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 X(o=0,f=-0.34) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.0924 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 44 SER OG : rot 139:sc= 0.9 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : 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 0.234 -0.637 0.388 1.00 0.00 N ATOM 2 CA PRO A 18 1.578 -0.522 -0.166 1.00 0.00 C ATOM 3 C PRO A 18 2.076 0.917 -0.108 1.00 0.00 C ATOM 4 O PRO A 18 1.603 1.777 -0.851 1.00 0.00 O ATOM 5 CB PRO A 18 1.434 -1.025 -1.605 1.00 0.00 C ATOM 6 CG PRO A 18 0.013 -0.742 -1.957 1.00 0.00 C ATOM 7 CD PRO A 18 -0.759 -0.929 -0.679 1.00 0.00 C ATOM 0 HA PRO A 18 2.316 -1.097 0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.120 -0.509 -2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.657 -2.089 -1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.102 0.271 -2.341 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.342 -1.420 -2.733 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.612 -0.253 -0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.150 -1.943 -0.594 1.00 0.00 H new ATOM 17 N THR A 19 3.032 1.172 0.778 1.00 0.00 N ATOM 18 CA THR A 19 3.591 2.509 0.939 1.00 0.00 C ATOM 19 C THR A 19 5.086 2.520 0.647 1.00 0.00 C ATOM 20 O THR A 19 5.830 1.667 1.131 1.00 0.00 O ATOM 21 CB THR A 19 3.352 3.053 2.359 1.00 0.00 C ATOM 22 OG1 THR A 19 1.944 3.112 2.621 1.00 0.00 O ATOM 23 CG2 THR A 19 3.948 4.445 2.505 1.00 0.00 C ATOM 0 H THR A 19 3.437 0.469 1.397 1.00 0.00 H new ATOM 0 HA THR A 19 3.080 3.152 0.222 1.00 0.00 H new ATOM 0 HB THR A 19 3.834 2.385 3.072 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.794 3.457 3.526 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.769 4.813 3.515 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.021 4.403 2.319 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.481 5.118 1.786 1.00 0.00 H new ATOM 31 N ARG A 20 5.521 3.492 -0.148 1.00 0.00 N ATOM 32 CA ARG A 20 6.929 3.618 -0.504 1.00 0.00 C ATOM 33 C ARG A 20 7.463 5.002 -0.159 1.00 0.00 C ATOM 34 O ARG A 20 6.768 6.005 -0.322 1.00 0.00 O ATOM 35 CB ARG A 20 7.186 3.271 -1.963 1.00 0.00 C ATOM 36 CG ARG A 20 8.627 3.435 -2.417 1.00 0.00 C ATOM 37 CD ARG A 20 8.886 2.986 -3.809 1.00 0.00 C ATOM 38 NE ARG A 20 10.260 3.163 -4.253 1.00 0.00 N ATOM 39 CZ ARG A 20 10.735 2.764 -5.448 1.00 0.00 C ATOM 40 NH1 ARG A 20 9.965 2.131 -6.306 1.00 0.00 N ATOM 41 NH2 ARG A 20 12.004 3.003 -5.727 1.00 0.00 N ATOM 0 H ARG A 20 4.918 4.205 -0.558 1.00 0.00 H new ATOM 0 HA ARG A 20 7.476 2.890 0.094 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.882 2.238 -2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.550 3.898 -2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.906 4.485 -2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.274 2.876 -1.741 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.623 1.931 -3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.226 3.533 -4.483 1.00 0.00 H new ATOM 0 HE ARG A 20 10.909 3.622 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.992 1.935 -6.070 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.341 1.836 -7.207 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.595 3.478 -5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.392 2.712 -6.624 1.00 0.00 H new ATOM 55 N THR A 21 8.701 5.050 0.321 1.00 0.00 N ATOM 56 CA THR A 21 9.335 6.313 0.681 1.00 0.00 C ATOM 57 C THR A 21 10.479 6.646 -0.267 1.00 0.00 C ATOM 58 O THR A 21 11.449 5.897 -0.372 1.00 0.00 O ATOM 59 CB THR A 21 9.871 6.284 2.125 1.00 0.00 C ATOM 60 OG1 THR A 21 8.787 6.057 3.035 1.00 0.00 O ATOM 61 CG2 THR A 21 10.550 7.600 2.469 1.00 0.00 C ATOM 0 H THR A 21 9.286 4.228 0.470 1.00 0.00 H new ATOM 0 HA THR A 21 8.567 7.083 0.603 1.00 0.00 H new ATOM 0 HB THR A 21 10.600 5.478 2.210 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.129 6.037 3.953 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.922 7.561 3.493 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.383 7.769 1.786 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.833 8.415 2.375 1.00 0.00 H new ATOM 69 N VAL A 22 10.359 7.776 -0.956 1.00 0.00 N ATOM 70 CA VAL A 22 11.410 8.243 -1.852 1.00 0.00 C ATOM 71 C VAL A 22 11.819 9.672 -1.524 1.00 0.00 C ATOM 72 O VAL A 22 10.970 10.538 -1.309 1.00 0.00 O ATOM 73 CB VAL A 22 10.970 8.170 -3.326 1.00 0.00 C ATOM 74 CG1 VAL A 22 12.052 8.734 -4.234 1.00 0.00 C ATOM 75 CG2 VAL A 22 10.644 6.736 -3.716 1.00 0.00 C ATOM 0 H VAL A 22 9.543 8.386 -0.911 1.00 0.00 H new ATOM 0 HA VAL A 22 12.264 7.582 -1.705 1.00 0.00 H new ATOM 0 HB VAL A 22 10.070 8.773 -3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.724 8.674 -5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.240 9.775 -3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.968 8.157 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.335 6.704 -4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.527 6.112 -3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.836 6.363 -3.087 1.00 0.00 H new ATOM 85 N ALA A 23 13.126 9.915 -1.487 1.00 0.00 N ATOM 86 CA ALA A 23 13.648 11.254 -1.248 1.00 0.00 C ATOM 87 C ALA A 23 13.924 11.980 -2.559 1.00 0.00 C ATOM 88 O ALA A 23 14.498 11.411 -3.486 1.00 0.00 O ATOM 89 CB ALA A 23 14.912 11.187 -0.401 1.00 0.00 C ATOM 0 H ALA A 23 13.842 9.201 -1.620 1.00 0.00 H new ATOM 0 HA ALA A 23 12.890 11.819 -0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.290 12.195 -0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.684 10.719 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.668 10.599 -0.921 1.00 0.00 H new ATOM 95 N ILE A 24 13.510 13.241 -2.629 1.00 0.00 N ATOM 96 CA ILE A 24 13.727 14.053 -3.821 1.00 0.00 C ATOM 97 C ILE A 24 14.343 15.400 -3.465 1.00 0.00 C ATOM 98 O ILE A 24 14.275 15.840 -2.317 1.00 0.00 O ATOM 99 CB ILE A 24 12.415 14.287 -4.592 1.00 0.00 C ATOM 100 CG1 ILE A 24 11.406 15.035 -3.715 1.00 0.00 C ATOM 101 CG2 ILE A 24 11.833 12.964 -5.065 1.00 0.00 C ATOM 102 CD1 ILE A 24 10.173 15.494 -4.459 1.00 0.00 C ATOM 0 H ILE A 24 13.022 13.723 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 24 14.417 13.499 -4.457 1.00 0.00 H new ATOM 0 HB ILE A 24 12.632 14.900 -5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.103 14.387 -2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.896 15.902 -3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.906 13.148 -5.608 1.00 0.00 H new ATOM 0 HG22 ILE A 24 12.546 12.467 -5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.629 12.328 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.506 16.015 -3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.464 16.169 -5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.658 14.630 -4.878 1.00 0.00 H new ATOM 114 N SER A 25 14.943 16.051 -4.455 1.00 0.00 N ATOM 115 CA SER A 25 15.566 17.353 -4.250 1.00 0.00 C ATOM 116 C SER A 25 14.537 18.473 -4.320 1.00 0.00 C ATOM 117 O SER A 25 14.590 19.427 -3.543 1.00 0.00 O ATOM 118 CB SER A 25 16.660 17.576 -5.276 1.00 0.00 C ATOM 119 OG SER A 25 17.696 16.640 -5.153 1.00 0.00 O ATOM 0 H SER A 25 15.011 15.697 -5.409 1.00 0.00 H new ATOM 0 HA SER A 25 16.007 17.365 -3.253 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.235 17.516 -6.278 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.065 18.582 -5.161 1.00 0.00 H new ATOM 0 HG SER A 25 18.379 16.817 -5.833 1.00 0.00 H new ATOM 174 N LEU A 30 10.913 16.260 -9.708 1.00 0.00 N ATOM 175 CA LEU A 30 10.039 15.096 -9.638 1.00 0.00 C ATOM 176 C LEU A 30 9.195 14.963 -10.899 1.00 0.00 C ATOM 177 O LEU A 30 8.308 15.779 -11.152 1.00 0.00 O ATOM 178 CB LEU A 30 9.137 15.184 -8.400 1.00 0.00 C ATOM 179 CG LEU A 30 8.140 14.029 -8.234 1.00 0.00 C ATOM 180 CD1 LEU A 30 8.888 12.711 -8.090 1.00 0.00 C ATOM 181 CD2 LEU A 30 7.262 14.286 -7.019 1.00 0.00 C ATOM 0 HA LEU A 30 10.666 14.208 -9.558 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.768 15.228 -7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.580 16.120 -8.442 1.00 0.00 H new ATOM 0 HG LEU A 30 7.505 13.966 -9.118 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.172 11.897 -7.973 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.493 12.537 -8.980 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.535 12.754 -7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.554 13.466 -6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.886 14.358 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.716 15.219 -7.156 1.00 0.00 H new ATOM 193 N PRO A 31 9.476 13.932 -11.688 1.00 0.00 N ATOM 194 CA PRO A 31 8.780 13.721 -12.951 1.00 0.00 C ATOM 195 C PRO A 31 7.281 13.552 -12.733 1.00 0.00 C ATOM 196 O PRO A 31 6.850 12.953 -11.749 1.00 0.00 O ATOM 197 CB PRO A 31 9.424 12.456 -13.527 1.00 0.00 C ATOM 198 CG PRO A 31 10.773 12.406 -12.896 1.00 0.00 C ATOM 199 CD PRO A 31 10.582 12.947 -11.503 1.00 0.00 C ATOM 0 HA PRO A 31 8.872 14.569 -13.630 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.840 11.568 -13.286 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.495 12.506 -14.614 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.158 11.387 -12.872 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.491 13.005 -13.455 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.312 12.162 -10.796 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.488 13.420 -11.124 1.00 0.00 H new ATOM 207 N HIS A 32 6.491 14.086 -13.659 1.00 0.00 N ATOM 208 CA HIS A 32 5.060 13.808 -13.697 1.00 0.00 C ATOM 209 C HIS A 32 4.791 12.364 -14.104 1.00 0.00 C ATOM 210 O HIS A 32 5.600 11.740 -14.789 1.00 0.00 O ATOM 211 CB HIS A 32 4.348 14.764 -14.659 1.00 0.00 C ATOM 212 CG HIS A 32 4.133 16.134 -14.095 1.00 0.00 C ATOM 213 ND1 HIS A 32 3.233 16.390 -13.082 1.00 0.00 N ATOM 214 CD2 HIS A 32 4.700 17.324 -14.404 1.00 0.00 C ATOM 215 CE1 HIS A 32 3.257 17.678 -12.791 1.00 0.00 C ATOM 216 NE2 HIS A 32 4.138 18.266 -13.578 1.00 0.00 N ATOM 0 H HIS A 32 6.818 14.714 -14.393 1.00 0.00 H new ATOM 0 HA HIS A 32 4.667 13.961 -12.692 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.932 14.845 -15.575 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.383 14.338 -14.933 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.453 17.499 -15.158 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.658 18.167 -12.037 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.365 19.260 -13.573 1.00 0.00 H new ATOM 224 N ASP A 33 3.647 11.839 -13.676 1.00 0.00 N ATOM 225 CA ASP A 33 2.661 12.633 -12.954 1.00 0.00 C ATOM 226 C ASP A 33 2.870 12.533 -11.448 1.00 0.00 C ATOM 227 O ASP A 33 3.258 11.484 -10.934 1.00 0.00 O ATOM 228 CB ASP A 33 1.243 12.189 -13.319 1.00 0.00 C ATOM 229 CG ASP A 33 0.866 12.422 -14.777 1.00 0.00 C ATOM 230 OD1 ASP A 33 1.073 13.512 -15.256 1.00 0.00 O ATOM 231 OD2 ASP A 33 0.525 11.472 -15.439 1.00 0.00 O ATOM 0 H ASP A 33 3.380 10.865 -13.818 1.00 0.00 H new ATOM 0 HA ASP A 33 2.792 13.674 -13.248 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.139 11.127 -13.095 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.534 12.720 -12.684 1.00 0.00 H new ATOM 236 N TYR A 34 2.607 13.629 -10.746 1.00 0.00 N ATOM 237 CA TYR A 34 2.630 13.629 -9.288 1.00 0.00 C ATOM 238 C TYR A 34 1.672 14.670 -8.722 1.00 0.00 C ATOM 239 O TYR A 34 1.209 15.557 -9.439 1.00 0.00 O ATOM 240 CB TYR A 34 4.048 13.887 -8.774 1.00 0.00 C ATOM 241 CG TYR A 34 4.547 15.292 -9.029 1.00 0.00 C ATOM 242 CD1 TYR A 34 4.321 16.306 -8.110 1.00 0.00 C ATOM 243 CD2 TYR A 34 5.243 15.600 -10.189 1.00 0.00 C ATOM 244 CE1 TYR A 34 4.773 17.592 -8.338 1.00 0.00 C ATOM 245 CE2 TYR A 34 5.701 16.881 -10.427 1.00 0.00 C ATOM 246 CZ TYR A 34 5.464 17.875 -9.499 1.00 0.00 C ATOM 247 OH TYR A 34 5.919 19.152 -9.732 1.00 0.00 O ATOM 0 H TYR A 34 2.375 14.530 -11.163 1.00 0.00 H new ATOM 0 HA TYR A 34 2.304 12.645 -8.950 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.077 13.691 -7.702 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.729 13.179 -9.246 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.782 16.087 -7.200 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.430 14.825 -10.918 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.587 18.370 -7.613 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.242 17.104 -11.335 1.00 0.00 H new ATOM 0 HH TYR A 34 6.386 19.181 -10.593 1.00 0.00 H new ATOM 257 N CYS A 35 1.378 14.556 -7.431 1.00 0.00 N ATOM 258 CA CYS A 35 0.493 15.501 -6.761 1.00 0.00 C ATOM 259 C CYS A 35 1.122 16.028 -5.477 1.00 0.00 C ATOM 260 O CYS A 35 2.160 15.538 -5.036 1.00 0.00 O ATOM 261 CB CYS A 35 -0.736 14.648 -6.448 1.00 0.00 C ATOM 262 SG CYS A 35 -1.538 13.927 -7.899 1.00 0.00 S ATOM 0 H CYS A 35 1.740 13.818 -6.828 1.00 0.00 H new ATOM 0 HA CYS A 35 0.272 16.382 -7.363 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.442 13.844 -5.774 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.462 15.262 -5.915 1.00 0.00 H new ATOM 0 HG CYS A 35 -2.564 13.223 -7.523 1.00 0.00 H new ATOM 268 N THR A 36 0.485 17.031 -4.881 1.00 0.00 N ATOM 269 CA THR A 36 1.021 17.678 -3.689 1.00 0.00 C ATOM 270 C THR A 36 -0.077 17.949 -2.669 1.00 0.00 C ATOM 271 O THR A 36 -1.236 18.158 -3.030 1.00 0.00 O ATOM 272 CB THR A 36 1.725 19.003 -4.035 1.00 0.00 C ATOM 273 OG1 THR A 36 2.382 19.516 -2.869 1.00 0.00 O ATOM 274 CG2 THR A 36 0.717 20.028 -4.536 1.00 0.00 C ATOM 0 H THR A 36 -0.404 17.413 -5.204 1.00 0.00 H new ATOM 0 HA THR A 36 1.750 16.991 -3.259 1.00 0.00 H new ATOM 0 HB THR A 36 2.457 18.814 -4.820 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.831 20.358 -3.091 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.232 20.958 -4.776 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.223 19.646 -5.430 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.027 20.215 -3.762 1.00 0.00 H new ATOM 299 N PRO A 38 -1.323 20.321 0.864 1.00 0.00 N ATOM 300 CA PRO A 38 -1.229 21.704 1.316 1.00 0.00 C ATOM 301 C PRO A 38 0.068 21.948 2.076 1.00 0.00 C ATOM 302 O PRO A 38 0.619 23.048 2.045 1.00 0.00 O ATOM 303 CB PRO A 38 -2.463 21.890 2.206 1.00 0.00 C ATOM 304 CG PRO A 38 -3.461 20.924 1.665 1.00 0.00 C ATOM 305 CD PRO A 38 -2.661 19.724 1.233 1.00 0.00 C ATOM 0 HA PRO A 38 -1.210 22.418 0.492 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.234 21.681 3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.835 22.913 2.160 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.197 20.654 2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.009 21.353 0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.568 18.991 2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.123 19.215 0.387 1.00 0.00 H new ATOM 313 N GLY A 39 0.551 20.916 2.759 1.00 0.00 N ATOM 314 CA GLY A 39 1.800 21.007 3.504 1.00 0.00 C ATOM 315 C GLY A 39 2.990 21.162 2.567 1.00 0.00 C ATOM 316 O GLY A 39 4.013 21.739 2.937 1.00 0.00 O ATOM 0 H GLY A 39 0.095 20.005 2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.758 21.856 4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.928 20.113 4.114 1.00 0.00 H new ATOM 320 N GLY A 40 2.852 20.644 1.352 1.00 0.00 N ATOM 321 CA GLY A 40 3.877 20.804 0.328 1.00 0.00 C ATOM 322 C GLY A 40 4.504 19.465 -0.038 1.00 0.00 C ATOM 323 O GLY A 40 5.265 19.368 -1.002 1.00 0.00 O ATOM 0 H GLY A 40 2.038 20.108 1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.439 21.258 -0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.650 21.484 0.686 1.00 0.00 H new ATOM 327 N THR A 41 4.180 18.435 0.736 1.00 0.00 N ATOM 328 CA THR A 41 4.728 17.104 0.507 1.00 0.00 C ATOM 329 C THR A 41 4.208 16.510 -0.796 1.00 0.00 C ATOM 330 O THR A 41 3.015 16.584 -1.090 1.00 0.00 O ATOM 331 CB THR A 41 4.390 16.147 1.665 1.00 0.00 C ATOM 332 OG1 THR A 41 4.892 16.685 2.895 1.00 0.00 O ATOM 333 CG2 THR A 41 5.009 14.778 1.425 1.00 0.00 C ATOM 0 H THR A 41 3.540 18.497 1.528 1.00 0.00 H new ATOM 0 HA THR A 41 5.810 17.217 0.445 1.00 0.00 H new ATOM 0 HB THR A 41 3.307 16.039 1.722 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.675 16.076 3.631 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.759 14.115 2.254 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.620 14.360 0.497 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.092 14.876 1.353 1.00 0.00 H new ATOM 341 N LEU A 42 5.109 15.922 -1.575 1.00 0.00 N ATOM 342 CA LEU A 42 4.746 15.332 -2.858 1.00 0.00 C ATOM 343 C LEU A 42 4.362 13.867 -2.702 1.00 0.00 C ATOM 344 O LEU A 42 4.837 13.184 -1.794 1.00 0.00 O ATOM 345 CB LEU A 42 5.904 15.477 -3.854 1.00 0.00 C ATOM 346 CG LEU A 42 6.121 16.894 -4.400 1.00 0.00 C ATOM 347 CD1 LEU A 42 4.780 17.558 -4.678 1.00 0.00 C ATOM 348 CD2 LEU A 42 6.928 17.708 -3.398 1.00 0.00 C ATOM 0 H LEU A 42 6.098 15.841 -1.340 1.00 0.00 H new ATOM 0 HA LEU A 42 3.878 15.867 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.823 15.147 -3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.727 14.804 -4.693 1.00 0.00 H new ATOM 0 HG LEU A 42 6.676 16.841 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.945 18.563 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.229 16.972 -5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.204 17.615 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.082 18.715 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.387 17.763 -2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.894 17.230 -3.235 1.00 0.00 H new ATOM 360 N PHE A 43 3.499 13.388 -3.592 1.00 0.00 N ATOM 361 CA PHE A 43 3.130 11.978 -3.620 1.00 0.00 C ATOM 362 C PHE A 43 2.608 11.573 -4.992 1.00 0.00 C ATOM 363 O PHE A 43 2.110 12.406 -5.749 1.00 0.00 O ATOM 364 CB PHE A 43 2.079 11.679 -2.549 1.00 0.00 C ATOM 365 CG PHE A 43 0.757 12.351 -2.791 1.00 0.00 C ATOM 366 CD1 PHE A 43 0.542 13.659 -2.383 1.00 0.00 C ATOM 367 CD2 PHE A 43 -0.273 11.677 -3.430 1.00 0.00 C ATOM 368 CE1 PHE A 43 -0.673 14.277 -2.604 1.00 0.00 C ATOM 369 CE2 PHE A 43 -1.489 12.294 -3.654 1.00 0.00 C ATOM 370 CZ PHE A 43 -1.690 13.594 -3.241 1.00 0.00 C ATOM 0 H PHE A 43 3.042 13.957 -4.304 1.00 0.00 H new ATOM 0 HA PHE A 43 4.026 11.394 -3.410 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.924 10.601 -2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.463 11.993 -1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.334 14.200 -1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.123 10.658 -3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.828 15.295 -2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.283 11.758 -4.153 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.640 14.077 -3.415 1.00 0.00 H new ATOM 380 N SER A 44 2.725 10.288 -5.308 1.00 0.00 N ATOM 381 CA SER A 44 2.186 9.752 -6.553 1.00 0.00 C ATOM 382 C SER A 44 1.888 8.264 -6.428 1.00 0.00 C ATOM 383 O SER A 44 2.605 7.533 -5.743 1.00 0.00 O ATOM 384 CB SER A 44 3.153 10.005 -7.692 1.00 0.00 C ATOM 385 OG SER A 44 2.647 9.559 -8.920 1.00 0.00 O ATOM 0 H SER A 44 3.189 9.597 -4.718 1.00 0.00 H new ATOM 0 HA SER A 44 1.247 10.264 -6.766 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.368 11.072 -7.755 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.097 9.501 -7.485 1.00 0.00 H new ATOM 0 HG SER A 44 2.852 10.217 -9.617 1.00 0.00 H new ATOM 391 N THR A 45 0.828 7.818 -7.095 1.00 0.00 N ATOM 392 CA THR A 45 0.423 6.419 -7.044 1.00 0.00 C ATOM 393 C THR A 45 0.552 5.758 -8.409 1.00 0.00 C ATOM 394 O THR A 45 0.057 6.275 -9.410 1.00 0.00 O ATOM 395 CB THR A 45 -1.028 6.269 -6.548 1.00 0.00 C ATOM 396 OG1 THR A 45 -1.150 6.844 -5.240 1.00 0.00 O ATOM 397 CG2 THR A 45 -1.424 4.802 -6.492 1.00 0.00 C ATOM 0 H THR A 45 0.234 8.407 -7.678 1.00 0.00 H new ATOM 0 HA THR A 45 1.092 5.924 -6.340 1.00 0.00 H new ATOM 0 HB THR A 45 -1.689 6.786 -7.243 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.074 6.750 -4.926 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.452 4.716 -6.140 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.344 4.365 -7.487 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.760 4.272 -5.809 1.00 0.00 H new ATOM 422 N PRO A 47 0.298 2.479 -11.264 1.00 0.00 N ATOM 423 CA PRO A 47 -0.779 1.611 -11.724 1.00 0.00 C ATOM 424 C PRO A 47 -0.885 0.360 -10.862 1.00 0.00 C ATOM 425 O PRO A 47 -1.966 -0.206 -10.700 1.00 0.00 O ATOM 426 CB PRO A 47 -0.403 1.282 -13.172 1.00 0.00 C ATOM 427 CG PRO A 47 0.406 2.452 -13.620 1.00 0.00 C ATOM 428 CD PRO A 47 1.191 2.880 -12.410 1.00 0.00 C ATOM 0 HA PRO A 47 -1.759 2.083 -11.656 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.169 0.356 -13.233 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.289 1.151 -13.793 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.068 2.180 -14.442 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.234 3.258 -13.979 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.159 2.381 -12.360 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.385 3.953 -12.414 1.00 0.00 H new ATOM 436 N GLY A 48 0.246 -0.069 -10.308 1.00 0.00 N ATOM 437 CA GLY A 48 0.282 -1.256 -9.463 1.00 0.00 C ATOM 438 C GLY A 48 -0.523 -1.050 -8.187 1.00 0.00 C ATOM 439 O GLY A 48 -1.007 -2.009 -7.585 1.00 0.00 O ATOM 0 H GLY A 48 1.149 0.389 -10.430 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.116 -2.109 -10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.315 -1.494 -9.210 1.00 0.00 H new ATOM 443 N GLY A 49 -0.665 0.206 -7.780 1.00 0.00 N ATOM 444 CA GLY A 49 -1.466 0.546 -6.610 1.00 0.00 C ATOM 445 C GLY A 49 -0.594 1.072 -5.478 1.00 0.00 C ATOM 446 O GLY A 49 -1.098 1.575 -4.474 1.00 0.00 O ATOM 0 H GLY A 49 -0.235 1.007 -8.243 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.208 1.298 -6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.013 -0.334 -6.272 1.00 0.00 H new ATOM 450 N THR A 50 0.719 0.952 -5.644 1.00 0.00 N ATOM 451 CA THR A 50 1.665 1.410 -4.634 1.00 0.00 C ATOM 452 C THR A 50 1.635 2.928 -4.499 1.00 0.00 C ATOM 453 O THR A 50 1.711 3.651 -5.493 1.00 0.00 O ATOM 454 CB THR A 50 3.101 0.962 -4.961 1.00 0.00 C ATOM 455 OG1 THR A 50 3.152 -0.468 -5.040 1.00 0.00 O ATOM 456 CG2 THR A 50 4.067 1.442 -3.887 1.00 0.00 C ATOM 0 H THR A 50 1.153 0.540 -6.470 1.00 0.00 H new ATOM 0 HA THR A 50 1.360 0.959 -3.690 1.00 0.00 H new ATOM 0 HB THR A 50 3.392 1.396 -5.918 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.066 -0.752 -5.250 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.077 1.116 -4.134 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.040 2.530 -3.833 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.777 1.024 -2.923 1.00 0.00 H new ATOM 464 N ARG A 51 1.525 3.405 -3.265 1.00 0.00 N ATOM 465 CA ARG A 51 1.520 4.837 -2.994 1.00 0.00 C ATOM 466 C ARG A 51 2.903 5.325 -2.583 1.00 0.00 C ATOM 467 O ARG A 51 3.408 4.964 -1.520 1.00 0.00 O ATOM 468 CB ARG A 51 0.465 5.224 -1.968 1.00 0.00 C ATOM 469 CG ARG A 51 -0.968 4.928 -2.381 1.00 0.00 C ATOM 470 CD ARG A 51 -1.979 5.208 -1.329 1.00 0.00 C ATOM 471 NE ARG A 51 -3.347 4.897 -1.710 1.00 0.00 N ATOM 472 CZ ARG A 51 -4.422 5.083 -0.921 1.00 0.00 C ATOM 473 NH1 ARG A 51 -4.292 5.541 0.305 1.00 0.00 N ATOM 474 NH2 ARG A 51 -5.612 4.768 -1.402 1.00 0.00 N ATOM 0 H ARG A 51 1.438 2.819 -2.434 1.00 0.00 H new ATOM 0 HA ARG A 51 1.252 5.338 -3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.675 4.699 -1.036 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.555 6.290 -1.760 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.208 5.519 -3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.041 3.879 -2.669 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.725 4.636 -0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.921 6.262 -1.059 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.504 4.511 -2.641 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.366 5.761 0.672 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.117 5.676 0.889 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.697 4.395 -2.347 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.445 4.898 -0.828 1.00 0.00 H new ATOM 488 N ILE A 52 3.512 6.147 -3.431 1.00 0.00 N ATOM 489 CA ILE A 52 4.865 6.633 -3.190 1.00 0.00 C ATOM 490 C ILE A 52 4.850 8.040 -2.607 1.00 0.00 C ATOM 491 O ILE A 52 4.395 8.985 -3.253 1.00 0.00 O ATOM 492 CB ILE A 52 5.705 6.631 -4.480 1.00 0.00 C ATOM 493 CG1 ILE A 52 5.760 5.223 -5.078 1.00 0.00 C ATOM 494 CG2 ILE A 52 7.106 7.151 -4.204 1.00 0.00 C ATOM 495 CD1 ILE A 52 6.377 5.169 -6.458 1.00 0.00 C ATOM 0 H ILE A 52 3.089 6.491 -4.293 1.00 0.00 H new ATOM 0 HA ILE A 52 5.319 5.951 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 52 5.231 7.294 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.330 4.577 -4.410 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.749 4.819 -5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.686 7.143 -5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.047 8.170 -3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.592 6.514 -3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.381 4.139 -6.815 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.795 5.788 -7.141 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.400 5.541 -6.414 1.00 0.00 H new ATOM 507 N ILE A 53 5.349 8.174 -1.383 1.00 0.00 N ATOM 508 CA ILE A 53 5.466 9.477 -0.742 1.00 0.00 C ATOM 509 C ILE A 53 6.858 10.064 -0.939 1.00 0.00 C ATOM 510 O ILE A 53 7.863 9.406 -0.674 1.00 0.00 O ATOM 511 CB ILE A 53 5.163 9.395 0.766 1.00 0.00 C ATOM 512 CG1 ILE A 53 3.734 8.899 0.997 1.00 0.00 C ATOM 513 CG2 ILE A 53 5.373 10.750 1.426 1.00 0.00 C ATOM 514 CD1 ILE A 53 3.431 8.554 2.437 1.00 0.00 C ATOM 0 H ILE A 53 5.679 7.394 -0.815 1.00 0.00 H new ATOM 0 HA ILE A 53 4.730 10.127 -1.216 1.00 0.00 H new ATOM 0 HB ILE A 53 5.852 8.683 1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.035 9.666 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.561 8.018 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.154 10.674 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.408 11.065 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.708 11.484 0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.400 8.211 2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.104 7.765 2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.570 9.438 3.060 1.00 0.00 H new ATOM 526 N TYR A 54 6.908 11.308 -1.405 1.00 0.00 N ATOM 527 CA TYR A 54 8.170 11.931 -1.788 1.00 0.00 C ATOM 528 C TYR A 54 8.606 12.970 -0.763 1.00 0.00 C ATOM 529 O TYR A 54 7.967 14.011 -0.610 1.00 0.00 O ATOM 530 CB TYR A 54 8.050 12.576 -3.171 1.00 0.00 C ATOM 531 CG TYR A 54 7.819 11.587 -4.291 1.00 0.00 C ATOM 532 CD1 TYR A 54 8.871 10.853 -4.819 1.00 0.00 C ATOM 533 CD2 TYR A 54 6.552 11.391 -4.820 1.00 0.00 C ATOM 534 CE1 TYR A 54 8.667 9.948 -5.843 1.00 0.00 C ATOM 535 CE2 TYR A 54 6.335 10.489 -5.843 1.00 0.00 C ATOM 536 CZ TYR A 54 7.397 9.769 -6.352 1.00 0.00 C ATOM 537 OH TYR A 54 7.189 8.869 -7.373 1.00 0.00 O ATOM 0 H TYR A 54 6.089 11.904 -1.526 1.00 0.00 H new ATOM 0 HA TYR A 54 8.929 11.150 -1.825 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.228 13.292 -3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.960 13.139 -3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.866 10.991 -4.423 1.00 0.00 H new ATOM 0 HD2 TYR A 54 5.720 11.954 -4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.497 9.384 -6.243 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.341 10.348 -6.242 1.00 0.00 H new ATOM 0 HH TYR A 54 6.239 8.862 -7.615 1.00 0.00 H new ATOM 547 N ASP A 55 9.696 12.681 -0.062 1.00 0.00 N ATOM 548 CA ASP A 55 10.243 13.606 0.924 1.00 0.00 C ATOM 549 C ASP A 55 11.142 14.646 0.265 1.00 0.00 C ATOM 550 O ASP A 55 12.225 14.324 -0.221 1.00 0.00 O ATOM 551 CB ASP A 55 11.020 12.847 2.001 1.00 0.00 C ATOM 552 CG ASP A 55 11.581 13.726 3.110 1.00 0.00 C ATOM 553 OD1 ASP A 55 11.470 14.925 3.004 1.00 0.00 O ATOM 554 OD2 ASP A 55 11.973 13.194 4.122 1.00 0.00 O ATOM 0 H ASP A 55 10.220 11.811 -0.158 1.00 0.00 H new ATOM 0 HA ASP A 55 9.406 14.125 1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.364 12.098 2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.843 12.311 1.528 1.00 0.00 H new ATOM 559 N ARG A 56 10.684 15.893 0.252 1.00 0.00 N ATOM 560 CA ARG A 56 11.405 16.966 -0.422 1.00 0.00 C ATOM 561 C ARG A 56 12.554 17.482 0.435 1.00 0.00 C ATOM 562 O ARG A 56 12.368 17.806 1.609 1.00 0.00 O ATOM 563 CB ARG A 56 10.481 18.095 -0.853 1.00 0.00 C ATOM 564 CG ARG A 56 10.981 18.916 -2.032 1.00 0.00 C ATOM 565 CD ARG A 56 10.042 19.974 -2.484 1.00 0.00 C ATOM 566 NE ARG A 56 9.983 21.139 -1.615 1.00 0.00 N ATOM 567 CZ ARG A 56 9.136 22.175 -1.780 1.00 0.00 C ATOM 568 NH1 ARG A 56 8.304 22.213 -2.796 1.00 0.00 N ATOM 569 NH2 ARG A 56 9.182 23.163 -0.905 1.00 0.00 N ATOM 0 H ARG A 56 9.816 16.186 0.701 1.00 0.00 H new ATOM 0 HA ARG A 56 11.832 16.543 -1.332 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.509 17.672 -1.109 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.325 18.761 -0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.929 19.380 -1.760 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.183 18.245 -2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.332 20.297 -3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.043 19.545 -2.565 1.00 0.00 H new ATOM 0 HE ARG A 56 10.628 21.175 -0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.292 21.451 -3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.670 23.004 -2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.846 23.128 -0.131 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.554 23.961 -1.003 1.00 0.00 H new ATOM 583 N LYS A 57 13.741 17.554 -0.157 1.00 0.00 N ATOM 584 CA LYS A 57 14.899 18.131 0.517 1.00 0.00 C ATOM 585 C LYS A 57 14.567 19.492 1.114 1.00 0.00 C ATOM 586 O LYS A 57 15.000 19.818 2.219 1.00 0.00 O ATOM 587 CB LYS A 57 16.075 18.253 -0.452 1.00 0.00 C ATOM 588 CG LYS A 57 17.326 18.876 0.154 1.00 0.00 C ATOM 589 CD LYS A 57 18.469 18.910 -0.850 1.00 0.00 C ATOM 590 CE LYS A 57 19.704 19.577 -0.263 1.00 0.00 C ATOM 591 NZ LYS A 57 20.839 19.595 -1.226 1.00 0.00 N ATOM 0 H LYS A 57 13.927 17.220 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 57 15.179 17.463 1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 57 16.324 17.261 -0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.764 18.851 -1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 57 17.104 19.889 0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 57 17.628 18.307 1.033 1.00 0.00 H new ATOM 0 HD2 LYS A 57 18.714 17.894 -1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 57 18.154 19.447 -1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 57 19.460 20.598 0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 57 20.005 19.050 0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 21.660 20.058 -0.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 21.089 18.620 -1.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 20.562 20.120 -2.080 1.00 0.00 H new