218 0.385 1.00 0.00 O ATOM 59 CB THR A 21 8.825 7.241 2.398 1.00 0.00 C ATOM 60 OG1 THR A 21 7.578 7.129 3.094 1.00 0.00 O ATOM 61 CG2 THR A 21 9.313 8.680 2.470 1.00 0.00 C ATOM 0 H THR A 21 8.838 4.729 1.154 1.00 0.00 H new ATOM 0 HA THR A 21 7.877 7.432 0.471 1.00 0.00 H new ATOM 0 HB THR A 21 9.568 6.592 2.862 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.698 7.405 4.027 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.438 8.970 3.513 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.268 8.767 1.952 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.583 9.336 1.996 1.00 0.00 H new ATOM 69 N VAL A 22 10.017 8.002 -0.662 1.00 0.00 N ATOM 70 CA VAL A 22 11.239 8.321 -1.390 1.00 0.00 C ATOM 71 C VAL A 22 11.716 9.734 -1.075 1.00 0.00 C ATOM 72 O VAL A 22 10.947 10.692 -1.160 1.00 0.00 O ATOM 73 CB VAL A 22 11.043 8.185 -2.912 1.00 0.00 C ATOM 74 CG1 VAL A 22 12.311 8.585 -3.651 1.00 0.00 C ATOM 75 CG2 VAL A 22 10.645 6.762 -3.272 1.00 0.00 C ATOM 0 H VAL A 22 9.232 8.620 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 22 11.993 7.605 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 22 10.240 8.856 -3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.154 8.483 -4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.557 9.621 -3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.132 7.938 -3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.511 6.684 -4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.427 6.074 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.711 6.507 -2.771 1.00 0.00 H new ATOM 85 N ALA A 23 12.987 9.856 -0.710 1.00 0.00 N ATOM 86 CA ALA A 23 13.580 11.156 -0.419 1.00 0.00 C ATOM 87 C ALA A 23 14.038 11.849 -1.696 1.00 0.00 C ATOM 88 O ALA A 23 14.606 11.218 -2.588 1.00 0.00 O ATOM 89 CB ALA A 23 14.740 11.005 0.553 1.00 0.00 C ATOM 0 H ALA A 23 13.628 9.069 -0.608 1.00 0.00 H new ATOM 0 HA ALA A 23 12.816 11.780 0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.171 11.984 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.381 10.563 1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.500 10.359 0.114 1.00 0.00 H new ATOM 95 N ILE A 24 13.790 13.153 -1.778 1.00 0.00 N ATOM 96 CA ILE A 24 14.164 13.931 -2.952 1.00 0.00 C ATOM 97 C ILE A 24 14.845 15.236 -2.555 1.00 0.00 C ATOM 98 O ILE A 24 14.802 15.639 -1.392 1.00 0.00 O ATOM 99 CB ILE A 24 12.942 14.249 -3.833 1.00 0.00 C ATOM 100 CG1 ILE A 24 11.935 15.105 -3.061 1.00 0.00 C ATOM 101 CG2 ILE A 24 12.289 12.963 -4.319 1.00 0.00 C ATOM 102 CD1 ILE A 24 10.786 15.605 -3.904 1.00 0.00 C ATOM 0 H ILE A 24 13.331 13.692 -1.044 1.00 0.00 H new ATOM 0 HA ILE A 24 14.862 13.319 -3.523 1.00 0.00 H new ATOM 0 HB ILE A 24 13.279 14.814 -4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.537 14.521 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.455 15.960 -2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.427 13.205 -4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.008 12.388 -4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.964 12.373 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.116 16.203 -3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.172 16.217 -4.719 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.240 14.756 -4.315 1.00 0.00 H new ATOM 114 N SER A 25 15.471 15.890 -3.526 1.00 0.00 N ATOM 115 CA SER A 25 16.129 17.169 -3.287 1.00 0.00 C ATOM 116 C SER A 25 15.428 18.297 -4.034 1.00 0.00 C ATOM 117 O SER A 25 15.532 19.464 -3.656 1.00 0.00 O ATOM 118 CB SER A 25 17.586 17.091 -3.697 1.00 0.00 C ATOM 119 OG SER A 25 17.736 16.811 -5.062 1.00 0.00 O ATOM 0 H SER A 25 15.537 15.555 -4.487 1.00 0.00 H new ATOM 0 HA SER A 25 16.071 17.386 -2.220 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.078 18.035 -3.465 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.086 16.319 -3.112 1.00 0.00 H new ATOM 0 HG SER A 25 18.689 16.771 -5.285 1.00 0.00 H new ATOM 174 N LEU A 30 10.508 16.312 -10.670 1.00 0.00 N ATOM 175 CA LEU A 30 9.560 15.207 -10.740 1.00 0.00 C ATOM 176 C LEU A 30 8.462 15.487 -11.758 1.00 0.00 C ATOM 177 O LEU A 30 8.148 16.642 -12.044 1.00 0.00 O ATOM 178 CB LEU A 30 8.951 14.944 -9.357 1.00 0.00 C ATOM 179 CG LEU A 30 9.948 14.506 -8.276 1.00 0.00 C ATOM 180 CD1 LEU A 30 9.240 14.375 -6.935 1.00 0.00 C ATOM 181 CD2 LEU A 30 10.587 13.186 -8.680 1.00 0.00 C ATOM 0 HA LEU A 30 10.100 14.317 -11.065 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.450 15.851 -9.020 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.185 14.175 -9.455 1.00 0.00 H new ATOM 0 HG LEU A 30 10.730 15.258 -8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.956 14.064 -6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.809 15.336 -6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.447 13.631 -7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.295 12.875 -7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.814 12.426 -8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.111 13.310 -9.628 1.00 0.00 H new ATOM 193 N PRO A 31 7.882 14.423 -12.303 1.00 0.00 N ATOM 194 CA PRO A 31 6.749 14.548 -13.210 1.00 0.00 C ATOM 195 C PRO A 31 5.662 15.435 -12.615 1.00 0.00 C ATOM 196 O PRO A 31 5.439 15.432 -11.405 1.00 0.00 O ATOM 197 CB PRO A 31 6.271 13.108 -13.415 1.00 0.00 C ATOM 198 CG PRO A 31 7.484 12.276 -13.174 1.00 0.00 C ATOM 199 CD PRO A 31 8.249 12.990 -12.091 1.00 0.00 C ATOM 0 HA PRO A 31 7.015 15.025 -14.153 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.470 12.853 -12.721 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.880 12.959 -14.422 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.213 11.267 -12.864 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.082 12.181 -14.080 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.961 12.643 -11.099 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.323 12.831 -12.185 1.00 0.00 H new ATOM 207 N HIS A 32 4.986 16.192 -13.473 1.00 0.00 N ATOM 208 CA HIS A 32 4.057 17.220 -13.021 1.00 0.00 C ATOM 209 C HIS A 32 2.645 16.663 -12.883 1.00 0.00 C ATOM 210 O HIS A 32 1.721 17.378 -12.494 1.00 0.00 O ATOM 211 CB HIS A 32 4.057 18.412 -13.984 1.00 0.00 C ATOM 212 CG HIS A 32 5.368 19.132 -14.049 1.00 0.00 C ATOM 213 ND1 HIS A 32 5.917 19.776 -12.960 1.00 0.00 N ATOM 214 CD2 HIS A 32 6.237 19.311 -15.071 1.00 0.00 C ATOM 215 CE1 HIS A 32 7.070 20.319 -13.311 1.00 0.00 C ATOM 216 NE2 HIS A 32 7.286 20.052 -14.586 1.00 0.00 N ATOM 0 H HIS A 32 5.065 16.112 -14.487 1.00 0.00 H new ATOM 0 HA HIS A 32 4.391 17.559 -12.040 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.795 18.061 -14.982 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.281 19.114 -13.679 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.126 18.940 -16.079 1.00 0.00 H new ATOM 0 HE1 HIS A 32 7.724 20.885 -12.665 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.101 20.348 -15.124 1.00 0.00 H new ATOM 224 N ASP A 33 2.485 15.384 -13.202 1.00 0.00 N ATOM 225 CA ASP A 33 1.225 14.688 -12.970 1.00 0.00 C ATOM 226 C ASP A 33 1.147 14.150 -11.547 1.00 0.00 C ATOM 227 O ASP A 33 0.193 13.460 -11.185 1.00 0.00 O ATOM 228 CB ASP A 33 1.050 13.546 -13.974 1.00 0.00 C ATOM 229 CG ASP A 33 2.081 12.433 -13.847 1.00 0.00 C ATOM 230 OD1 ASP A 33 2.947 12.544 -13.013 1.00 0.00 O ATOM 231 OD2 ASP A 33 1.905 11.414 -14.471 1.00 0.00 O ATOM 0 H ASP A 33 3.213 14.807 -13.623 1.00 0.00 H new ATOM 0 HA ASP A 33 0.417 15.407 -13.108 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.055 13.119 -13.850 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.098 13.955 -14.983 1.00 0.00 H new ATOM 236 N TYR A 34 2.155 14.470 -10.742 1.00 0.00 N ATOM 237 CA TYR A 34 2.129 14.154 -9.319 1.00 0.00 C ATOM 238 C TYR A 34 1.107 15.012 -8.585 1.00 0.00 C ATOM 239 O TYR A 34 0.698 16.065 -9.075 1.00 0.00 O ATOM 240 CB TYR A 34 3.516 14.347 -8.703 1.00 0.00 C ATOM 241 CG TYR A 34 4.500 13.252 -9.051 1.00 0.00 C ATOM 242 CD1 TYR A 34 4.209 12.321 -10.038 1.00 0.00 C ATOM 243 CD2 TYR A 34 5.717 13.154 -8.394 1.00 0.00 C ATOM 244 CE1 TYR A 34 5.104 11.319 -10.360 1.00 0.00 C ATOM 245 CE2 TYR A 34 6.619 12.156 -8.707 1.00 0.00 C ATOM 246 CZ TYR A 34 6.309 11.240 -9.692 1.00 0.00 C ATOM 247 OH TYR A 34 7.204 10.245 -10.010 1.00 0.00 O ATOM 0 H TYR A 34 3.001 14.949 -11.052 1.00 0.00 H new ATOM 0 HA TYR A 34 1.837 13.109 -9.214 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.920 15.304 -9.035 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.417 14.401 -7.619 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.267 12.381 -10.563 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.964 13.870 -7.624 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.862 10.602 -11.130 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.562 12.093 -8.184 1.00 0.00 H new ATOM 0 HH TYR A 34 7.329 9.658 -9.235 1.00 0.00 H new ATOM 257 N CYS A 35 0.697 14.556 -7.405 1.00 0.00 N ATOM 258 CA CYS A 35 -0.215 15.320 -6.563 1.00 0.00 C ATOM 259 C CYS A 35 0.496 15.865 -5.332 1.00 0.00 C ATOM 260 O CYS A 35 1.516 15.325 -4.903 1.00 0.00 O ATOM 261 CB CYS A 35 -1.259 14.276 -6.164 1.00 0.00 C ATOM 262 SG CYS A 35 -2.171 13.559 -7.551 1.00 0.00 S ATOM 0 H CYS A 35 0.983 13.660 -7.011 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.635 16.190 -7.067 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.762 13.474 -5.619 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.970 14.735 -5.477 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.026 12.687 -7.104 1.00 0.00 H new ATOM 268 N THR A 36 -0.046 16.938 -4.768 1.00 0.00 N ATOM 269 CA THR A 36 0.575 17.603 -3.628 1.00 0.00 C ATOM 270 C THR A 36 -0.449 17.914 -2.546 1.00 0.00 C ATOM 271 O THR A 36 -1.537 18.415 -2.832 1.00 0.00 O ATOM 272 CB THR A 36 1.275 18.909 -4.049 1.00 0.00 C ATOM 273 OG1 THR A 36 2.256 18.626 -5.056 1.00 0.00 O ATOM 274 CG2 THR A 36 1.957 19.557 -2.854 1.00 0.00 C ATOM 0 H THR A 36 -0.916 17.367 -5.082 1.00 0.00 H new ATOM 0 HA THR A 36 1.320 16.914 -3.230 1.00 0.00 H new ATOM 0 HB THR A 36 0.525 19.594 -4.444 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.699 19.458 -5.324 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.446 20.478 -3.170 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.214 19.784 -2.090 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.701 18.873 -2.445 1.00 0.00 H new ATOM 299 N PRO A 38 -1.786 19.763 1.122 1.00 0.00 N ATOM 300 CA PRO A 38 -1.785 21.132 1.624 1.00 0.00 C ATOM 301 C PRO A 38 -0.486 21.450 2.353 1.00 0.00 C ATOM 302 O PRO A 38 -0.037 22.596 2.371 1.00 0.00 O ATOM 303 CB PRO A 38 -2.998 21.190 2.558 1.00 0.00 C ATOM 304 CG PRO A 38 -3.932 20.160 2.017 1.00 0.00 C ATOM 305 CD PRO A 38 -3.051 19.045 1.520 1.00 0.00 C ATOM 0 HA PRO A 38 -1.850 21.873 0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.717 20.970 3.588 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.454 22.180 2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.616 19.806 2.788 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.543 20.567 1.211 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.866 18.301 2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.500 18.521 0.676 1.00 0.00 H new ATOM 313 N GLY A 39 0.115 20.428 2.954 1.00 0.00 N ATOM 314 CA GLY A 39 1.361 20.598 3.691 1.00 0.00 C ATOM 315 C GLY A 39 2.517 20.919 2.752 1.00 0.00 C ATOM 316 O GLY A 39 3.506 21.530 3.156 1.00 0.00 O ATOM 0 H GLY A 39 -0.242 19.472 2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.248 21.400 4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.584 19.688 4.249 1.00 0.00 H new ATOM 320 N GLY A 40 2.387 20.502 1.497 1.00 0.00 N ATOM 321 CA GLY A 40 3.386 20.808 0.481 1.00 0.00 C ATOM 322 C GLY A 40 4.270 19.601 0.197 1.00 0.00 C ATOM 323 O GLY A 40 5.453 19.744 -0.115 1.00 0.00 O ATOM 0 H GLY A 40 1.598 19.950 1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.890 21.123 -0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.002 21.643 0.813 1.00 0.00 H new ATOM 327 N THR A 41 3.692 18.409 0.309 1.00 0.00 N ATOM 328 CA THR A 41 4.418 17.176 0.035 1.00 0.00 C ATOM 329 C THR A 41 3.860 16.469 -1.193 1.00 0.00 C ATOM 330 O THR A 41 2.651 16.261 -1.306 1.00 0.00 O ATOM 331 CB THR A 41 4.368 16.212 1.235 1.00 0.00 C ATOM 332 OG1 THR A 41 4.940 16.849 2.386 1.00 0.00 O ATOM 333 CG2 THR A 41 5.141 14.939 0.930 1.00 0.00 C ATOM 0 H THR A 41 2.721 18.272 0.588 1.00 0.00 H new ATOM 0 HA THR A 41 5.454 17.458 -0.151 1.00 0.00 H new ATOM 0 HB THR A 41 3.327 15.954 1.432 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.906 16.236 3.150 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.094 14.270 1.789 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.702 14.446 0.062 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.181 15.187 0.719 1.00 0.00 H new ATOM 341 N LEU A 42 4.746 16.099 -2.111 1.00 0.00 N ATOM 342 CA LEU A 42 4.343 15.421 -3.337 1.00 0.00 C ATOM 343 C LEU A 42 4.102 13.936 -3.092 1.00 0.00 C ATOM 344 O LEU A 42 4.732 13.332 -2.224 1.00 0.00 O ATOM 345 CB LEU A 42 5.404 15.618 -4.426 1.00 0.00 C ATOM 346 CG LEU A 42 5.208 16.851 -5.315 1.00 0.00 C ATOM 347 CD1 LEU A 42 5.570 18.114 -4.544 1.00 0.00 C ATOM 348 CD2 LEU A 42 6.063 16.719 -6.567 1.00 0.00 C ATOM 0 H LEU A 42 5.750 16.258 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 42 3.405 15.862 -3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.382 15.686 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.419 14.732 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 42 4.162 16.921 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.427 18.985 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.930 18.200 -3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.612 18.062 -4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.922 17.597 -7.198 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.113 16.640 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.767 15.826 -7.117 1.00 0.00 H new ATOM 360 N PHE A 43 3.189 13.356 -3.862 1.00 0.00 N ATOM 361 CA PHE A 43 2.966 11.915 -3.831 1.00 0.00 C ATOM 362 C PHE A 43 2.389 11.418 -5.150 1.00 0.00 C ATOM 363 O PHE A 43 1.752 12.176 -5.885 1.00 0.00 O ATOM 364 CB PHE A 43 2.034 11.542 -2.676 1.00 0.00 C ATOM 365 CG PHE A 43 0.643 12.092 -2.818 1.00 0.00 C ATOM 366 CD1 PHE A 43 0.348 13.385 -2.413 1.00 0.00 C ATOM 367 CD2 PHE A 43 -0.372 11.318 -3.358 1.00 0.00 C ATOM 368 CE1 PHE A 43 -0.930 13.892 -2.542 1.00 0.00 C ATOM 369 CE2 PHE A 43 -1.651 11.823 -3.489 1.00 0.00 C ATOM 370 CZ PHE A 43 -1.931 13.109 -3.080 1.00 0.00 C ATOM 0 H PHE A 43 2.591 13.861 -4.516 1.00 0.00 H new ATOM 0 HA PHE A 43 3.931 11.432 -3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.979 10.456 -2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.464 11.904 -1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.127 14.003 -1.992 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.161 10.309 -3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.146 14.901 -2.222 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.432 11.209 -3.912 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.932 13.503 -3.180 1.00 0.00 H new ATOM 380 N SER A 44 2.614 10.143 -5.447 1.00 0.00 N ATOM 381 CA SER A 44 2.083 9.533 -6.660 1.00 0.00 C ATOM 382 C SER A 44 1.691 8.081 -6.420 1.00 0.00 C ATOM 383 O SER A 44 1.887 7.548 -5.329 1.00 0.00 O ATOM 384 CB SER A 44 3.101 9.628 -7.780 1.00 0.00 C ATOM 385 OG SER A 44 4.176 8.749 -7.591 1.00 0.00 O ATOM 0 H SER A 44 3.162 9.511 -4.863 1.00 0.00 H new ATOM 0 HA SER A 44 1.185 10.078 -6.950 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.615 9.407 -8.730 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.475 10.650 -7.843 1.00 0.00 H new ATOM 0 HG SER A 44 4.427 8.350 -8.450 1.00 0.00 H new ATOM 391 N THR A 45 1.139 7.445 -7.448 1.00 0.00 N ATOM 392 CA THR A 45 0.784 6.033 -7.374 1.00 0.00 C ATOM 393 C THR A 45 1.114 5.313 -8.676 1.00 0.00 C ATOM 394 O THR A 45 0.747 5.768 -9.759 1.00 0.00 O ATOM 395 CB THR A 45 -0.712 5.841 -7.059 1.00 0.00 C ATOM 396 OG1 THR A 45 -1.036 6.519 -5.838 1.00 0.00 O ATOM 397 CG2 THR A 45 -1.042 4.363 -6.918 1.00 0.00 C ATOM 0 H THR A 45 0.928 7.886 -8.343 1.00 0.00 H new ATOM 0 HA THR A 45 1.374 5.604 -6.564 1.00 0.00 H new ATOM 0 HB THR A 45 -1.297 6.256 -7.879 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.988 6.398 -5.639 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.103 4.247 -6.696 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.808 3.847 -7.849 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.452 3.934 -6.108 1.00 0.00 H new ATOM 422 N PRO A 47 1.291 1.938 -11.393 1.00 0.00 N ATOM 423 CA PRO A 47 0.288 1.047 -11.963 1.00 0.00 C ATOM 424 C PRO A 47 0.072 -0.177 -11.081 1.00 0.00 C ATOM 425 O PRO A 47 -1.020 -0.742 -11.043 1.00 0.00 O ATOM 426 CB PRO A 47 0.855 0.675 -13.336 1.00 0.00 C ATOM 427 CG PRO A 47 1.713 1.835 -13.710 1.00 0.00 C ATOM 428 CD PRO A 47 2.328 2.308 -12.419 1.00 0.00 C ATOM 0 HA PRO A 47 -0.694 1.513 -12.041 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.433 -0.248 -13.290 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.060 0.518 -14.065 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.480 1.542 -14.427 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.125 2.624 -14.178 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.282 1.818 -12.223 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.518 3.381 -12.432 1.00 0.00 H new ATOM 436 N GLY A 48 1.122 -0.582 -10.374 1.00 0.00 N ATOM 437 CA GLY A 48 1.054 -1.747 -9.501 1.00 0.00 C ATOM 438 C GLY A 48 0.088 -1.515 -8.346 1.00 0.00 C ATOM 439 O GLY A 48 -0.478 -2.460 -7.797 1.00 0.00 O ATOM 0 H GLY A 48 2.031 -0.120 -10.389 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.736 -2.617 -10.075 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.047 -1.969 -9.109 1.00 0.00 H new ATOM 443 N GLY A 49 -0.097 -0.250 -7.982 1.00 0.00 N ATOM 444 CA GLY A 49 -1.039 0.114 -6.932 1.00 0.00 C ATOM 445 C GLY A 49 -0.312 0.535 -5.661 1.00 0.00 C ATOM 446 O GLY A 49 -0.912 0.618 -4.589 1.00 0.00 O ATOM 0 H GLY A 49 0.394 0.540 -8.400 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.675 0.929 -7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.693 -0.731 -6.717 1.00 0.00 H new ATOM 450 N THR A 50 0.983 0.800 -5.787 1.00 0.00 N ATOM 451 CA THR A 50 1.790 1.235 -4.653 1.00 0.00 C ATOM 452 C THR A 50 1.878 2.755 -4.589 1.00 0.00 C ATOM 453 O THR A 50 2.189 3.410 -5.584 1.00 0.00 O ATOM 454 CB THR A 50 3.213 0.651 -4.715 1.00 0.00 C ATOM 455 OG1 THR A 50 3.147 -0.781 -4.701 1.00 0.00 O ATOM 456 CG2 THR A 50 4.038 1.128 -3.529 1.00 0.00 C ATOM 0 H THR A 50 1.497 0.721 -6.664 1.00 0.00 H new ATOM 0 HA THR A 50 1.294 0.865 -3.756 1.00 0.00 H new ATOM 0 HB THR A 50 3.688 0.991 -5.635 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.054 -1.151 -4.742 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.041 0.705 -3.590 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.102 2.216 -3.544 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.564 0.805 -2.602 1.00 0.00 H new ATOM 464 N ARG A 51 1.603 3.310 -3.414 1.00 0.00 N ATOM 465 CA ARG A 51 1.668 4.753 -3.215 1.00 0.00 C ATOM 466 C ARG A 51 3.071 5.191 -2.816 1.00 0.00 C ATOM 467 O ARG A 51 3.725 4.544 -1.998 1.00 0.00 O ATOM 468 CB ARG A 51 0.627 5.242 -2.219 1.00 0.00 C ATOM 469 CG ARG A 51 -0.817 5.040 -2.650 1.00 0.00 C ATOM 470 CD ARG A 51 -1.823 5.502 -1.660 1.00 0.00 C ATOM 471 NE ARG A 51 -3.201 5.220 -2.025 1.00 0.00 N ATOM 472 CZ ARG A 51 -4.269 5.484 -1.246 1.00 0.00 C ATOM 473 NH1 ARG A 51 -4.120 5.999 -0.046 1.00 0.00 N ATOM 474 NH2 ARG A 51 -5.470 5.189 -1.712 1.00 0.00 N ATOM 0 H ARG A 51 1.333 2.782 -2.584 1.00 0.00 H new ATOM 0 HA ARG A 51 1.432 5.220 -4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.783 4.728 -1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.791 6.304 -2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.980 5.568 -3.589 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.980 3.980 -2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.611 5.032 -0.700 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.710 6.577 -1.521 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.372 4.792 -2.935 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.186 6.205 0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.938 6.193 0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.570 4.773 -2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.297 5.377 -1.146 1.00 0.00 H new ATOM 488 N ILE A 52 3.529 6.294 -3.399 1.00 0.00 N ATOM 489 CA ILE A 52 4.861 6.814 -3.114 1.00 0.00 C ATOM 490 C ILE A 52 4.792 8.238 -2.576 1.00 0.00 C ATOM 491 O ILE A 52 4.308 9.145 -3.253 1.00 0.00 O ATOM 492 CB ILE A 52 5.756 6.791 -4.365 1.00 0.00 C ATOM 493 CG1 ILE A 52 5.871 5.367 -4.914 1.00 0.00 C ATOM 494 CG2 ILE A 52 7.134 7.353 -4.045 1.00 0.00 C ATOM 495 CD1 ILE A 52 6.590 5.279 -6.241 1.00 0.00 C ATOM 0 H ILE A 52 2.997 6.845 -4.072 1.00 0.00 H new ATOM 0 HA ILE A 52 5.297 6.163 -2.356 1.00 0.00 H new ATOM 0 HB ILE A 52 5.298 7.419 -5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.396 4.748 -4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.871 4.949 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.754 7.329 -4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.036 8.382 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.600 6.751 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.631 4.239 -6.564 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.055 5.869 -6.985 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.603 5.665 -6.132 1.00 0.00 H new ATOM 507 N ILE A 53 5.279 8.428 -1.353 1.00 0.00 N ATOM 508 CA ILE A 53 5.369 9.758 -0.763 1.00 0.00 C ATOM 509 C ILE A 53 6.760 10.350 -0.951 1.00 0.00 C ATOM 510 O ILE A 53 7.762 9.737 -0.584 1.00 0.00 O ATOM 511 CB ILE A 53 5.030 9.733 0.739 1.00 0.00 C ATOM 512 CG1 ILE A 53 3.595 9.248 0.955 1.00 0.00 C ATOM 513 CG2 ILE A 53 5.228 11.112 1.350 1.00 0.00 C ATOM 514 CD1 ILE A 53 3.256 8.968 2.400 1.00 0.00 C ATOM 0 H ILE A 53 5.617 7.677 -0.752 1.00 0.00 H new ATOM 0 HA ILE A 53 4.640 10.382 -1.280 1.00 0.00 H new ATOM 0 HB ILE A 53 5.705 9.037 1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.906 9.999 0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.437 8.341 0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.984 11.078 2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.266 11.419 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.575 11.828 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.223 8.629 2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.920 8.194 2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.381 9.879 2.986 1.00 0.00 H new ATOM 526 N TYR A 54 6.815 11.547 -1.527 1.00 0.00 N ATOM 527 CA TYR A 54 8.084 12.159 -1.901 1.00 0.00 C ATOM 528 C TYR A 54 8.500 13.223 -0.893 1.00 0.00 C ATOM 529 O TYR A 54 7.927 14.313 -0.854 1.00 0.00 O ATOM 530 CB TYR A 54 7.992 12.771 -3.300 1.00 0.00 C ATOM 531 CG TYR A 54 7.750 11.756 -4.397 1.00 0.00 C ATOM 532 CD1 TYR A 54 8.804 11.051 -4.958 1.00 0.00 C ATOM 533 CD2 TYR A 54 6.470 11.509 -4.870 1.00 0.00 C ATOM 534 CE1 TYR A 54 8.590 10.123 -5.959 1.00 0.00 C ATOM 535 CE2 TYR A 54 6.243 10.584 -5.870 1.00 0.00 C ATOM 536 CZ TYR A 54 7.308 9.894 -6.413 1.00 0.00 C ATOM 537 OH TYR A 54 7.089 8.971 -7.411 1.00 0.00 O ATOM 0 H TYR A 54 5.994 12.112 -1.745 1.00 0.00 H new ATOM 0 HA TYR A 54 8.843 11.376 -1.905 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.186 13.505 -3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.916 13.308 -3.513 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.809 11.230 -4.607 1.00 0.00 H new ATOM 0 HD2 TYR A 54 5.636 12.050 -4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.422 9.580 -6.383 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.239 10.402 -6.225 1.00 0.00 H new ATOM 0 HH TYR A 54 6.125 8.829 -7.520 1.00 0.00 H new ATOM 547 N ASP A 55 9.499 12.902 -0.078 1.00 0.00 N ATOM 548 CA ASP A 55 9.928 13.789 0.997 1.00 0.00 C ATOM 549 C ASP A 55 11.119 14.636 0.569 1.00 0.00 C ATOM 550 O ASP A 55 12.238 14.135 0.448 1.00 0.00 O ATOM 551 CB ASP A 55 10.278 12.984 2.250 1.00 0.00 C ATOM 552 CG ASP A 55 10.800 13.821 3.410 1.00 0.00 C ATOM 553 OD1 ASP A 55 11.084 14.977 3.202 1.00 0.00 O ATOM 554 OD2 ASP A 55 10.764 13.347 4.520 1.00 0.00 O ATOM 0 H ASP A 55 10.028 12.032 -0.142 1.00 0.00 H new ATOM 0 HA ASP A 55 9.099 14.458 1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.391 12.443 2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.029 12.238 1.990 1.00 0.00 H new ATOM 559 N ARG A 56 10.874 15.921 0.341 1.00 0.00 N ATOM 560 CA ARG A 56 11.927 16.840 -0.078 1.00 0.00 C ATOM 561 C ARG A 56 12.734 17.334 1.115 1.00 0.00 C ATOM 562 O ARG A 56 12.191 17.949 2.032 1.00 0.00 O ATOM 563 CB ARG A 56 11.383 17.998 -0.901 1.00 0.00 C ATOM 564 CG ARG A 56 12.443 18.875 -1.550 1.00 0.00 C ATOM 565 CD ARG A 56 11.902 19.926 -2.449 1.00 0.00 C ATOM 566 NE ARG A 56 12.913 20.677 -3.174 1.00 0.00 N ATOM 567 CZ ARG A 56 12.681 21.822 -3.847 1.00 0.00 C ATOM 568 NH1 ARG A 56 11.470 22.329 -3.921 1.00 0.00 N ATOM 569 NH2 ARG A 56 13.699 22.409 -4.451 1.00 0.00 N ATOM 0 H ARG A 56 9.954 16.351 0.439 1.00 0.00 H new ATOM 0 HA ARG A 56 12.601 16.281 -0.728 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.736 17.598 -1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.760 18.621 -0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.032 19.352 -0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.123 18.241 -2.119 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.228 19.460 -3.168 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.306 20.621 -1.858 1.00 0.00 H new ATOM 0 HE ARG A 56 13.865 20.312 -3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.690 21.855 -3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.311 23.196 -4.434 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.630 21.995 -4.400 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.554 23.276 -4.968 1.00 0.00 H new ATOM 583 N LYS A 57 14.034 17.059 1.097 1.00 0.00 N ATOM 584 CA LYS A 57 14.915 17.452 2.191 1.00 0.00 C ATOM 585 C LYS A 57 15.100 18.964 2.233 1.00 0.00 C ATOM 586 O LYS A 57 15.327 19.541 3.296 1.00 0.00 O ATOM 587 CB LYS A 57 16.272 16.759 2.061 1.00 0.00 C ATOM 588 CG LYS A 57 16.240 15.258 2.321 1.00 0.00 C ATOM 589 CD LYS A 57 17.626 14.644 2.192 1.00 0.00 C ATOM 590 CE LYS A 57 17.599 13.151 2.479 1.00 0.00 C ATOM 591 NZ LYS A 57 18.948 12.536 2.352 1.00 0.00 N ATOM 0 H LYS A 57 14.501 16.565 0.336 1.00 0.00 H new ATOM 0 HA LYS A 57 14.447 17.140 3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 57 16.661 16.933 1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 57 16.971 17.221 2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 57 15.848 15.068 3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 57 15.561 14.779 1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 57 18.010 14.816 1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 57 18.310 15.137 2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 57 17.216 12.982 3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.911 12.661 1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 18.886 11.518 2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 19.303 12.675 1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 19.599 12.985 3.027 1.00 0.00 H new