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 24 HIS : no HD1:sc= -1.97! C(o=-1.1!,f=-3.5!) USER MOD Set 1.2: A 25 THR OG1 : rot 87:sc= 0.838 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) 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 170:sc= 0 (180deg=-0.083) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.93) USER MOD Single : A 21 THR OG1 : rot -109:sc= 0.753 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) 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 1.653 8.038 1.360 1.00 14.01 N ATOM 2 CA LYS A 1 2.064 6.726 0.875 1.00 35.22 C ATOM 3 C LYS A 1 1.171 6.266 -0.273 1.00 32.00 C ATOM 4 O LYS A 1 0.182 5.564 -0.061 1.00 71.45 O ATOM 5 CB LYS A 1 2.018 5.702 2.012 1.00 44.11 C ATOM 6 CG LYS A 1 2.223 4.270 1.549 1.00 4.02 C ATOM 7 CD LYS A 1 2.700 3.380 2.685 1.00 42.02 C ATOM 8 CE LYS A 1 3.089 1.997 2.184 1.00 55.42 C ATOM 9 NZ LYS A 1 3.166 1.007 3.293 1.00 2.13 N ATOM 0 H1 LYS A 1 2.275 8.330 2.141 1.00 14.01 H new ATOM 0 H2 LYS A 1 1.719 8.730 0.587 1.00 14.01 H new ATOM 0 H3 LYS A 1 0.671 7.991 1.699 1.00 14.01 H new ATOM 0 HA LYS A 1 3.087 6.806 0.507 1.00 35.22 H new ATOM 0 HB2 LYS A 1 2.785 5.951 2.745 1.00 44.11 H new ATOM 0 HB3 LYS A 1 1.056 5.777 2.519 1.00 44.11 H new ATOM 0 HG2 LYS A 1 1.288 3.879 1.147 1.00 4.02 H new ATOM 0 HG3 LYS A 1 2.952 4.249 0.739 1.00 4.02 H new ATOM 0 HD2 LYS A 1 3.555 3.844 3.177 1.00 42.02 H new ATOM 0 HD3 LYS A 1 1.912 3.289 3.433 1.00 42.02 H new ATOM 0 HE2 LYS A 1 2.361 1.660 1.446 1.00 55.42 H new ATOM 0 HE3 LYS A 1 4.053 2.052 1.678 1.00 55.42 H new ATOM 0 HZ1 LYS A 1 3.434 0.078 2.911 1.00 2.13 H new ATOM 0 HZ2 LYS A 1 3.879 1.315 3.985 1.00 2.13 H new ATOM 0 HZ3 LYS A 1 2.239 0.936 3.760 1.00 2.13 H new ATOM 23 N LYS A 2 1.526 6.665 -1.489 1.00 44.23 N ATOM 24 CA LYS A 2 0.760 6.292 -2.672 1.00 53.32 C ATOM 25 C LYS A 2 1.679 5.784 -3.778 1.00 52.03 C ATOM 26 O LYS A 2 2.180 6.563 -4.589 1.00 55.51 O ATOM 27 CB LYS A 2 -0.051 7.488 -3.177 1.00 73.34 C ATOM 28 CG LYS A 2 -1.502 7.473 -2.726 1.00 44.15 C ATOM 29 CD LYS A 2 -2.399 8.203 -3.712 1.00 32.24 C ATOM 30 CE LYS A 2 -2.453 9.694 -3.418 1.00 2.22 C ATOM 31 NZ LYS A 2 -3.634 10.053 -2.585 1.00 40.41 N ATOM 0 H LYS A 2 2.341 7.248 -1.681 1.00 44.23 H new ATOM 0 HA LYS A 2 0.078 5.489 -2.394 1.00 53.32 H new ATOM 0 HB2 LYS A 2 0.419 8.408 -2.830 1.00 73.34 H new ATOM 0 HB3 LYS A 2 -0.018 7.505 -4.266 1.00 73.34 H new ATOM 0 HG2 LYS A 2 -1.840 6.442 -2.619 1.00 44.15 H new ATOM 0 HG3 LYS A 2 -1.584 7.939 -1.744 1.00 44.15 H new ATOM 0 HD2 LYS A 2 -2.032 8.044 -4.726 1.00 32.24 H new ATOM 0 HD3 LYS A 2 -3.405 7.786 -3.668 1.00 32.24 H new ATOM 0 HE2 LYS A 2 -1.541 9.996 -2.904 1.00 2.22 H new ATOM 0 HE3 LYS A 2 -2.488 10.248 -4.356 1.00 2.22 H new ATOM 0 HZ1 LYS A 2 -3.635 11.078 -2.407 1.00 40.41 H new ATOM 0 HZ2 LYS A 2 -4.506 9.788 -3.086 1.00 40.41 H new ATOM 0 HZ3 LYS A 2 -3.588 9.544 -1.679 1.00 40.41 H new ATOM 45 N ARG A 3 1.895 4.473 -3.806 1.00 50.01 N ATOM 46 CA ARG A 3 2.754 3.861 -4.813 1.00 54.52 C ATOM 47 C ARG A 3 1.921 3.192 -5.903 1.00 45.11 C ATOM 48 O ARG A 3 0.814 2.718 -5.649 1.00 60.55 O ATOM 49 CB ARG A 3 3.685 2.835 -4.165 1.00 51.42 C ATOM 50 CG ARG A 3 2.951 1.703 -3.465 1.00 11.52 C ATOM 51 CD ARG A 3 3.920 0.744 -2.792 1.00 34.31 C ATOM 52 NE ARG A 3 3.454 -0.639 -2.856 1.00 54.12 N ATOM 53 CZ ARG A 3 2.442 -1.108 -2.134 1.00 3.13 C ATOM 54 NH1 ARG A 3 1.794 -0.309 -1.297 1.00 65.10 N ATOM 55 NH2 ARG A 3 2.077 -2.378 -2.248 1.00 30.42 N ATOM 0 H ARG A 3 1.487 3.814 -3.143 1.00 50.01 H new ATOM 0 HA ARG A 3 3.354 4.648 -5.270 1.00 54.52 H new ATOM 0 HB2 ARG A 3 4.338 2.415 -4.930 1.00 51.42 H new ATOM 0 HB3 ARG A 3 4.325 3.343 -3.443 1.00 51.42 H new ATOM 0 HG2 ARG A 3 2.269 2.115 -2.721 1.00 11.52 H new ATOM 0 HG3 ARG A 3 2.343 1.160 -4.188 1.00 11.52 H new ATOM 0 HD2 ARG A 3 4.896 0.820 -3.270 1.00 34.31 H new ATOM 0 HD3 ARG A 3 4.052 1.034 -1.750 1.00 34.31 H new ATOM 0 HE ARG A 3 3.932 -1.280 -3.490 1.00 54.12 H new ATOM 0 HH11 ARG A 3 2.072 0.668 -1.206 1.00 65.10 H new ATOM 0 HH12 ARG A 3 1.017 -0.672 -0.744 1.00 65.10 H new ATOM 0 HH21 ARG A 3 2.573 -2.996 -2.890 1.00 30.42 H new ATOM 0 HH22 ARG A 3 1.300 -2.737 -1.693 1.00 30.42 H new ATOM 69 N TYR A 4 2.462 3.158 -7.116 1.00 1.30 N ATOM 70 CA TYR A 4 1.769 2.550 -8.245 1.00 53.12 C ATOM 71 C TYR A 4 0.420 3.223 -8.483 1.00 21.31 C ATOM 72 O TYR A 4 -0.504 2.614 -9.022 1.00 33.13 O ATOM 73 CB TYR A 4 1.569 1.053 -8.002 1.00 13.34 C ATOM 74 CG TYR A 4 2.862 0.274 -7.926 1.00 22.00 C ATOM 75 CD1 TYR A 4 3.600 0.001 -9.071 1.00 42.41 C ATOM 76 CD2 TYR A 4 3.347 -0.189 -6.709 1.00 12.03 C ATOM 77 CE1 TYR A 4 4.782 -0.711 -9.006 1.00 40.15 C ATOM 78 CE2 TYR A 4 4.528 -0.901 -6.634 1.00 44.24 C ATOM 79 CZ TYR A 4 5.242 -1.160 -7.786 1.00 41.40 C ATOM 80 OH TYR A 4 6.420 -1.868 -7.717 1.00 73.33 O ATOM 0 H TYR A 4 3.378 3.544 -7.342 1.00 1.30 H new ATOM 0 HA TYR A 4 2.385 2.688 -9.134 1.00 53.12 H new ATOM 0 HB2 TYR A 4 1.016 0.915 -7.073 1.00 13.34 H new ATOM 0 HB3 TYR A 4 0.954 0.642 -8.803 1.00 13.34 H new ATOM 0 HD1 TYR A 4 3.243 0.351 -10.028 1.00 42.41 H new ATOM 0 HD2 TYR A 4 2.790 0.012 -5.805 1.00 12.03 H new ATOM 0 HE1 TYR A 4 5.343 -0.915 -9.906 1.00 40.15 H new ATOM 0 HE2 TYR A 4 4.891 -1.253 -5.679 1.00 44.24 H new ATOM 0 HH TYR A 4 6.602 -2.109 -6.785 1.00 73.33 H new ATOM 90 N VAL A 5 0.316 4.484 -8.077 1.00 53.20 N ATOM 91 CA VAL A 5 -0.918 5.242 -8.247 1.00 12.35 C ATOM 92 C VAL A 5 -0.626 6.714 -8.517 1.00 13.04 C ATOM 93 O VAL A 5 -1.145 7.296 -9.469 1.00 33.42 O ATOM 94 CB VAL A 5 -1.822 5.129 -7.004 1.00 64.02 C ATOM 95 CG1 VAL A 5 -3.089 5.950 -7.189 1.00 21.42 C ATOM 96 CG2 VAL A 5 -2.156 3.672 -6.721 1.00 14.45 C ATOM 0 H VAL A 5 1.071 5.002 -7.628 1.00 53.20 H new ATOM 0 HA VAL A 5 -1.437 4.814 -9.105 1.00 12.35 H new ATOM 0 HB VAL A 5 -1.283 5.528 -6.145 1.00 64.02 H new ATOM 0 HG11 VAL A 5 -3.715 5.858 -6.301 1.00 21.42 H new ATOM 0 HG12 VAL A 5 -2.825 6.997 -7.340 1.00 21.42 H new ATOM 0 HG13 VAL A 5 -3.636 5.584 -8.058 1.00 21.42 H new ATOM 0 HG21 VAL A 5 -2.795 3.610 -5.840 1.00 14.45 H new ATOM 0 HG22 VAL A 5 -2.677 3.245 -7.578 1.00 14.45 H new ATOM 0 HG23 VAL A 5 -1.236 3.116 -6.542 1.00 14.45 H new ATOM 106 N ALA A 6 0.209 7.311 -7.672 1.00 74.31 N ATOM 107 CA ALA A 6 0.572 8.714 -7.821 1.00 0.40 C ATOM 108 C ALA A 6 1.876 8.865 -8.597 1.00 71.54 C ATOM 109 O ALA A 6 2.573 9.871 -8.470 1.00 34.22 O ATOM 110 CB ALA A 6 0.689 9.377 -6.456 1.00 71.12 C ATOM 0 H ALA A 6 0.646 6.844 -6.877 1.00 74.31 H new ATOM 0 HA ALA A 6 -0.217 9.209 -8.387 1.00 0.40 H new ATOM 0 HB1 ALA A 6 0.961 10.425 -6.583 1.00 71.12 H new ATOM 0 HB2 ALA A 6 -0.267 9.310 -5.936 1.00 71.12 H new ATOM 0 HB3 ALA A 6 1.457 8.871 -5.870 1.00 71.12 H new ATOM 116 N MET A 7 2.200 7.857 -9.401 1.00 52.03 N ATOM 117 CA MET A 7 3.421 7.878 -10.199 1.00 14.33 C ATOM 118 C MET A 7 3.242 7.083 -11.488 1.00 33.10 C ATOM 119 O MET A 7 4.217 6.651 -12.103 1.00 32.53 O ATOM 120 CB MET A 7 4.591 7.310 -9.394 1.00 0.44 C ATOM 121 CG MET A 7 5.947 7.834 -9.840 1.00 75.43 C ATOM 122 SD MET A 7 6.989 8.333 -8.456 1.00 54.43 S ATOM 123 CE MET A 7 7.127 6.788 -7.562 1.00 21.05 C ATOM 0 H MET A 7 1.635 7.016 -9.517 1.00 52.03 H new ATOM 0 HA MET A 7 3.637 8.914 -10.460 1.00 14.33 H new ATOM 0 HB2 MET A 7 4.447 7.550 -8.340 1.00 0.44 H new ATOM 0 HB3 MET A 7 4.585 6.223 -9.478 1.00 0.44 H new ATOM 0 HG2 MET A 7 6.459 7.063 -10.415 1.00 75.43 H new ATOM 0 HG3 MET A 7 5.802 8.685 -10.506 1.00 75.43 H new ATOM 0 HE1 MET A 7 7.881 6.886 -6.781 1.00 21.05 H new ATOM 0 HE2 MET A 7 6.166 6.542 -7.110 1.00 21.05 H new ATOM 0 HE3 MET A 7 7.418 5.994 -8.250 1.00 21.05 H new ATOM 133 N VAL A 8 1.990 6.893 -11.892 1.00 53.22 N ATOM 134 CA VAL A 8 1.683 6.150 -13.109 1.00 5.41 C ATOM 135 C VAL A 8 0.830 6.982 -14.060 1.00 61.32 C ATOM 136 O VAL A 8 0.983 6.900 -15.279 1.00 51.03 O ATOM 137 CB VAL A 8 0.947 4.835 -12.793 1.00 64.21 C ATOM 138 CG1 VAL A 8 -0.352 5.114 -12.053 1.00 2.11 C ATOM 139 CG2 VAL A 8 0.685 4.052 -14.071 1.00 20.35 C ATOM 0 H VAL A 8 1.172 7.243 -11.394 1.00 53.22 H new ATOM 0 HA VAL A 8 2.635 5.919 -13.587 1.00 5.41 H new ATOM 0 HB VAL A 8 1.582 4.230 -12.146 1.00 64.21 H new ATOM 0 HG11 VAL A 8 -0.858 4.173 -11.838 1.00 2.11 H new ATOM 0 HG12 VAL A 8 -0.134 5.630 -11.118 1.00 2.11 H new ATOM 0 HG13 VAL A 8 -0.996 5.739 -12.671 1.00 2.11 H new ATOM 0 HG21 VAL A 8 0.164 3.125 -13.830 1.00 20.35 H new ATOM 0 HG22 VAL A 8 0.070 4.649 -14.744 1.00 20.35 H new ATOM 0 HG23 VAL A 8 1.633 3.820 -14.556 1.00 20.35 H new ATOM 149 N ILE A 9 -0.068 7.781 -13.495 1.00 1.50 N ATOM 150 CA ILE A 9 -0.945 8.629 -14.293 1.00 43.31 C ATOM 151 C ILE A 9 -0.363 10.031 -14.447 1.00 73.42 C ATOM 152 O ILE A 9 -0.636 10.722 -15.429 1.00 25.13 O ATOM 153 CB ILE A 9 -2.348 8.734 -13.668 1.00 53.00 C ATOM 154 CG1 ILE A 9 -2.902 7.340 -13.367 1.00 25.44 C ATOM 155 CG2 ILE A 9 -3.286 9.493 -14.595 1.00 61.34 C ATOM 156 CD1 ILE A 9 -2.982 6.445 -14.584 1.00 52.50 C ATOM 0 H ILE A 9 -0.208 7.859 -12.488 1.00 1.50 H new ATOM 0 HA ILE A 9 -1.028 8.162 -15.275 1.00 43.31 H new ATOM 0 HB ILE A 9 -2.271 9.284 -12.730 1.00 53.00 H new ATOM 0 HG12 ILE A 9 -2.273 6.862 -12.616 1.00 25.44 H new ATOM 0 HG13 ILE A 9 -3.897 7.439 -12.933 1.00 25.44 H new ATOM 0 HG21 ILE A 9 -4.274 9.559 -14.139 1.00 61.34 H new ATOM 0 HG22 ILE A 9 -2.897 10.497 -14.764 1.00 61.34 H new ATOM 0 HG23 ILE A 9 -3.360 8.968 -15.547 1.00 61.34 H new ATOM 0 HD11 ILE A 9 -3.383 5.474 -14.295 1.00 52.50 H new ATOM 0 HD12 ILE A 9 -3.635 6.901 -15.329 1.00 52.50 H new ATOM 0 HD13 ILE A 9 -1.986 6.315 -15.006 1.00 52.50 H new ATOM 168 N TRP A 10 0.439 10.442 -13.473 1.00 4.25 N ATOM 169 CA TRP A 10 1.061 11.761 -13.501 1.00 4.23 C ATOM 170 C TRP A 10 1.953 11.916 -14.728 1.00 1.43 C ATOM 171 O TRP A 10 2.132 13.022 -15.241 1.00 64.44 O ATOM 172 CB TRP A 10 1.879 11.989 -12.228 1.00 43.35 C ATOM 173 CG TRP A 10 1.122 12.715 -11.158 1.00 30.44 C ATOM 174 CD1 TRP A 10 1.410 13.946 -10.641 1.00 34.30 C ATOM 175 CD2 TRP A 10 -0.047 12.252 -10.471 1.00 45.35 C ATOM 176 NE1 TRP A 10 0.490 14.277 -9.675 1.00 21.41 N ATOM 177 CE2 TRP A 10 -0.414 13.255 -9.553 1.00 30.13 C ATOM 178 CE3 TRP A 10 -0.819 11.090 -10.545 1.00 53.41 C ATOM 179 CZ2 TRP A 10 -1.519 13.128 -8.715 1.00 60.31 C ATOM 180 CZ3 TRP A 10 -1.915 10.966 -9.713 1.00 34.40 C ATOM 181 CH2 TRP A 10 -2.258 11.980 -8.808 1.00 64.54 C ATOM 0 H TRP A 10 0.674 9.882 -12.654 1.00 4.25 H new ATOM 0 HA TRP A 10 0.269 12.508 -13.554 1.00 4.23 H new ATOM 0 HB2 TRP A 10 2.209 11.026 -11.839 1.00 43.35 H new ATOM 0 HB3 TRP A 10 2.776 12.556 -12.478 1.00 43.35 H new ATOM 0 HD1 TRP A 10 2.239 14.568 -10.946 1.00 34.30 H new ATOM 0 HE1 TRP A 10 0.482 15.143 -9.136 1.00 21.41 H new ATOM 0 HE3 TRP A 10 -0.564 10.303 -11.240 1.00 53.41 H new ATOM 0 HZ2 TRP A 10 -1.783 13.908 -8.016 1.00 60.31 H new ATOM 0 HZ3 TRP A 10 -2.518 10.072 -9.761 1.00 34.40 H new ATOM 0 HH2 TRP A 10 -3.122 11.853 -8.172 1.00 64.54 H new ATOM 192 N LEU A 11 2.510 10.804 -15.194 1.00 31.04 N ATOM 193 CA LEU A 11 3.384 10.817 -16.362 1.00 35.22 C ATOM 194 C LEU A 11 2.656 10.284 -17.592 1.00 13.11 C ATOM 195 O LEU A 11 2.953 10.677 -18.720 1.00 51.13 O ATOM 196 CB LEU A 11 4.637 9.981 -16.095 1.00 52.41 C ATOM 197 CG LEU A 11 5.403 10.311 -14.813 1.00 71.14 C ATOM 198 CD1 LEU A 11 5.877 9.036 -14.133 1.00 5.54 C ATOM 199 CD2 LEU A 11 6.580 11.226 -15.116 1.00 43.22 C ATOM 0 H LEU A 11 2.372 9.882 -14.781 1.00 31.04 H new ATOM 0 HA LEU A 11 3.677 11.849 -16.555 1.00 35.22 H new ATOM 0 HB2 LEU A 11 4.348 8.930 -16.062 1.00 52.41 H new ATOM 0 HB3 LEU A 11 5.315 10.099 -16.940 1.00 52.41 H new ATOM 0 HG LEU A 11 4.730 10.833 -14.133 1.00 71.14 H new ATOM 0 HD11 LEU A 11 6.420 9.289 -13.223 1.00 5.54 H new ATOM 0 HD12 LEU A 11 5.016 8.416 -13.881 1.00 5.54 H new ATOM 0 HD13 LEU A 11 6.535 8.487 -14.807 1.00 5.54 H new ATOM 0 HD21 LEU A 11 7.114 11.450 -14.192 1.00 43.22 H new ATOM 0 HD22 LEU A 11 7.255 10.731 -15.814 1.00 43.22 H new ATOM 0 HD23 LEU A 11 6.216 12.153 -15.559 1.00 43.22 H new ATOM 211 N TYR A 12 1.700 9.389 -17.366 1.00 42.51 N ATOM 212 CA TYR A 12 0.930 8.803 -18.456 1.00 34.30 C ATOM 213 C TYR A 12 -0.404 9.523 -18.630 1.00 31.13 C ATOM 214 O TYR A 12 -1.376 8.944 -19.114 1.00 55.22 O ATOM 215 CB TYR A 12 0.688 7.315 -18.195 1.00 2.04 C ATOM 216 CG TYR A 12 0.602 6.485 -19.455 1.00 62.23 C ATOM 217 CD1 TYR A 12 1.744 5.944 -20.034 1.00 3.33 C ATOM 218 CD2 TYR A 12 -0.620 6.242 -20.069 1.00 34.22 C ATOM 219 CE1 TYR A 12 1.671 5.186 -21.186 1.00 32.31 C ATOM 220 CE2 TYR A 12 -0.703 5.483 -21.220 1.00 55.23 C ATOM 221 CZ TYR A 12 0.445 4.958 -21.775 1.00 73.41 C ATOM 222 OH TYR A 12 0.366 4.203 -22.923 1.00 23.41 O ATOM 0 H TYR A 12 1.440 9.054 -16.438 1.00 42.51 H new ATOM 0 HA TYR A 12 1.506 8.916 -19.375 1.00 34.30 H new ATOM 0 HB2 TYR A 12 1.493 6.929 -17.570 1.00 2.04 H new ATOM 0 HB3 TYR A 12 -0.237 7.200 -17.630 1.00 2.04 H new ATOM 0 HD1 TYR A 12 2.706 6.120 -19.575 1.00 3.33 H new ATOM 0 HD2 TYR A 12 -1.521 6.654 -19.639 1.00 34.22 H new ATOM 0 HE1 TYR A 12 2.569 4.774 -21.623 1.00 32.31 H new ATOM 0 HE2 TYR A 12 -1.662 5.302 -21.683 1.00 55.23 H new ATOM 0 HH TYR A 12 -0.569 4.138 -23.208 1.00 23.41 H new ATOM 232 N SER A 13 -0.441 10.790 -18.231 1.00 0.32 N ATOM 233 CA SER A 13 -1.655 11.591 -18.339 1.00 32.43 C ATOM 234 C SER A 13 -1.373 13.053 -18.009 1.00 41.22 C ATOM 235 O SER A 13 -2.236 13.762 -17.493 1.00 1.24 O ATOM 236 CB SER A 13 -2.736 11.045 -17.403 1.00 61.35 C ATOM 237 OG SER A 13 -4.026 11.200 -17.969 1.00 62.43 O ATOM 0 H SER A 13 0.356 11.284 -17.830 1.00 0.32 H new ATOM 0 HA SER A 13 -2.010 11.531 -19.368 1.00 32.43 H new ATOM 0 HB2 SER A 13 -2.548 9.990 -17.201 1.00 61.35 H new ATOM 0 HB3 SER A 13 -2.690 11.566 -16.446 1.00 61.35 H new ATOM 0 HG SER A 13 -4.699 10.842 -17.353 1.00 62.43 H new ATOM 243 N ALA A 14 -0.158 13.498 -18.312 1.00 65.51 N ATOM 244 CA ALA A 14 0.239 14.875 -18.051 1.00 3.55 C ATOM 245 C ALA A 14 1.461 15.261 -18.877 1.00 43.21 C ATOM 246 O ALA A 14 1.543 16.372 -19.401 1.00 4.30 O ATOM 247 CB ALA A 14 0.519 15.072 -16.568 1.00 22.31 C ATOM 0 H ALA A 14 0.569 12.924 -18.739 1.00 65.51 H new ATOM 0 HA ALA A 14 -0.585 15.525 -18.344 1.00 3.55 H new ATOM 0 HB1 ALA A 14 0.815 16.106 -16.388 1.00 22.31 H new ATOM 0 HB2 ALA A 14 -0.380 14.847 -15.995 1.00 22.31 H new ATOM 0 HB3 ALA A 14 1.324 14.405 -16.258 1.00 22.31 H new ATOM 253 N PHE A 15 2.410 14.337 -18.990 1.00 35.05 N ATOM 254 CA PHE A 15 3.629 14.581 -19.751 1.00 52.33 C ATOM 255 C PHE A 15 3.356 14.512 -21.251 1.00 50.50 C ATOM 256 O PHE A 15 4.044 15.151 -22.048 1.00 13.22 O ATOM 257 CB PHE A 15 4.706 13.564 -19.370 1.00 60.32 C ATOM 258 CG PHE A 15 6.095 14.136 -19.362 1.00 32.15 C ATOM 259 CD1 PHE A 15 6.394 15.251 -18.596 1.00 11.32 C ATOM 260 CD2 PHE A 15 7.101 13.558 -20.118 1.00 41.05 C ATOM 261 CE1 PHE A 15 7.671 15.780 -18.587 1.00 12.13 C ATOM 262 CE2 PHE A 15 8.380 14.082 -20.113 1.00 41.20 C ATOM 263 CZ PHE A 15 8.665 15.194 -19.345 1.00 44.22 C ATOM 0 H PHE A 15 2.358 13.412 -18.564 1.00 35.05 H new ATOM 0 HA PHE A 15 3.984 15.583 -19.509 1.00 52.33 H new ATOM 0 HB2 PHE A 15 4.482 13.162 -18.382 1.00 60.32 H new ATOM 0 HB3 PHE A 15 4.670 12.729 -20.070 1.00 60.32 H new ATOM 0 HD1 PHE A 15 5.621 15.712 -17.999 1.00 11.32 H new ATOM 0 HD2 PHE A 15 6.884 12.687 -20.719 1.00 41.05 H new ATOM 0 HE1 PHE A 15 7.891 16.651 -17.988 1.00 12.13 H new ATOM 0 HE2 PHE A 15 9.155 13.623 -20.709 1.00 41.20 H new ATOM 0 HZ PHE A 15 9.664 15.604 -19.337 1.00 44.22 H new ATOM 273 N ARG A 16 2.348 13.733 -21.628 1.00 20.51 N ATOM 274 CA ARG A 16 1.985 13.578 -23.031 1.00 51.13 C ATOM 275 C ARG A 16 1.042 14.693 -23.475 1.00 34.44 C ATOM 276 O ARG A 16 1.038 15.090 -24.639 1.00 1.52 O ATOM 277 CB ARG A 16 1.327 12.216 -23.263 1.00 42.51 C ATOM 278 CG ARG A 16 -0.084 12.119 -22.707 1.00 51.21 C ATOM 279 CD ARG A 16 -1.127 12.358 -23.788 1.00 45.41 C ATOM 280 NE ARG A 16 -1.309 11.187 -24.641 1.00 51.10 N ATOM 281 CZ ARG A 16 -2.060 10.144 -24.306 1.00 22.32 C ATOM 282 NH1 ARG A 16 -2.695 10.126 -23.142 1.00 43.20 N ATOM 283 NH2 ARG A 16 -2.177 9.115 -25.136 1.00 2.02 N ATOM 0 H ARG A 16 1.768 13.199 -20.981 1.00 20.51 H new ATOM 0 HA ARG A 16 2.897 13.639 -23.625 1.00 51.13 H new ATOM 0 HB2 ARG A 16 1.302 12.012 -24.333 1.00 42.51 H new ATOM 0 HB3 ARG A 16 1.943 11.442 -22.805 1.00 42.51 H new ATOM 0 HG2 ARG A 16 -0.235 11.134 -22.266 1.00 51.21 H new ATOM 0 HG3 ARG A 16 -0.212 12.849 -21.908 1.00 51.21 H new ATOM 0 HD2 ARG A 16 -2.078 12.619 -23.323 1.00 45.41 H new ATOM 0 HD3 ARG A 16 -0.827 13.209 -24.400 1.00 45.41 H new ATOM 0 HE ARG A 16 -0.834 11.169 -25.543 1.00 51.10 H new ATOM 0 HH11 ARG A 16 -2.607 10.915 -22.501 1.00 43.20 H new ATOM 0 HH12 ARG A 16 -3.271 9.324 -22.888 1.00 43.20 H new ATOM 0 HH21 ARG A 16 -1.690 9.125 -26.032 1.00 2.02 H new ATOM 0 HH22 ARG A 16 -2.754 8.315 -24.878 1.00 2.02 H new ATOM 297 N GLY A 17 0.242 15.192 -22.537 1.00 52.12 N ATOM 298 CA GLY A 17 -0.695 16.255 -22.851 1.00 11.13 C ATOM 299 C GLY A 17 0.000 17.545 -23.238 1.00 2.21 C ATOM 300 O GLY A 17 -0.598 18.416 -23.869 1.00 54.32 O ATOM 0 H GLY A 17 0.226 14.879 -21.566 1.00 52.12 H new ATOM 0 HA2 GLY A 17 -1.342 15.935 -23.668 1.00 11.13 H new ATOM 0 HA3 GLY A 17 -1.337 16.436 -21.989 1.00 11.13 H new ATOM 304 N VAL A 18 1.268 17.670 -22.858 1.00 32.33 N ATOM 305 CA VAL A 18 2.045 18.863 -23.168 1.00 44.35 C ATOM 306 C VAL A 18 3.010 18.606 -24.321 1.00 54.32 C ATOM 307 O VAL A 18 3.068 19.378 -25.278 1.00 15.32 O ATOM 308 CB VAL A 18 2.844 19.347 -21.944 1.00 2.42 C ATOM 309 CG1 VAL A 18 3.485 20.698 -22.224 1.00 12.32 C ATOM 310 CG2 VAL A 18 1.947 19.417 -20.717 1.00 44.40 C ATOM 0 H VAL A 18 1.779 16.959 -22.335 1.00 32.33 H new ATOM 0 HA VAL A 18 1.334 19.637 -23.458 1.00 44.35 H new ATOM 0 HB VAL A 18 3.640 18.629 -21.744 1.00 2.42 H new ATOM 0 HG11 VAL A 18 4.045 21.024 -21.348 1.00 12.32 H new ATOM 0 HG12 VAL A 18 4.161 20.611 -23.075 1.00 12.32 H new ATOM 0 HG13 VAL A 18 2.709 21.429 -22.451 1.00 12.32 H new ATOM 0 HG21 VAL A 18 2.528 19.761 -19.861 1.00 44.40 H new ATOM 0 HG22 VAL A 18 1.129 20.113 -20.904 1.00 44.40 H new ATOM 0 HG23 VAL A 18 1.541 18.428 -20.506 1.00 44.40 H new ATOM 320 N GLN A 19 3.764 17.516 -24.223 1.00 11.54 N ATOM 321 CA GLN A 19 4.726 17.158 -25.258 1.00 22.12 C ATOM 322 C GLN A 19 4.024 16.541 -26.463 1.00 44.33 C ATOM 323 O GLN A 19 4.269 15.386 -26.813 1.00 75.31 O ATOM 324 CB GLN A 19 5.764 16.181 -24.703 1.00 4.45 C ATOM 325 CG GLN A 19 6.710 16.809 -23.691 1.00 63.14 C ATOM 326 CD GLN A 19 7.722 15.820 -23.147 1.00 44.21 C ATOM 327 OE1 GLN A 19 7.647 14.622 -23.421 1.00 54.24 O ATOM 328 NE2 GLN A 19 8.678 16.318 -22.371 1.00 20.31 N ATOM 0 H GLN A 19 3.727 16.866 -23.438 1.00 11.54 H new ATOM 0 HA GLN A 19 5.230 18.069 -25.581 1.00 22.12 H new ATOM 0 HB2 GLN A 19 5.248 15.343 -24.234 1.00 4.45 H new ATOM 0 HB3 GLN A 19 6.347 15.775 -25.530 1.00 4.45 H new ATOM 0 HG2 GLN A 19 7.236 17.641 -24.159 1.00 63.14 H new ATOM 0 HG3 GLN A 19 6.131 17.222 -22.865 1.00 63.14 H new ATOM 0 HE21 GLN A 19 8.702 17.318 -22.170 1.00 20.31 H new ATOM 0 HE22 GLN A 19 9.388 15.701 -21.976 1.00 20.31 H new ATOM 337 N LEU A 20 3.152 17.319 -27.095 1.00 32.41 N ATOM 338 CA LEU A 20 2.413 16.849 -28.262 1.00 65.22 C ATOM 339 C LEU A 20 1.506 17.946 -28.810 1.00 71.51 C ATOM 340 O LEU A 20 1.306 18.055 -30.020 1.00 60.24 O ATOM 341 CB LEU A 20 1.583 15.616 -27.902 1.00 74.14 C ATOM 342 CG LEU A 20 0.488 15.230 -28.898 1.00 43.02 C ATOM 343 CD1 LEU A 20 0.605 13.762 -29.277 1.00 32.21 C ATOM 344 CD2 LEU A 20 -0.888 15.526 -28.320 1.00 23.14 C ATOM 0 H LEU A 20 2.939 18.278 -26.819 1.00 32.41 H new ATOM 0 HA LEU A 20 3.134 16.580 -29.034 1.00 65.22 H new ATOM 0 HB2 LEU A 20 2.259 14.768 -27.789 1.00 74.14 H new ATOM 0 HB3 LEU A 20 1.119 15.786 -26.930 1.00 74.14 H new ATOM 0 HG LEU A 20 0.617 15.828 -29.800 1.00 43.02 H new ATOM 0 HD11 LEU A 20 -0.182 13.505 -29.986 1.00 32.21 H new ATOM 0 HD12 LEU A 20 1.578 13.581 -29.733 1.00 32.21 H new ATOM 0 HD13 LEU A 20 0.503 13.146 -28.383 1.00 32.21 H new ATOM 0 HD21 LEU A 20 -1.654 15.245 -29.042 1.00 23.14 H new ATOM 0 HD22 LEU A 20 -1.028 14.955 -27.402 1.00 23.14 H new ATOM 0 HD23 LEU A 20 -0.969 16.591 -28.101 1.00 23.14 H new ATOM 356 N THR A 21 0.959 18.759 -27.911 1.00 65.43 N ATOM 357 CA THR A 21 0.074 19.848 -28.304 1.00 63.30 C ATOM 358 C THR A 21 0.857 20.988 -28.946 1.00 35.23 C ATOM 359 O THR A 21 0.303 21.782 -29.707 1.00 23.11 O ATOM 360 CB THR A 21 -0.712 20.395 -27.098 1.00 74.11 C ATOM 361 OG1 THR A 21 0.100 20.346 -25.920 1.00 42.11 O ATOM 362 CG2 THR A 21 -1.987 19.594 -26.875 1.00 4.52 C ATOM 0 H THR A 21 1.114 18.683 -26.906 1.00 65.43 H new ATOM 0 HA THR A 21 -0.628 19.439 -29.031 1.00 63.30 H new ATOM 0 HB THR A 21 -0.983 21.430 -27.308 1.00 74.11 H new ATOM 0 HG1 THR A 21 -0.235 19.646 -25.321 1.00 42.11 H new ATOM 0 HG21 THR A 21 -2.526 19.999 -26.018 1.00 4.52 H new ATOM 0 HG22 THR A 21 -2.617 19.658 -27.762 1.00 4.52 H new ATOM 0 HG23 THR A 21 -1.733 18.551 -26.685 1.00 4.52 H new ATOM 370 N TYR A 22 2.146 21.063 -28.635 1.00 33.04 N ATOM 371 CA TYR A 22 3.004 22.108 -29.180 1.00 70.11 C ATOM 372 C TYR A 22 4.257 21.509 -29.811 1.00 43.12 C ATOM 373 O TYR A 22 5.100 22.229 -30.346 1.00 20.13 O ATOM 374 CB TYR A 22 3.396 23.100 -28.083 1.00 73.54 C ATOM 375 CG TYR A 22 3.753 24.472 -28.607 1.00 61.05 C ATOM 376 CD1 TYR A 22 2.889 25.163 -29.448 1.00 2.22 C ATOM 377 CD2 TYR A 22 4.955 25.078 -28.261 1.00 73.13 C ATOM 378 CE1 TYR A 22 3.212 26.417 -29.930 1.00 22.05 C ATOM 379 CE2 TYR A 22 5.285 26.332 -28.737 1.00 44.11 C ATOM 380 CZ TYR A 22 4.411 26.997 -29.571 1.00 42.22 C ATOM 381 OH TYR A 22 4.736 28.247 -30.048 1.00 30.41 O ATOM 0 H TYR A 22 2.620 20.413 -28.008 1.00 33.04 H new ATOM 0 HA TYR A 22 2.445 22.635 -29.954 1.00 70.11 H new ATOM 0 HB2 TYR A 22 2.571 23.193 -27.377 1.00 73.54 H new ATOM 0 HB3 TYR A 22 4.245 22.700 -27.529 1.00 73.54 H new ATOM 0 HD1 TYR A 22 1.949 24.712 -29.730 1.00 2.22 H new ATOM 0 HD2 TYR A 22 5.643 24.560 -27.609 1.00 73.13 H new ATOM 0 HE1 TYR A 22 2.530 26.940 -30.584 1.00 22.05 H new ATOM 0 HE2 TYR A 22 6.223 26.789 -28.457 1.00 44.11 H new ATOM 0 HH TYR A 22 5.613 28.512 -29.700 1.00 30.41 H new ATOM 391 N GLU A 23 4.371 20.186 -29.745 1.00 2.31 N ATOM 392 CA GLU A 23 5.521 19.490 -30.310 1.00 3.05 C ATOM 393 C GLU A 23 5.713 19.858 -31.778 1.00 73.32 C ATOM 394 O GLU A 23 6.839 19.932 -32.269 1.00 44.44 O ATOM 395 CB GLU A 23 5.348 17.976 -30.170 1.00 1.22 C ATOM 396 CG GLU A 23 4.365 17.382 -31.164 1.00 61.42 C ATOM 397 CD GLU A 23 4.301 15.869 -31.087 1.00 71.45 C ATOM 398 OE1 GLU A 23 5.242 15.261 -30.536 1.00 1.44 O ATOM 399 OE2 GLU A 23 3.308 15.292 -31.580 1.00 23.14 O ATOM 0 H GLU A 23 3.682 19.575 -29.306 1.00 2.31 H new ATOM 0 HA GLU A 23 6.408 19.800 -29.757 1.00 3.05 H new ATOM 0 HB2 GLU A 23 6.317 17.495 -30.298 1.00 1.22 H new ATOM 0 HB3 GLU A 23 5.011 17.749 -29.159 1.00 1.22 H new ATOM 0 HG2 GLU A 23 3.373 17.794 -30.979 1.00 61.42 H new ATOM 0 HG3 GLU A 23 4.650 17.679 -32.173 1.00 61.42 H new ATOM 406 N HIS A 24 4.603 20.086 -32.474 1.00 65.24 N ATOM 407 CA HIS A 24 4.648 20.446 -33.887 1.00 61.32 C ATOM 408 C HIS A 24 5.422 21.744 -34.093 1.00 3.21 C ATOM 409 O HIS A 24 5.946 22.003 -35.177 1.00 61.31 O ATOM 410 CB HIS A 24 3.231 20.589 -34.444 1.00 2.54 C ATOM 411 CG HIS A 24 2.397 21.591 -33.706 1.00 41.33 C ATOM 412 ND1 HIS A 24 2.083 22.832 -34.219 1.00 5.52 N ATOM 413 CD2 HIS A 24 1.809 21.529 -32.489 1.00 10.22 C ATOM 414 CE1 HIS A 24 1.340 23.491 -33.348 1.00 1.13 C ATOM 415 NE2 HIS A 24 1.159 22.722 -32.289 1.00 75.03 N ATOM 0 H HIS A 24 3.663 20.028 -32.083 1.00 65.24 H new ATOM 0 HA HIS A 24 5.162 19.649 -34.423 1.00 61.32 H new ATOM 0 HB2 HIS A 24 3.289 20.879 -35.493 1.00 2.54 H new ATOM 0 HB3 HIS A 24 2.735 19.619 -34.408 1.00 2.54 H new ATOM 0 HD2 HIS A 24 1.844 20.696 -31.802 1.00 10.22 H new ATOM 0 HE1 HIS A 24 0.947 24.489 -33.479 1.00 1.13 H new ATOM 0 HE2 HIS A 24 0.624 22.974 -31.458 1.00 75.03 H new ATOM 423 N THR A 25 5.490 22.559 -33.045 1.00 4.51 N ATOM 424 CA THR A 25 6.198 23.832 -33.111 1.00 24.41 C ATOM 425 C THR A 25 6.945 24.113 -31.812 1.00 40.41 C ATOM 426 O THR A 25 6.643 25.077 -31.108 1.00 61.43 O ATOM 427 CB THR A 25 5.233 24.997 -33.398 1.00 44.33 C ATOM 428 OG1 THR A 25 4.212 25.047 -32.396 1.00 22.54 O ATOM 429 CG2 THR A 25 4.596 24.846 -34.771 1.00 41.43 C ATOM 0 H THR A 25 5.063 22.360 -32.140 1.00 4.51 H new ATOM 0 HA THR A 25 6.914 23.754 -33.929 1.00 24.41 H new ATOM 0 HB THR A 25 5.804 25.925 -33.380 1.00 44.33 H new ATOM 0 HG1 THR A 25 4.528 25.576 -31.634 1.00 22.54 H new ATOM 0 HG21 THR A 25 3.918 25.680 -34.951 1.00 41.43 H new ATOM 0 HG22 THR A 25 5.374 24.839 -35.534 1.00 41.43 H new ATOM 0 HG23 THR A 25 4.038 23.910 -34.812 1.00 41.43 H new ATOM 437 N MET A 26 7.921 23.267 -31.501 1.00 4.22 N ATOM 438 CA MET A 26 8.713 23.427 -30.286 1.00 53.43 C ATOM 439 C MET A 26 10.193 23.583 -30.619 1.00 3.12 C ATOM 440 O MET A 26 10.744 24.682 -30.544 1.00 45.11 O ATOM 441 CB MET A 26 8.510 22.229 -29.358 1.00 32.51 C ATOM 442 CG MET A 26 7.289 22.354 -28.461 1.00 51.21 C ATOM 443 SD MET A 26 7.695 22.209 -26.710 1.00 62.34 S ATOM 444 CE MET A 26 6.991 20.606 -26.331 1.00 62.04 C ATOM 0 H MET A 26 8.183 22.464 -32.073 1.00 4.22 H new ATOM 0 HA MET A 26 8.376 24.331 -29.779 1.00 53.43 H new ATOM 0 HB2 MET A 26 8.417 21.325 -29.960 1.00 32.51 H new ATOM 0 HB3 MET A 26 9.397 22.108 -28.736 1.00 32.51 H new ATOM 0 HG2 MET A 26 6.809 23.316 -28.640 1.00 51.21 H new ATOM 0 HG3 MET A 26 6.567 21.582 -28.728 1.00 51.21 H new ATOM 0 HE1 MET A 26 7.161 20.373 -25.280 1.00 62.04 H new ATOM 0 HE2 MET A 26 5.919 20.623 -26.530 1.00 62.04 H new ATOM 0 HE3 MET A 26 7.463 19.845 -26.952 1.00 62.04 H new ATOM 454 N LEU A 27 10.832 22.478 -30.985 1.00 60.53 N ATOM 455 CA LEU A 27 12.250 22.491 -31.329 1.00 53.31 C ATOM 456 C LEU A 27 12.455 22.165 -32.805 1.00 23.02 C ATOM 457 O LEU A 27 13.536 21.740 -33.211 1.00 25.11 O ATOM 458 CB LEU A 27 13.015 21.490 -30.462 1.00 73.21 C ATOM 459 CG LEU A 27 14.264 22.025 -29.762 1.00 65.03 C ATOM 460 CD1 LEU A 27 13.936 22.460 -28.342 1.00 64.54 C ATOM 461 CD2 LEU A 27 15.365 20.974 -29.760 1.00 3.44 C ATOM 0 H LEU A 27 10.391 21.561 -31.051 1.00 60.53 H new ATOM 0 HA LEU A 27 12.635 23.493 -31.141 1.00 53.31 H new ATOM 0 HB2 LEU A 27 12.335 21.103 -29.703 1.00 73.21 H new ATOM 0 HB3 LEU A 27 13.307 20.647 -31.088 1.00 73.21 H new ATOM 0 HG LEU A 27 14.621 22.895 -30.312 1.00 65.03 H new ATOM 0 HD11 LEU A 27 14.838 22.838 -27.860 1.00 64.54 H new ATOM 0 HD12 LEU A 27 13.181 23.246 -28.367 1.00 64.54 H new ATOM 0 HD13 LEU A 27 13.554 21.608 -27.780 1.00 64.54 H new ATOM 0 HD21 LEU A 27 16.247 21.372 -29.258 1.00 3.44 H new ATOM 0 HD22 LEU A 27 15.018 20.085 -29.234 1.00 3.44 H new ATOM 0 HD23 LEU A 27 15.620 20.712 -30.787 1.00 3.44 H new ATOM 473 N GLN A 28 11.411 22.369 -33.602 1.00 24.13 N ATOM 474 CA GLN A 28 11.479 22.098 -35.033 1.00 32.42 C ATOM 475 C GLN A 28 11.374 23.389 -35.837 1.00 74.13 C ATOM 476 O GLN A 28 11.017 23.372 -37.016 1.00 24.23 O ATOM 477 CB GLN A 28 10.364 21.134 -35.444 1.00 13.43 C ATOM 478 CG GLN A 28 10.766 19.670 -35.370 1.00 3.44 C ATOM 479 CD GLN A 28 11.363 19.163 -36.667 1.00 64.13 C ATOM 480 OE1 GLN A 28 12.583 19.063 -36.806 1.00 31.34 O ATOM 481 NE2 GLN A 28 10.505 18.839 -37.627 1.00 42.04 N ATOM 0 H GLN A 28 10.509 22.721 -33.281 1.00 24.13 H new ATOM 0 HA GLN A 28 12.444 21.638 -35.245 1.00 32.42 H new ATOM 0 HB2 GLN A 28 9.499 21.297 -34.801 1.00 13.43 H new ATOM 0 HB3 GLN A 28 10.052 21.365 -36.463 1.00 13.43 H new ATOM 0 HG2 GLN A 28 11.488 19.536 -34.565 1.00 3.44 H new ATOM 0 HG3 GLN A 28 9.892 19.069 -35.117 1.00 3.44 H new ATOM 0 HE21 GLN A 28 9.502 18.937 -37.469 1.00 42.04 H new ATOM 0 HE22 GLN A 28 10.849 18.492 -38.522 1.00 42.04 H new ATOM 490 N LYS A 29 11.686 24.508 -35.193 1.00 55.42 N ATOM 491 CA LYS A 29 11.627 25.810 -35.848 1.00 24.01 C ATOM 492 C LYS A 29 10.207 26.126 -36.305 1.00 11.22 C ATOM 493 O LYS A 29 9.998 26.963 -37.184 1.00 32.24 O ATOM 494 CB LYS A 29 12.579 25.844 -37.046 1.00 2.32 C ATOM 495 CG LYS A 29 13.951 25.263 -36.749 1.00 51.15 C ATOM 496 CD LYS A 29 14.896 25.436 -37.927 1.00 32.51 C ATOM 497 CE LYS A 29 16.221 24.728 -37.687 1.00 34.03 C ATOM 498 NZ LYS A 29 16.446 23.626 -38.663 1.00 12.12 N ATOM 0 H LYS A 29 11.983 24.540 -34.218 1.00 55.42 H new ATOM 0 HA LYS A 29 11.934 26.566 -35.126 1.00 24.01 H new ATOM 0 HB2 LYS A 29 12.131 25.291 -37.872 1.00 2.32 H new ATOM 0 HB3 LYS A 29 12.695 26.876 -37.378 1.00 2.32 H new ATOM 0 HG2 LYS A 29 14.371 25.751 -35.869 1.00 51.15 H new ATOM 0 HG3 LYS A 29 13.855 24.204 -36.511 1.00 51.15 H new ATOM 0 HD2 LYS A 29 14.430 25.042 -38.830 1.00 32.51 H new ATOM 0 HD3 LYS A 29 15.075 26.497 -38.098 1.00 32.51 H new ATOM 0 HE2 LYS A 29 17.036 25.448 -37.759 1.00 34.03 H new ATOM 0 HE3 LYS A 29 16.239 24.325 -36.674 1.00 34.03 H new ATOM 0 HZ1 LYS A 29 17.359 23.169 -38.466 1.00 12.12 H new ATOM 0 HZ2 LYS A 29 15.682 22.925 -38.578 1.00 12.12 H new ATOM 0 HZ3 LYS A 29 16.454 24.013 -39.628 1.00 12.12 H new ATOM 512 N LYS A 30 9.233 25.453 -35.702 1.00 13.22 N ATOM 513 CA LYS A 30 7.831 25.664 -36.044 1.00 61.11 C ATOM 514 C LYS A 30 7.663 25.870 -37.546 1.00 52.10 C ATOM 515 O LYS A 30 6.725 26.533 -37.990 1.00 70.22 O ATOM 516 CB LYS A 30 7.276 26.873 -35.287 1.00 61.32 C ATOM 517 CG LYS A 30 7.822 28.202 -35.780 1.00 31.33 C ATOM 518 CD LYS A 30 9.043 28.632 -34.985 1.00 24.12 C ATOM 519 CE LYS A 30 8.686 29.671 -33.933 1.00 44.33 C ATOM 520 NZ LYS A 30 8.642 31.046 -34.505 1.00 31.23 N ATOM 0 H LYS A 30 9.389 24.756 -34.973 1.00 13.22 H new ATOM 0 HA LYS A 30 7.274 24.774 -35.752 1.00 61.11 H new ATOM 0 HB2 LYS A 30 6.190 26.880 -35.377 1.00 61.32 H new ATOM 0 HB3 LYS A 30 7.507 26.765 -34.227 1.00 61.32 H new ATOM 0 HG2 LYS A 30 8.084 28.120 -36.835 1.00 31.33 H new ATOM 0 HG3 LYS A 30 7.048 28.966 -35.702 1.00 31.33 H new ATOM 0 HD2 LYS A 30 9.489 27.762 -34.502 1.00 24.12 H new ATOM 0 HD3 LYS A 30 9.794 29.041 -35.662 1.00 24.12 H new ATOM 0 HE2 LYS A 30 7.717 29.428 -33.496 1.00 44.33 H new ATOM 0 HE3 LYS A 30 9.417 29.637 -33.125 1.00 44.33 H new ATOM 0 HZ1 LYS A 30 8.395 31.725 -33.757 1.00 31.23 H new ATOM 0 HZ2 LYS A 30 9.573 31.288 -34.899 1.00 31.23 H new ATOM 0 HZ3 LYS A 30 7.926 31.086 -35.258 1.00 31.23 H new TER 534 LYS A 30