USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 274 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 22 TYR OH : rot -59:sc= 0.321 USER MOD Set 1.2: A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ 163:sc=-0.00454 (180deg=-0.123) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0183 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.358 K(o=-0.36,f=-2.5) USER MOD Single : A 21 THR OG1 : rot 107:sc= 1.28 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -2.09 K(o=-2.1,f=-3.7) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.415 -1.783 -3.396 1.00 42.03 N ATOM 2 CA LYS A 1 0.225 -1.523 -4.197 1.00 41.54 C ATOM 3 C LYS A 1 0.091 -0.035 -4.505 1.00 0.52 C ATOM 4 O LYS A 1 -0.982 0.549 -4.347 1.00 61.52 O ATOM 5 CB LYS A 1 -1.025 -2.018 -3.467 1.00 10.13 C ATOM 6 CG LYS A 1 -1.228 -1.376 -2.105 1.00 54.44 C ATOM 7 CD LYS A 1 -1.070 -2.387 -0.982 1.00 54.04 C ATOM 8 CE LYS A 1 -0.606 -1.723 0.305 1.00 55.42 C ATOM 9 NZ LYS A 1 -1.745 -1.146 1.073 1.00 64.50 N ATOM 0 H1 LYS A 1 1.341 -2.724 -2.960 1.00 42.03 H new ATOM 0 H2 LYS A 1 2.258 -1.749 -4.005 1.00 42.03 H new ATOM 0 H3 LYS A 1 1.497 -1.062 -2.651 1.00 42.03 H new ATOM 0 HA LYS A 1 0.326 -2.063 -5.138 1.00 41.54 H new ATOM 0 HB2 LYS A 1 -1.900 -1.820 -4.087 1.00 10.13 H new ATOM 0 HB3 LYS A 1 -0.959 -3.099 -3.344 1.00 10.13 H new ATOM 0 HG2 LYS A 1 -0.509 -0.568 -1.972 1.00 54.44 H new ATOM 0 HG3 LYS A 1 -2.221 -0.930 -2.057 1.00 54.44 H new ATOM 0 HD2 LYS A 1 -2.020 -2.892 -0.810 1.00 54.04 H new ATOM 0 HD3 LYS A 1 -0.351 -3.151 -1.278 1.00 54.04 H new ATOM 0 HE2 LYS A 1 -0.084 -2.454 0.923 1.00 55.42 H new ATOM 0 HE3 LYS A 1 0.110 -0.935 0.070 1.00 55.42 H new ATOM 0 HZ1 LYS A 1 -1.388 -0.703 1.943 1.00 64.50 H new ATOM 0 HZ2 LYS A 1 -2.228 -0.431 0.493 1.00 64.50 H new ATOM 0 HZ3 LYS A 1 -2.416 -1.902 1.320 1.00 64.50 H new ATOM 23 N LYS A 2 1.186 0.575 -4.946 1.00 24.15 N ATOM 24 CA LYS A 2 1.191 1.995 -5.278 1.00 63.52 C ATOM 25 C LYS A 2 0.655 2.225 -6.688 1.00 24.14 C ATOM 26 O LYS A 2 0.095 3.280 -6.984 1.00 2.42 O ATOM 27 CB LYS A 2 2.608 2.562 -5.161 1.00 33.03 C ATOM 28 CG LYS A 2 3.288 2.231 -3.844 1.00 23.32 C ATOM 29 CD LYS A 2 4.508 1.348 -4.053 1.00 14.32 C ATOM 30 CE LYS A 2 5.785 2.171 -4.124 1.00 22.42 C ATOM 31 NZ LYS A 2 6.627 1.994 -2.908 1.00 13.11 N ATOM 0 H LYS A 2 2.082 0.108 -5.082 1.00 24.15 H new ATOM 0 HA LYS A 2 0.540 2.511 -4.572 1.00 63.52 H new ATOM 0 HB2 LYS A 2 3.214 2.175 -5.980 1.00 33.03 H new ATOM 0 HB3 LYS A 2 2.568 3.645 -5.278 1.00 33.03 H new ATOM 0 HG2 LYS A 2 3.586 3.153 -3.345 1.00 23.32 H new ATOM 0 HG3 LYS A 2 2.581 1.727 -3.185 1.00 23.32 H new ATOM 0 HD2 LYS A 2 4.582 0.629 -3.237 1.00 14.32 H new ATOM 0 HD3 LYS A 2 4.391 0.776 -4.973 1.00 14.32 H new ATOM 0 HE2 LYS A 2 6.356 1.881 -5.006 1.00 22.42 H new ATOM 0 HE3 LYS A 2 5.532 3.225 -4.240 1.00 22.42 H new ATOM 0 HZ1 LYS A 2 7.488 2.571 -2.995 1.00 13.11 H new ATOM 0 HZ2 LYS A 2 6.092 2.295 -2.068 1.00 13.11 H new ATOM 0 HZ3 LYS A 2 6.890 0.993 -2.811 1.00 13.11 H new ATOM 45 N ARG A 3 0.830 1.231 -7.552 1.00 73.40 N ATOM 46 CA ARG A 3 0.363 1.326 -8.930 1.00 21.40 C ATOM 47 C ARG A 3 1.185 2.346 -9.713 1.00 75.41 C ATOM 48 O ARG A 3 2.033 1.981 -10.527 1.00 62.11 O ATOM 49 CB ARG A 3 -1.117 1.712 -8.964 1.00 43.13 C ATOM 50 CG ARG A 3 -2.015 0.632 -9.545 1.00 41.33 C ATOM 51 CD ARG A 3 -1.659 0.331 -10.993 1.00 13.31 C ATOM 52 NE ARG A 3 -2.842 0.281 -11.848 1.00 32.31 N ATOM 53 CZ ARG A 3 -3.701 -0.733 -11.856 1.00 3.15 C ATOM 54 NH1 ARG A 3 -3.509 -1.774 -11.058 1.00 21.43 N ATOM 55 NH2 ARG A 3 -4.754 -0.706 -12.662 1.00 40.10 N ATOM 0 H ARG A 3 1.292 0.351 -7.323 1.00 73.40 H new ATOM 0 HA ARG A 3 0.487 0.349 -9.398 1.00 21.40 H new ATOM 0 HB2 ARG A 3 -1.447 1.941 -7.951 1.00 43.13 H new ATOM 0 HB3 ARG A 3 -1.233 2.623 -9.551 1.00 43.13 H new ATOM 0 HG2 ARG A 3 -1.924 -0.277 -8.950 1.00 41.33 H new ATOM 0 HG3 ARG A 3 -3.056 0.951 -9.484 1.00 41.33 H new ATOM 0 HD2 ARG A 3 -0.975 1.094 -11.364 1.00 13.31 H new ATOM 0 HD3 ARG A 3 -1.132 -0.622 -11.046 1.00 13.31 H new ATOM 0 HE ARG A 3 -3.019 1.067 -12.473 1.00 32.31 H new ATOM 0 HH11 ARG A 3 -2.701 -1.798 -10.436 1.00 21.43 H new ATOM 0 HH12 ARG A 3 -4.170 -2.551 -11.066 1.00 21.43 H new ATOM 0 HH21 ARG A 3 -4.905 0.094 -13.277 1.00 40.10 H new ATOM 0 HH22 ARG A 3 -5.412 -1.485 -12.667 1.00 40.10 H new ATOM 69 N TYR A 4 0.926 3.624 -9.462 1.00 32.13 N ATOM 70 CA TYR A 4 1.639 4.697 -10.145 1.00 32.30 C ATOM 71 C TYR A 4 3.104 4.733 -9.722 1.00 21.03 C ATOM 72 O TYR A 4 4.004 4.541 -10.540 1.00 12.32 O ATOM 73 CB TYR A 4 0.978 6.045 -9.851 1.00 70.41 C ATOM 74 CG TYR A 4 -0.238 6.322 -10.706 1.00 44.24 C ATOM 75 CD1 TYR A 4 -1.298 5.425 -10.753 1.00 43.15 C ATOM 76 CD2 TYR A 4 -0.326 7.481 -11.468 1.00 62.21 C ATOM 77 CE1 TYR A 4 -2.410 5.674 -11.534 1.00 10.10 C ATOM 78 CE2 TYR A 4 -1.435 7.739 -12.250 1.00 62.32 C ATOM 79 CZ TYR A 4 -2.474 6.832 -12.280 1.00 51.40 C ATOM 80 OH TYR A 4 -3.580 7.085 -13.059 1.00 50.00 O ATOM 0 H TYR A 4 0.227 3.943 -8.790 1.00 32.13 H new ATOM 0 HA TYR A 4 1.594 4.504 -11.217 1.00 32.30 H new ATOM 0 HB2 TYR A 4 0.688 6.077 -8.801 1.00 70.41 H new ATOM 0 HB3 TYR A 4 1.708 6.840 -10.004 1.00 70.41 H new ATOM 0 HD1 TYR A 4 -1.252 4.518 -10.169 1.00 43.15 H new ATOM 0 HD2 TYR A 4 0.487 8.192 -11.448 1.00 62.21 H new ATOM 0 HE1 TYR A 4 -3.225 4.966 -11.560 1.00 10.10 H new ATOM 0 HE2 TYR A 4 -1.488 8.646 -12.835 1.00 62.32 H new ATOM 0 HH TYR A 4 -3.467 7.943 -13.519 1.00 50.00 H new ATOM 90 N VAL A 5 3.336 4.980 -8.436 1.00 60.13 N ATOM 91 CA VAL A 5 4.691 5.040 -7.902 1.00 21.13 C ATOM 92 C VAL A 5 5.450 3.748 -8.182 1.00 21.22 C ATOM 93 O VAL A 5 6.658 3.764 -8.417 1.00 71.12 O ATOM 94 CB VAL A 5 4.685 5.300 -6.384 1.00 34.14 C ATOM 95 CG1 VAL A 5 6.100 5.529 -5.875 1.00 13.21 C ATOM 96 CG2 VAL A 5 3.791 6.485 -6.050 1.00 72.22 C ATOM 0 H VAL A 5 2.603 5.142 -7.745 1.00 60.13 H new ATOM 0 HA VAL A 5 5.192 5.868 -8.403 1.00 21.13 H new ATOM 0 HB VAL A 5 4.283 4.419 -5.884 1.00 34.14 H new ATOM 0 HG11 VAL A 5 6.075 5.711 -4.801 1.00 13.21 H new ATOM 0 HG12 VAL A 5 6.707 4.647 -6.080 1.00 13.21 H new ATOM 0 HG13 VAL A 5 6.533 6.393 -6.379 1.00 13.21 H new ATOM 0 HG21 VAL A 5 3.799 6.654 -4.973 1.00 72.22 H new ATOM 0 HG22 VAL A 5 4.161 7.375 -6.560 1.00 72.22 H new ATOM 0 HG23 VAL A 5 2.772 6.276 -6.377 1.00 72.22 H new ATOM 106 N ALA A 6 4.733 2.629 -8.155 1.00 40.21 N ATOM 107 CA ALA A 6 5.338 1.328 -8.409 1.00 22.44 C ATOM 108 C ALA A 6 5.633 1.139 -9.893 1.00 1.12 C ATOM 109 O ALA A 6 6.362 0.226 -10.279 1.00 45.21 O ATOM 110 CB ALA A 6 4.430 0.216 -7.904 1.00 2.04 C ATOM 0 H ALA A 6 3.732 2.598 -7.960 1.00 40.21 H new ATOM 0 HA ALA A 6 6.284 1.284 -7.869 1.00 22.44 H new ATOM 0 HB1 ALA A 6 4.894 -0.750 -8.100 1.00 2.04 H new ATOM 0 HB2 ALA A 6 4.274 0.332 -6.832 1.00 2.04 H new ATOM 0 HB3 ALA A 6 3.470 0.268 -8.418 1.00 2.04 H new ATOM 116 N MET A 7 5.061 2.008 -10.720 1.00 71.31 N ATOM 117 CA MET A 7 5.264 1.936 -12.162 1.00 53.24 C ATOM 118 C MET A 7 6.223 3.026 -12.631 1.00 70.42 C ATOM 119 O MET A 7 6.795 2.938 -13.718 1.00 32.51 O ATOM 120 CB MET A 7 3.927 2.068 -12.894 1.00 54.31 C ATOM 121 CG MET A 7 4.003 1.708 -14.369 1.00 33.21 C ATOM 122 SD MET A 7 2.844 2.654 -15.376 1.00 4.12 S ATOM 123 CE MET A 7 1.449 1.532 -15.431 1.00 42.34 C ATOM 0 H MET A 7 4.454 2.769 -10.417 1.00 71.31 H new ATOM 0 HA MET A 7 5.703 0.966 -12.394 1.00 53.24 H new ATOM 0 HB2 MET A 7 3.192 1.426 -12.409 1.00 54.31 H new ATOM 0 HB3 MET A 7 3.569 3.093 -12.797 1.00 54.31 H new ATOM 0 HG2 MET A 7 5.017 1.881 -14.729 1.00 33.21 H new ATOM 0 HG3 MET A 7 3.799 0.644 -14.490 1.00 33.21 H new ATOM 0 HE1 MET A 7 0.647 1.977 -16.020 1.00 42.34 H new ATOM 0 HE2 MET A 7 1.756 0.591 -15.888 1.00 42.34 H new ATOM 0 HE3 MET A 7 1.093 1.344 -14.418 1.00 42.34 H new ATOM 133 N VAL A 8 6.395 4.053 -11.805 1.00 35.41 N ATOM 134 CA VAL A 8 7.285 5.159 -12.135 1.00 22.21 C ATOM 135 C VAL A 8 8.556 5.111 -11.294 1.00 32.03 C ATOM 136 O VAL A 8 9.489 5.883 -11.516 1.00 51.03 O ATOM 137 CB VAL A 8 6.594 6.519 -11.923 1.00 75.44 C ATOM 138 CG1 VAL A 8 7.424 7.640 -12.529 1.00 12.10 C ATOM 139 CG2 VAL A 8 5.193 6.501 -12.516 1.00 53.33 C ATOM 0 H VAL A 8 5.929 4.142 -10.902 1.00 35.41 H new ATOM 0 HA VAL A 8 7.545 5.052 -13.188 1.00 22.21 H new ATOM 0 HB VAL A 8 6.509 6.702 -10.852 1.00 75.44 H new ATOM 0 HG11 VAL A 8 6.920 8.593 -12.369 1.00 12.10 H new ATOM 0 HG12 VAL A 8 8.405 7.664 -12.054 1.00 12.10 H new ATOM 0 HG13 VAL A 8 7.543 7.467 -13.599 1.00 12.10 H new ATOM 0 HG21 VAL A 8 4.718 7.469 -12.358 1.00 53.33 H new ATOM 0 HG22 VAL A 8 5.253 6.297 -13.585 1.00 53.33 H new ATOM 0 HG23 VAL A 8 4.602 5.724 -12.031 1.00 53.33 H new ATOM 149 N ILE A 9 8.585 4.200 -10.327 1.00 71.43 N ATOM 150 CA ILE A 9 9.742 4.050 -9.454 1.00 0.04 C ATOM 151 C ILE A 9 11.028 3.919 -10.262 1.00 42.33 C ATOM 152 O ILE A 9 12.100 4.326 -9.813 1.00 53.31 O ATOM 153 CB ILE A 9 9.599 2.822 -8.535 1.00 62.14 C ATOM 154 CG1 ILE A 9 10.846 2.662 -7.664 1.00 25.41 C ATOM 155 CG2 ILE A 9 9.359 1.567 -9.362 1.00 43.52 C ATOM 156 CD1 ILE A 9 10.539 2.282 -6.232 1.00 73.24 C ATOM 0 H ILE A 9 7.820 3.555 -10.129 1.00 71.43 H new ATOM 0 HA ILE A 9 9.792 4.949 -8.840 1.00 0.04 H new ATOM 0 HB ILE A 9 8.740 2.973 -7.882 1.00 62.14 H new ATOM 0 HG12 ILE A 9 11.491 1.901 -8.103 1.00 25.41 H new ATOM 0 HG13 ILE A 9 11.406 3.597 -7.671 1.00 25.41 H new ATOM 0 HG21 ILE A 9 9.260 0.708 -8.699 1.00 43.52 H new ATOM 0 HG22 ILE A 9 8.445 1.684 -9.944 1.00 43.52 H new ATOM 0 HG23 ILE A 9 10.200 1.409 -10.037 1.00 43.52 H new ATOM 0 HD11 ILE A 9 11.470 2.186 -5.673 1.00 73.24 H new ATOM 0 HD12 ILE A 9 9.920 3.054 -5.775 1.00 73.24 H new ATOM 0 HD13 ILE A 9 10.005 1.332 -6.214 1.00 73.24 H new ATOM 168 N TRP A 10 10.914 3.351 -11.457 1.00 52.01 N ATOM 169 CA TRP A 10 12.068 3.168 -12.330 1.00 51.40 C ATOM 170 C TRP A 10 12.766 4.498 -12.594 1.00 63.33 C ATOM 171 O TRP A 10 13.991 4.595 -12.508 1.00 63.32 O ATOM 172 CB TRP A 10 11.637 2.533 -13.653 1.00 22.42 C ATOM 173 CG TRP A 10 11.811 1.044 -13.681 1.00 4.20 C ATOM 174 CD1 TRP A 10 10.823 0.105 -13.755 1.00 20.42 C ATOM 175 CD2 TRP A 10 13.049 0.325 -13.634 1.00 14.23 C ATOM 176 NE1 TRP A 10 11.371 -1.155 -13.756 1.00 64.33 N ATOM 177 CE2 TRP A 10 12.735 -1.047 -13.684 1.00 31.23 C ATOM 178 CE3 TRP A 10 14.391 0.707 -13.556 1.00 74.13 C ATOM 179 CZ2 TRP A 10 13.715 -2.036 -13.657 1.00 50.12 C ATOM 180 CZ3 TRP A 10 15.362 -0.276 -13.530 1.00 0.42 C ATOM 181 CH2 TRP A 10 15.021 -1.634 -13.581 1.00 13.40 C ATOM 0 H TRP A 10 10.034 3.009 -11.844 1.00 52.01 H new ATOM 0 HA TRP A 10 12.771 2.503 -11.828 1.00 51.40 H new ATOM 0 HB2 TRP A 10 10.590 2.773 -13.839 1.00 22.42 H new ATOM 0 HB3 TRP A 10 12.215 2.975 -14.465 1.00 22.42 H new ATOM 0 HD1 TRP A 10 9.766 0.321 -13.805 1.00 20.42 H new ATOM 0 HE1 TRP A 10 10.847 -2.029 -13.803 1.00 64.33 H new ATOM 0 HE3 TRP A 10 14.664 1.751 -13.517 1.00 74.13 H new ATOM 0 HZ2 TRP A 10 13.454 -3.083 -13.695 1.00 50.12 H new ATOM 0 HZ3 TRP A 10 16.402 0.008 -13.469 1.00 0.42 H new ATOM 0 HH2 TRP A 10 15.804 -2.378 -13.560 1.00 13.40 H new ATOM 192 N LEU A 11 11.981 5.520 -12.916 1.00 22.20 N ATOM 193 CA LEU A 11 12.525 6.845 -13.193 1.00 20.23 C ATOM 194 C LEU A 11 12.906 7.558 -11.899 1.00 65.13 C ATOM 195 O LEU A 11 13.841 8.360 -11.873 1.00 35.32 O ATOM 196 CB LEU A 11 11.508 7.683 -13.970 1.00 24.13 C ATOM 197 CG LEU A 11 11.501 7.493 -15.487 1.00 22.41 C ATOM 198 CD1 LEU A 11 10.191 7.987 -16.081 1.00 22.33 C ATOM 199 CD2 LEU A 11 12.682 8.214 -16.121 1.00 32.15 C ATOM 0 H LEU A 11 10.966 5.457 -12.992 1.00 22.20 H new ATOM 0 HA LEU A 11 13.424 6.723 -13.798 1.00 20.23 H new ATOM 0 HB2 LEU A 11 10.512 7.453 -13.591 1.00 24.13 H new ATOM 0 HB3 LEU A 11 11.696 8.735 -13.757 1.00 24.13 H new ATOM 0 HG LEU A 11 11.594 6.428 -15.701 1.00 22.41 H new ATOM 0 HD11 LEU A 11 10.204 7.844 -17.161 1.00 22.33 H new ATOM 0 HD12 LEU A 11 9.362 7.425 -15.651 1.00 22.33 H new ATOM 0 HD13 LEU A 11 10.067 9.046 -15.857 1.00 22.33 H new ATOM 0 HD21 LEU A 11 12.661 8.068 -17.201 1.00 32.15 H new ATOM 0 HD22 LEU A 11 12.620 9.279 -15.898 1.00 32.15 H new ATOM 0 HD23 LEU A 11 13.612 7.812 -15.719 1.00 32.15 H new ATOM 211 N TYR A 12 12.179 7.259 -10.829 1.00 24.03 N ATOM 212 CA TYR A 12 12.441 7.871 -9.532 1.00 2.44 C ATOM 213 C TYR A 12 13.640 7.217 -8.852 1.00 62.12 C ATOM 214 O TYR A 12 14.110 7.682 -7.814 1.00 32.03 O ATOM 215 CB TYR A 12 11.208 7.760 -8.633 1.00 62.03 C ATOM 216 CG TYR A 12 9.993 8.473 -9.182 1.00 10.02 C ATOM 217 CD1 TYR A 12 10.122 9.656 -9.899 1.00 13.13 C ATOM 218 CD2 TYR A 12 8.716 7.963 -8.984 1.00 32.23 C ATOM 219 CE1 TYR A 12 9.014 10.311 -10.401 1.00 10.11 C ATOM 220 CE2 TYR A 12 7.602 8.610 -9.483 1.00 44.35 C ATOM 221 CZ TYR A 12 7.757 9.784 -10.191 1.00 13.31 C ATOM 222 OH TYR A 12 6.651 10.433 -10.691 1.00 11.03 O ATOM 0 H TYR A 12 11.403 6.597 -10.834 1.00 24.03 H new ATOM 0 HA TYR A 12 12.669 8.924 -9.696 1.00 2.44 H new ATOM 0 HB2 TYR A 12 10.967 6.707 -8.489 1.00 62.03 H new ATOM 0 HB3 TYR A 12 11.446 8.169 -7.651 1.00 62.03 H new ATOM 0 HD1 TYR A 12 11.105 10.071 -10.067 1.00 13.13 H new ATOM 0 HD2 TYR A 12 8.592 7.044 -8.430 1.00 32.23 H new ATOM 0 HE1 TYR A 12 9.132 11.231 -10.955 1.00 10.11 H new ATOM 0 HE2 TYR A 12 6.616 8.200 -9.320 1.00 44.35 H new ATOM 0 HH TYR A 12 5.843 9.930 -10.457 1.00 11.03 H new ATOM 232 N SER A 13 14.131 6.134 -9.447 1.00 41.42 N ATOM 233 CA SER A 13 15.273 5.413 -8.899 1.00 65.42 C ATOM 234 C SER A 13 16.335 5.182 -9.970 1.00 61.04 C ATOM 235 O SER A 13 17.127 4.244 -9.883 1.00 40.21 O ATOM 236 CB SER A 13 14.824 4.072 -8.314 1.00 12.52 C ATOM 237 OG SER A 13 15.381 3.865 -7.028 1.00 2.14 O ATOM 0 H SER A 13 13.755 5.737 -10.308 1.00 41.42 H new ATOM 0 HA SER A 13 15.708 6.021 -8.105 1.00 65.42 H new ATOM 0 HB2 SER A 13 13.736 4.045 -8.251 1.00 12.52 H new ATOM 0 HB3 SER A 13 15.125 3.262 -8.979 1.00 12.52 H new ATOM 0 HG SER A 13 15.078 3.002 -6.675 1.00 2.14 H new ATOM 243 N ALA A 14 16.344 6.045 -10.981 1.00 1.11 N ATOM 244 CA ALA A 14 17.309 5.938 -12.068 1.00 74.15 C ATOM 245 C ALA A 14 18.226 7.155 -12.110 1.00 43.05 C ATOM 246 O ALA A 14 19.417 7.038 -12.403 1.00 35.11 O ATOM 247 CB ALA A 14 16.588 5.771 -13.398 1.00 43.53 C ATOM 0 H ALA A 14 15.694 6.826 -11.070 1.00 1.11 H new ATOM 0 HA ALA A 14 17.926 5.058 -11.888 1.00 74.15 H new ATOM 0 HB1 ALA A 14 17.320 5.692 -14.201 1.00 43.53 H new ATOM 0 HB2 ALA A 14 15.980 4.867 -13.371 1.00 43.53 H new ATOM 0 HB3 ALA A 14 15.947 6.634 -13.575 1.00 43.53 H new ATOM 253 N PHE A 15 17.665 8.323 -11.817 1.00 44.52 N ATOM 254 CA PHE A 15 18.433 9.563 -11.823 1.00 44.12 C ATOM 255 C PHE A 15 19.189 9.741 -10.510 1.00 25.13 C ATOM 256 O PHE A 15 19.888 10.735 -10.313 1.00 43.11 O ATOM 257 CB PHE A 15 17.509 10.759 -12.059 1.00 0.55 C ATOM 258 CG PHE A 15 17.723 11.430 -13.385 1.00 53.33 C ATOM 259 CD1 PHE A 15 17.016 11.022 -14.505 1.00 22.31 C ATOM 260 CD2 PHE A 15 18.631 12.469 -13.513 1.00 13.10 C ATOM 261 CE1 PHE A 15 17.210 11.637 -15.727 1.00 41.03 C ATOM 262 CE2 PHE A 15 18.829 13.088 -14.733 1.00 14.55 C ATOM 263 CZ PHE A 15 18.118 12.671 -15.841 1.00 44.23 C ATOM 0 H PHE A 15 16.681 8.437 -11.572 1.00 44.52 H new ATOM 0 HA PHE A 15 19.158 9.508 -12.635 1.00 44.12 H new ATOM 0 HB2 PHE A 15 16.473 10.426 -11.992 1.00 0.55 H new ATOM 0 HB3 PHE A 15 17.661 11.488 -11.263 1.00 0.55 H new ATOM 0 HD1 PHE A 15 16.305 10.214 -14.422 1.00 22.31 H new ATOM 0 HD2 PHE A 15 19.190 12.799 -12.650 1.00 13.10 H new ATOM 0 HE1 PHE A 15 16.652 11.309 -16.592 1.00 41.03 H new ATOM 0 HE2 PHE A 15 19.539 13.897 -14.820 1.00 14.55 H new ATOM 0 HZ PHE A 15 18.272 13.153 -16.795 1.00 44.23 H new ATOM 273 N ARG A 16 19.043 8.770 -9.614 1.00 4.22 N ATOM 274 CA ARG A 16 19.710 8.819 -8.318 1.00 43.53 C ATOM 275 C ARG A 16 20.759 7.717 -8.205 1.00 3.24 C ATOM 276 O ARG A 16 21.871 7.951 -7.733 1.00 64.32 O ATOM 277 CB ARG A 16 18.688 8.683 -7.189 1.00 14.52 C ATOM 278 CG ARG A 16 18.218 10.016 -6.628 1.00 44.14 C ATOM 279 CD ARG A 16 16.707 10.156 -6.716 1.00 33.04 C ATOM 280 NE ARG A 16 16.273 10.591 -8.041 1.00 11.25 N ATOM 281 CZ ARG A 16 15.027 10.954 -8.323 1.00 73.14 C ATOM 282 NH1 ARG A 16 14.096 10.934 -7.379 1.00 4.10 N ATOM 283 NH2 ARG A 16 14.709 11.338 -9.553 1.00 42.12 N ATOM 0 H ARG A 16 18.469 7.940 -9.762 1.00 4.22 H new ATOM 0 HA ARG A 16 20.210 9.784 -8.231 1.00 43.53 H new ATOM 0 HB2 ARG A 16 17.825 8.129 -7.557 1.00 14.52 H new ATOM 0 HB3 ARG A 16 19.126 8.093 -6.383 1.00 14.52 H new ATOM 0 HG2 ARG A 16 18.533 10.106 -5.588 1.00 44.14 H new ATOM 0 HG3 ARG A 16 18.692 10.830 -7.176 1.00 44.14 H new ATOM 0 HD2 ARG A 16 16.240 9.200 -6.477 1.00 33.04 H new ATOM 0 HD3 ARG A 16 16.365 10.873 -5.969 1.00 33.04 H new ATOM 0 HE ARG A 16 16.964 10.617 -8.790 1.00 11.25 H new ATOM 0 HH11 ARG A 16 14.336 10.639 -6.432 1.00 4.10 H new ATOM 0 HH12 ARG A 16 13.140 11.214 -7.599 1.00 4.10 H new ATOM 0 HH21 ARG A 16 15.422 11.354 -10.282 1.00 42.12 H new ATOM 0 HH22 ARG A 16 13.752 11.617 -9.769 1.00 42.12 H new ATOM 297 N GLY A 17 20.396 6.514 -8.640 1.00 2.32 N ATOM 298 CA GLY A 17 21.316 5.394 -8.578 1.00 25.15 C ATOM 299 C GLY A 17 22.159 5.265 -9.831 1.00 74.03 C ATOM 300 O GLY A 17 22.778 4.228 -10.068 1.00 73.42 O ATOM 0 H GLY A 17 19.481 6.296 -9.034 1.00 2.32 H new ATOM 0 HA2 GLY A 17 21.970 5.513 -7.714 1.00 25.15 H new ATOM 0 HA3 GLY A 17 20.753 4.473 -8.427 1.00 25.15 H new ATOM 304 N VAL A 18 22.181 6.321 -10.638 1.00 44.03 N ATOM 305 CA VAL A 18 22.953 6.321 -11.875 1.00 43.52 C ATOM 306 C VAL A 18 23.536 7.702 -12.159 1.00 74.51 C ATOM 307 O VAL A 18 24.036 7.961 -13.253 1.00 1.10 O ATOM 308 CB VAL A 18 22.092 5.883 -13.074 1.00 51.25 C ATOM 309 CG1 VAL A 18 22.973 5.500 -14.253 1.00 62.24 C ATOM 310 CG2 VAL A 18 21.181 4.730 -12.682 1.00 73.12 C ATOM 0 H VAL A 18 21.673 7.187 -10.457 1.00 44.03 H new ATOM 0 HA VAL A 18 23.766 5.607 -11.741 1.00 43.52 H new ATOM 0 HB VAL A 18 21.467 6.723 -13.377 1.00 51.25 H new ATOM 0 HG11 VAL A 18 22.347 5.193 -15.091 1.00 62.24 H new ATOM 0 HG12 VAL A 18 23.579 6.357 -14.548 1.00 62.24 H new ATOM 0 HG13 VAL A 18 23.626 4.675 -13.967 1.00 62.24 H new ATOM 0 HG21 VAL A 18 20.580 4.433 -13.541 1.00 73.12 H new ATOM 0 HG22 VAL A 18 21.785 3.885 -12.352 1.00 73.12 H new ATOM 0 HG23 VAL A 18 20.524 5.045 -11.871 1.00 73.12 H new ATOM 320 N GLN A 19 23.467 8.582 -11.166 1.00 54.53 N ATOM 321 CA GLN A 19 23.987 9.937 -11.310 1.00 63.10 C ATOM 322 C GLN A 19 24.808 10.337 -10.088 1.00 52.13 C ATOM 323 O GLN A 19 26.038 10.363 -10.135 1.00 44.43 O ATOM 324 CB GLN A 19 22.840 10.928 -11.516 1.00 22.34 C ATOM 325 CG GLN A 19 23.296 12.375 -11.613 1.00 61.40 C ATOM 326 CD GLN A 19 24.125 12.643 -12.854 1.00 12.12 C ATOM 327 OE1 GLN A 19 24.317 11.759 -13.690 1.00 15.35 O ATOM 328 NE2 GLN A 19 24.621 13.868 -12.981 1.00 5.03 N ATOM 0 H GLN A 19 23.057 8.382 -10.254 1.00 54.53 H new ATOM 0 HA GLN A 19 24.637 9.959 -12.185 1.00 63.10 H new ATOM 0 HB2 GLN A 19 22.302 10.664 -12.426 1.00 22.34 H new ATOM 0 HB3 GLN A 19 22.136 10.832 -10.690 1.00 22.34 H new ATOM 0 HG2 GLN A 19 22.423 13.028 -11.616 1.00 61.40 H new ATOM 0 HG3 GLN A 19 23.880 12.628 -10.728 1.00 61.40 H new ATOM 0 HE21 GLN A 19 24.437 14.570 -12.264 1.00 5.03 H new ATOM 0 HE22 GLN A 19 25.186 14.107 -13.796 1.00 5.03 H new ATOM 337 N LEU A 20 24.119 10.649 -8.996 1.00 24.42 N ATOM 338 CA LEU A 20 24.784 11.048 -7.760 1.00 44.34 C ATOM 339 C LEU A 20 25.388 9.840 -7.051 1.00 51.14 C ATOM 340 O LEU A 20 26.239 9.983 -6.172 1.00 74.33 O ATOM 341 CB LEU A 20 23.796 11.758 -6.833 1.00 25.54 C ATOM 342 CG LEU A 20 24.338 12.972 -6.078 1.00 10.11 C ATOM 343 CD1 LEU A 20 24.198 14.230 -6.921 1.00 10.23 C ATOM 344 CD2 LEU A 20 23.619 13.137 -4.747 1.00 21.02 C ATOM 0 H LEU A 20 23.101 10.634 -8.941 1.00 24.42 H new ATOM 0 HA LEU A 20 25.591 11.735 -8.016 1.00 44.34 H new ATOM 0 HB2 LEU A 20 22.938 12.077 -7.425 1.00 25.54 H new ATOM 0 HB3 LEU A 20 23.429 11.036 -6.104 1.00 25.54 H new ATOM 0 HG LEU A 20 25.397 12.809 -5.878 1.00 10.11 H new ATOM 0 HD11 LEU A 20 24.589 15.084 -6.368 1.00 10.23 H new ATOM 0 HD12 LEU A 20 24.759 14.111 -7.848 1.00 10.23 H new ATOM 0 HD13 LEU A 20 23.146 14.398 -7.152 1.00 10.23 H new ATOM 0 HD21 LEU A 20 24.018 14.006 -4.223 1.00 21.02 H new ATOM 0 HD22 LEU A 20 22.553 13.278 -4.924 1.00 21.02 H new ATOM 0 HD23 LEU A 20 23.771 12.245 -4.139 1.00 21.02 H new ATOM 356 N THR A 21 24.944 8.649 -7.441 1.00 32.03 N ATOM 357 CA THR A 21 25.440 7.416 -6.844 1.00 23.33 C ATOM 358 C THR A 21 26.343 6.660 -7.813 1.00 14.23 C ATOM 359 O THR A 21 27.189 5.868 -7.398 1.00 61.25 O ATOM 360 CB THR A 21 24.283 6.495 -6.413 1.00 63.51 C ATOM 361 OG1 THR A 21 23.303 7.245 -5.688 1.00 4.35 O ATOM 362 CG2 THR A 21 24.795 5.351 -5.550 1.00 34.01 C ATOM 0 H THR A 21 24.242 8.513 -8.168 1.00 32.03 H new ATOM 0 HA THR A 21 26.015 7.701 -5.963 1.00 23.33 H new ATOM 0 HB THR A 21 23.828 6.077 -7.311 1.00 63.51 H new ATOM 0 HG1 THR A 21 22.506 7.367 -6.245 1.00 4.35 H new ATOM 0 HG21 THR A 21 23.960 4.714 -5.258 1.00 34.01 H new ATOM 0 HG22 THR A 21 25.519 4.764 -6.116 1.00 34.01 H new ATOM 0 HG23 THR A 21 25.273 5.754 -4.658 1.00 34.01 H new ATOM 370 N TYR A 22 26.157 6.911 -9.104 1.00 20.41 N ATOM 371 CA TYR A 22 26.954 6.252 -10.132 1.00 52.23 C ATOM 372 C TYR A 22 28.442 6.508 -9.916 1.00 1.14 C ATOM 373 O TYR A 22 29.264 5.602 -10.047 1.00 32.34 O ATOM 374 CB TYR A 22 26.538 6.741 -11.521 1.00 14.44 C ATOM 375 CG TYR A 22 27.501 6.345 -12.616 1.00 70.44 C ATOM 376 CD1 TYR A 22 27.825 5.011 -12.834 1.00 73.01 C ATOM 377 CD2 TYR A 22 28.088 7.303 -13.433 1.00 61.12 C ATOM 378 CE1 TYR A 22 28.705 4.644 -13.834 1.00 31.45 C ATOM 379 CE2 TYR A 22 28.968 6.945 -14.436 1.00 20.41 C ATOM 380 CZ TYR A 22 29.273 5.614 -14.632 1.00 65.10 C ATOM 381 OH TYR A 22 30.151 5.253 -15.629 1.00 13.10 O ATOM 0 H TYR A 22 25.462 7.565 -9.463 1.00 20.41 H new ATOM 0 HA TYR A 22 26.775 5.179 -10.062 1.00 52.23 H new ATOM 0 HB2 TYR A 22 25.551 6.344 -11.756 1.00 14.44 H new ATOM 0 HB3 TYR A 22 26.449 7.827 -11.503 1.00 14.44 H new ATOM 0 HD1 TYR A 22 27.381 4.248 -12.211 1.00 73.01 H new ATOM 0 HD2 TYR A 22 27.852 8.346 -13.281 1.00 61.12 H new ATOM 0 HE1 TYR A 22 28.947 3.603 -13.990 1.00 31.45 H new ATOM 0 HE2 TYR A 22 29.414 7.703 -15.063 1.00 20.41 H new ATOM 0 HH TYR A 22 30.913 4.778 -15.237 1.00 13.10 H new ATOM 391 N GLU A 23 28.780 7.750 -9.583 1.00 30.04 N ATOM 392 CA GLU A 23 30.169 8.126 -9.348 1.00 21.04 C ATOM 393 C GLU A 23 30.829 7.176 -8.352 1.00 13.54 C ATOM 394 O GLU A 23 30.199 6.728 -7.393 1.00 13.50 O ATOM 395 CB GLU A 23 30.251 9.563 -8.830 1.00 0.44 C ATOM 396 CG GLU A 23 31.093 10.478 -9.703 1.00 3.11 C ATOM 397 CD GLU A 23 30.283 11.596 -10.329 1.00 15.11 C ATOM 398 OE1 GLU A 23 29.131 11.338 -10.738 1.00 23.14 O ATOM 399 OE2 GLU A 23 30.800 12.730 -10.410 1.00 21.05 O ATOM 0 H GLU A 23 28.111 8.512 -9.470 1.00 30.04 H new ATOM 0 HA GLU A 23 30.702 8.058 -10.296 1.00 21.04 H new ATOM 0 HB2 GLU A 23 29.243 9.972 -8.756 1.00 0.44 H new ATOM 0 HB3 GLU A 23 30.666 9.554 -7.822 1.00 0.44 H new ATOM 0 HG2 GLU A 23 31.896 10.908 -9.104 1.00 3.11 H new ATOM 0 HG3 GLU A 23 31.563 9.890 -10.491 1.00 3.11 H new ATOM 406 N HIS A 24 32.102 6.873 -8.586 1.00 14.10 N ATOM 407 CA HIS A 24 32.848 5.977 -7.710 1.00 33.20 C ATOM 408 C HIS A 24 34.285 5.814 -8.196 1.00 12.12 C ATOM 409 O HIS A 24 35.221 5.775 -7.397 1.00 64.11 O ATOM 410 CB HIS A 24 32.163 4.611 -7.640 1.00 2.52 C ATOM 411 CG HIS A 24 31.873 4.158 -6.242 1.00 62.01 C ATOM 412 ND1 HIS A 24 32.842 3.663 -5.395 1.00 3.40 N ATOM 413 CD2 HIS A 24 30.714 4.128 -5.544 1.00 21.14 C ATOM 414 CE1 HIS A 24 32.292 3.347 -4.237 1.00 13.14 C ATOM 415 NE2 HIS A 24 31.001 3.620 -4.301 1.00 31.25 N ATOM 0 H HIS A 24 32.638 7.235 -9.375 1.00 14.10 H new ATOM 0 HA HIS A 24 32.868 6.417 -6.713 1.00 33.20 H new ATOM 0 HB2 HIS A 24 31.229 4.653 -8.201 1.00 2.52 H new ATOM 0 HB3 HIS A 24 32.796 3.871 -8.129 1.00 2.52 H new ATOM 0 HD2 HIS A 24 29.744 4.445 -5.898 1.00 21.14 H new ATOM 0 HE1 HIS A 24 32.809 2.935 -3.383 1.00 13.14 H new ATOM 0 HE2 HIS A 24 30.327 3.477 -3.549 1.00 31.25 H new ATOM 423 N THR A 25 34.453 5.719 -9.511 1.00 53.03 N ATOM 424 CA THR A 25 35.775 5.559 -10.103 1.00 74.45 C ATOM 425 C THR A 25 35.800 6.071 -11.539 1.00 72.30 C ATOM 426 O THR A 25 36.757 6.720 -11.959 1.00 71.05 O ATOM 427 CB THR A 25 36.222 4.085 -10.088 1.00 71.33 C ATOM 428 OG1 THR A 25 35.119 3.242 -9.738 1.00 73.41 O ATOM 429 CG2 THR A 25 37.360 3.875 -9.101 1.00 64.25 C ATOM 0 H THR A 25 33.689 5.750 -10.187 1.00 53.03 H new ATOM 0 HA THR A 25 36.466 6.147 -9.498 1.00 74.45 H new ATOM 0 HB THR A 25 36.575 3.825 -11.086 1.00 71.33 H new ATOM 0 HG1 THR A 25 35.411 2.307 -9.732 1.00 73.41 H new ATOM 0 HG21 THR A 25 37.659 2.827 -9.108 1.00 64.25 H new ATOM 0 HG22 THR A 25 38.209 4.496 -9.387 1.00 64.25 H new ATOM 0 HG23 THR A 25 37.029 4.151 -8.100 1.00 64.25 H new ATOM 437 N MET A 26 34.742 5.775 -12.287 1.00 35.14 N ATOM 438 CA MET A 26 34.642 6.208 -13.676 1.00 24.04 C ATOM 439 C MET A 26 34.435 7.717 -13.761 1.00 63.22 C ATOM 440 O MET A 26 35.217 8.426 -14.397 1.00 31.15 O ATOM 441 CB MET A 26 33.492 5.483 -14.377 1.00 64.04 C ATOM 442 CG MET A 26 33.917 4.200 -15.073 1.00 23.11 C ATOM 443 SD MET A 26 32.858 3.784 -16.471 1.00 54.12 S ATOM 444 CE MET A 26 32.079 2.286 -15.872 1.00 43.25 C ATOM 0 H MET A 26 33.942 5.237 -11.954 1.00 35.14 H new ATOM 0 HA MET A 26 35.577 5.959 -14.177 1.00 24.04 H new ATOM 0 HB2 MET A 26 32.719 5.250 -13.644 1.00 64.04 H new ATOM 0 HB3 MET A 26 33.044 6.153 -15.110 1.00 64.04 H new ATOM 0 HG2 MET A 26 34.945 4.303 -15.419 1.00 23.11 H new ATOM 0 HG3 MET A 26 33.903 3.380 -14.355 1.00 23.11 H new ATOM 0 HE1 MET A 26 31.392 1.906 -16.628 1.00 43.25 H new ATOM 0 HE2 MET A 26 32.843 1.536 -15.666 1.00 43.25 H new ATOM 0 HE3 MET A 26 31.528 2.503 -14.957 1.00 43.25 H new ATOM 454 N LEU A 27 33.379 8.202 -13.119 1.00 34.34 N ATOM 455 CA LEU A 27 33.069 9.627 -13.122 1.00 53.24 C ATOM 456 C LEU A 27 33.699 10.325 -11.921 1.00 35.41 C ATOM 457 O LEU A 27 33.926 11.534 -11.943 1.00 30.11 O ATOM 458 CB LEU A 27 31.554 9.840 -13.114 1.00 31.14 C ATOM 459 CG LEU A 27 30.934 10.310 -14.430 1.00 64.23 C ATOM 460 CD1 LEU A 27 31.350 11.740 -14.735 1.00 44.53 C ATOM 461 CD2 LEU A 27 31.334 9.382 -15.569 1.00 13.24 C ATOM 0 H LEU A 27 32.722 7.629 -12.589 1.00 34.34 H new ATOM 0 HA LEU A 27 33.486 10.062 -14.030 1.00 53.24 H new ATOM 0 HB2 LEU A 27 31.077 8.903 -12.825 1.00 31.14 H new ATOM 0 HB3 LEU A 27 31.314 10.571 -12.342 1.00 31.14 H new ATOM 0 HG LEU A 27 29.849 10.283 -14.329 1.00 64.23 H new ATOM 0 HD11 LEU A 27 30.899 12.057 -15.675 1.00 44.53 H new ATOM 0 HD12 LEU A 27 31.014 12.396 -13.932 1.00 44.53 H new ATOM 0 HD13 LEU A 27 32.436 11.794 -14.817 1.00 44.53 H new ATOM 0 HD21 LEU A 27 30.884 9.731 -16.498 1.00 13.24 H new ATOM 0 HD22 LEU A 27 32.419 9.378 -15.671 1.00 13.24 H new ATOM 0 HD23 LEU A 27 30.986 8.372 -15.355 1.00 13.24 H new ATOM 473 N GLN A 28 33.979 9.553 -10.876 1.00 3.34 N ATOM 474 CA GLN A 28 34.585 10.098 -9.666 1.00 35.51 C ATOM 475 C GLN A 28 35.836 10.904 -9.998 1.00 72.44 C ATOM 476 O GLN A 28 35.862 12.124 -9.839 1.00 11.12 O ATOM 477 CB GLN A 28 34.933 8.970 -8.693 1.00 65.20 C ATOM 478 CG GLN A 28 35.202 9.450 -7.276 1.00 15.11 C ATOM 479 CD GLN A 28 36.528 10.172 -7.146 1.00 0.45 C ATOM 480 OE1 GLN A 28 37.588 9.546 -7.107 1.00 13.41 O ATOM 481 NE2 GLN A 28 36.477 11.497 -7.077 1.00 53.52 N ATOM 0 H GLN A 28 33.796 8.550 -10.842 1.00 3.34 H new ATOM 0 HA GLN A 28 33.862 10.764 -9.196 1.00 35.51 H new ATOM 0 HB2 GLN A 28 34.114 8.251 -8.675 1.00 65.20 H new ATOM 0 HB3 GLN A 28 35.812 8.442 -9.062 1.00 65.20 H new ATOM 0 HG2 GLN A 28 34.398 10.116 -6.963 1.00 15.11 H new ATOM 0 HG3 GLN A 28 35.190 8.596 -6.599 1.00 15.11 H new ATOM 0 HE21 GLN A 28 35.577 11.975 -7.113 1.00 53.52 H new ATOM 0 HE22 GLN A 28 37.338 12.037 -6.988 1.00 53.52 H new ATOM 490 N LYS A 29 36.872 10.213 -10.461 1.00 44.34 N ATOM 491 CA LYS A 29 38.128 10.864 -10.818 1.00 33.22 C ATOM 492 C LYS A 29 38.743 10.218 -12.055 1.00 52.44 C ATOM 493 O LYS A 29 39.965 10.161 -12.196 1.00 74.51 O ATOM 494 CB LYS A 29 39.113 10.792 -9.649 1.00 60.10 C ATOM 495 CG LYS A 29 39.572 9.380 -9.326 1.00 53.41 C ATOM 496 CD LYS A 29 40.611 9.372 -8.218 1.00 64.41 C ATOM 497 CE LYS A 29 41.772 8.446 -8.550 1.00 34.43 C ATOM 498 NZ LYS A 29 41.387 7.012 -8.433 1.00 64.42 N ATOM 0 H LYS A 29 36.867 9.202 -10.598 1.00 44.34 H new ATOM 0 HA LYS A 29 37.916 11.909 -11.043 1.00 33.22 H new ATOM 0 HB2 LYS A 29 39.985 11.404 -9.881 1.00 60.10 H new ATOM 0 HB3 LYS A 29 38.646 11.225 -8.764 1.00 60.10 H new ATOM 0 HG2 LYS A 29 38.715 8.777 -9.027 1.00 53.41 H new ATOM 0 HG3 LYS A 29 39.989 8.918 -10.221 1.00 53.41 H new ATOM 0 HD2 LYS A 29 40.985 10.384 -8.061 1.00 64.41 H new ATOM 0 HD3 LYS A 29 40.147 9.055 -7.284 1.00 64.41 H new ATOM 0 HE2 LYS A 29 42.119 8.648 -9.563 1.00 34.43 H new ATOM 0 HE3 LYS A 29 42.606 8.654 -7.880 1.00 34.43 H new ATOM 0 HZ1 LYS A 29 42.204 6.413 -8.667 1.00 64.42 H new ATOM 0 HZ2 LYS A 29 41.079 6.813 -7.460 1.00 64.42 H new ATOM 0 HZ3 LYS A 29 40.608 6.807 -9.091 1.00 64.42 H new ATOM 512 N LYS A 30 37.889 9.735 -12.951 1.00 52.34 N ATOM 513 CA LYS A 30 38.347 9.096 -14.179 1.00 43.42 C ATOM 514 C LYS A 30 39.343 7.982 -13.874 1.00 31.14 C ATOM 515 O LYS A 30 39.109 7.150 -12.996 1.00 54.33 O ATOM 516 CB LYS A 30 38.991 10.130 -15.107 1.00 21.45 C ATOM 517 CG LYS A 30 38.044 10.672 -16.163 1.00 44.11 C ATOM 518 CD LYS A 30 36.955 11.534 -15.546 1.00 61.54 C ATOM 519 CE LYS A 30 35.963 12.014 -16.595 1.00 65.51 C ATOM 520 NZ LYS A 30 34.905 11.001 -16.862 1.00 34.12 N ATOM 0 H LYS A 30 36.875 9.774 -12.850 1.00 52.34 H new ATOM 0 HA LYS A 30 37.481 8.659 -14.676 1.00 43.42 H new ATOM 0 HB2 LYS A 30 39.367 10.959 -14.508 1.00 21.45 H new ATOM 0 HB3 LYS A 30 39.851 9.677 -15.600 1.00 21.45 H new ATOM 0 HG2 LYS A 30 38.606 11.259 -16.890 1.00 44.11 H new ATOM 0 HG3 LYS A 30 37.589 9.843 -16.705 1.00 44.11 H new ATOM 0 HD2 LYS A 30 36.429 10.964 -14.780 1.00 61.54 H new ATOM 0 HD3 LYS A 30 37.407 12.393 -15.051 1.00 61.54 H new ATOM 0 HE2 LYS A 30 35.501 12.942 -16.260 1.00 65.51 H new ATOM 0 HE3 LYS A 30 36.493 12.238 -17.521 1.00 65.51 H new ATOM 0 HZ1 LYS A 30 34.249 11.366 -17.582 1.00 34.12 H new ATOM 0 HZ2 LYS A 30 35.344 10.123 -17.206 1.00 34.12 H new ATOM 0 HZ3 LYS A 30 34.382 10.806 -15.985 1.00 34.12 H new TER 534 LYS A 30