USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 253 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 7 MET CE :methyl -170:sc= 0 (180deg=-0.214) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -104:sc= 1.22 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -140:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00341 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.602 X(o=-0.6,f=-0.51) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 5.779 -15.873 -1.221 1.00 44.21 N ATOM 2 CA GLY A 5 5.856 -16.086 0.212 1.00 12.11 C ATOM 3 C GLY A 5 7.118 -15.506 0.819 1.00 44.41 C ATOM 4 O GLY A 5 8.099 -16.219 1.028 1.00 62.11 O ATOM 0 HA2 GLY A 5 4.986 -15.635 0.690 1.00 12.11 H new ATOM 0 HA3 GLY A 5 5.815 -17.155 0.420 1.00 12.11 H new ATOM 8 N ALA A 6 7.095 -14.207 1.100 1.00 1.35 N ATOM 9 CA ALA A 6 8.247 -13.531 1.686 1.00 74.55 C ATOM 10 C ALA A 6 8.139 -13.482 3.206 1.00 62.41 C ATOM 11 O ALA A 6 7.080 -13.753 3.772 1.00 65.30 O ATOM 12 CB ALA A 6 8.379 -12.126 1.118 1.00 15.11 C ATOM 0 H ALA A 6 6.292 -13.602 0.931 1.00 1.35 H new ATOM 0 HA ALA A 6 9.141 -14.100 1.430 1.00 74.55 H new ATOM 0 HB1 ALA A 6 9.243 -11.633 1.564 1.00 15.11 H new ATOM 0 HB2 ALA A 6 8.511 -12.181 0.037 1.00 15.11 H new ATOM 0 HB3 ALA A 6 7.478 -11.556 1.345 1.00 15.11 H new ATOM 18 N MET A 7 9.242 -13.135 3.861 1.00 23.52 N ATOM 19 CA MET A 7 9.270 -13.051 5.317 1.00 4.22 C ATOM 20 C MET A 7 9.390 -11.601 5.775 1.00 53.10 C ATOM 21 O MET A 7 9.263 -10.675 4.974 1.00 10.24 O ATOM 22 CB MET A 7 10.436 -13.870 5.874 1.00 63.31 C ATOM 23 CG MET A 7 10.559 -15.252 5.251 1.00 31.24 C ATOM 24 SD MET A 7 11.564 -16.374 6.243 1.00 3.12 S ATOM 25 CE MET A 7 13.089 -15.444 6.365 1.00 0.31 C ATOM 0 H MET A 7 10.127 -12.908 3.408 1.00 23.52 H new ATOM 0 HA MET A 7 8.333 -13.459 5.698 1.00 4.22 H new ATOM 0 HB2 MET A 7 11.365 -13.323 5.711 1.00 63.31 H new ATOM 0 HB3 MET A 7 10.313 -13.976 6.952 1.00 63.31 H new ATOM 0 HG2 MET A 7 9.564 -15.678 5.123 1.00 31.24 H new ATOM 0 HG3 MET A 7 10.997 -15.161 4.257 1.00 31.24 H new ATOM 0 HE1 MET A 7 13.867 -16.075 6.794 1.00 0.31 H new ATOM 0 HE2 MET A 7 13.395 -15.116 5.372 1.00 0.31 H new ATOM 0 HE3 MET A 7 12.935 -14.574 7.003 1.00 0.31 H new ATOM 35 N GLY A 8 9.634 -11.410 7.068 1.00 71.21 N ATOM 36 CA GLY A 8 9.765 -10.071 7.609 1.00 52.33 C ATOM 37 C GLY A 8 11.126 -9.464 7.330 1.00 3.50 C ATOM 38 O GLY A 8 12.130 -10.172 7.278 1.00 23.54 O ATOM 0 H GLY A 8 9.743 -12.160 7.751 1.00 71.21 H new ATOM 0 HA2 GLY A 8 8.991 -9.433 7.182 1.00 52.33 H new ATOM 0 HA3 GLY A 8 9.597 -10.099 8.686 1.00 52.33 H new ATOM 42 N SER A 9 11.159 -8.147 7.149 1.00 63.13 N ATOM 43 CA SER A 9 12.406 -7.446 6.868 1.00 50.30 C ATOM 44 C SER A 9 12.239 -5.941 7.063 1.00 32.45 C ATOM 45 O SER A 9 11.214 -5.479 7.565 1.00 2.25 O ATOM 46 CB SER A 9 12.870 -7.737 5.440 1.00 71.22 C ATOM 47 OG SER A 9 14.220 -8.165 5.419 1.00 70.42 O ATOM 0 H SER A 9 10.337 -7.545 7.192 1.00 63.13 H new ATOM 0 HA SER A 9 13.161 -7.805 7.568 1.00 50.30 H new ATOM 0 HB2 SER A 9 12.235 -8.505 4.998 1.00 71.22 H new ATOM 0 HB3 SER A 9 12.760 -6.841 4.829 1.00 71.22 H new ATOM 0 HG SER A 9 14.491 -8.346 4.495 1.00 70.42 H new ATOM 53 N VAL A 10 13.254 -5.182 6.663 1.00 34.42 N ATOM 54 CA VAL A 10 13.221 -3.730 6.792 1.00 33.24 C ATOM 55 C VAL A 10 12.774 -3.073 5.492 1.00 43.04 C ATOM 56 O VAL A 10 13.566 -2.420 4.811 1.00 62.11 O ATOM 57 CB VAL A 10 14.599 -3.171 7.192 1.00 64.24 C ATOM 58 CG1 VAL A 10 14.504 -1.683 7.495 1.00 25.42 C ATOM 59 CG2 VAL A 10 15.157 -3.932 8.384 1.00 4.15 C ATOM 0 H VAL A 10 14.110 -5.549 6.247 1.00 34.42 H new ATOM 0 HA VAL A 10 12.502 -3.498 7.578 1.00 33.24 H new ATOM 0 HB VAL A 10 15.283 -3.304 6.354 1.00 64.24 H new ATOM 0 HG11 VAL A 10 15.487 -1.305 7.776 1.00 25.42 H new ATOM 0 HG12 VAL A 10 14.151 -1.153 6.610 1.00 25.42 H new ATOM 0 HG13 VAL A 10 13.806 -1.523 8.316 1.00 25.42 H new ATOM 0 HG21 VAL A 10 16.131 -3.524 8.653 1.00 4.15 H new ATOM 0 HG22 VAL A 10 14.476 -3.833 9.230 1.00 4.15 H new ATOM 0 HG23 VAL A 10 15.264 -4.985 8.125 1.00 4.15 H new ATOM 69 N ASP A 11 11.503 -3.250 5.151 1.00 35.04 N ATOM 70 CA ASP A 11 10.949 -2.673 3.932 1.00 1.42 C ATOM 71 C ASP A 11 9.475 -2.327 4.115 1.00 63.13 C ATOM 72 O ASP A 11 8.638 -3.211 4.296 1.00 20.22 O ATOM 73 CB ASP A 11 11.118 -3.641 2.761 1.00 61.11 C ATOM 74 CG ASP A 11 12.547 -3.699 2.259 1.00 61.32 C ATOM 75 OD1 ASP A 11 13.029 -2.682 1.720 1.00 0.42 O ATOM 76 OD2 ASP A 11 13.184 -4.764 2.403 1.00 21.25 O ATOM 0 H ASP A 11 10.836 -3.789 5.702 1.00 35.04 H new ATOM 0 HA ASP A 11 11.494 -1.754 3.714 1.00 1.42 H new ATOM 0 HB2 ASP A 11 10.804 -4.638 3.069 1.00 61.11 H new ATOM 0 HB3 ASP A 11 10.462 -3.338 1.945 1.00 61.11 H new ATOM 81 N SER A 12 9.164 -1.035 4.065 1.00 14.05 N ATOM 82 CA SER A 12 7.791 -0.573 4.231 1.00 33.41 C ATOM 83 C SER A 12 7.353 0.268 3.035 1.00 24.04 C ATOM 84 O SER A 12 6.387 -0.064 2.350 1.00 12.31 O ATOM 85 CB SER A 12 7.657 0.242 5.518 1.00 15.35 C ATOM 86 OG SER A 12 6.354 0.124 6.063 1.00 54.21 O ATOM 0 H SER A 12 9.844 -0.291 3.911 1.00 14.05 H new ATOM 0 HA SER A 12 7.144 -1.448 4.295 1.00 33.41 H new ATOM 0 HB2 SER A 12 8.392 -0.100 6.247 1.00 15.35 H new ATOM 0 HB3 SER A 12 7.875 1.290 5.313 1.00 15.35 H new ATOM 0 HG SER A 12 6.295 0.653 6.886 1.00 54.21 H new ATOM 92 N ALA A 13 8.074 1.358 2.791 1.00 10.13 N ATOM 93 CA ALA A 13 7.763 2.245 1.678 1.00 13.11 C ATOM 94 C ALA A 13 7.656 1.469 0.370 1.00 53.31 C ATOM 95 O ALA A 13 8.667 1.093 -0.225 1.00 14.53 O ATOM 96 CB ALA A 13 8.817 3.337 1.561 1.00 33.45 C ATOM 0 H ALA A 13 8.877 1.647 3.349 1.00 10.13 H new ATOM 0 HA ALA A 13 6.796 2.708 1.876 1.00 13.11 H new ATOM 0 HB1 ALA A 13 8.571 3.992 0.725 1.00 33.45 H new ATOM 0 HB2 ALA A 13 8.842 3.919 2.482 1.00 33.45 H new ATOM 0 HB3 ALA A 13 9.794 2.883 1.392 1.00 33.45 H new ATOM 102 N ASP A 14 6.426 1.231 -0.073 1.00 63.21 N ATOM 103 CA ASP A 14 6.188 0.499 -1.312 1.00 34.20 C ATOM 104 C ASP A 14 5.553 1.403 -2.363 1.00 70.05 C ATOM 105 O ASP A 14 5.993 1.441 -3.512 1.00 3.14 O ATOM 106 CB ASP A 14 5.289 -0.710 -1.050 1.00 14.32 C ATOM 107 CG ASP A 14 5.876 -1.997 -1.593 1.00 74.10 C ATOM 108 OD1 ASP A 14 7.101 -2.195 -1.456 1.00 61.32 O ATOM 109 OD2 ASP A 14 5.110 -2.807 -2.155 1.00 75.40 O ATOM 0 H ASP A 14 5.579 1.534 0.407 1.00 63.21 H new ATOM 0 HA ASP A 14 7.149 0.152 -1.691 1.00 34.20 H new ATOM 0 HB2 ASP A 14 5.127 -0.813 0.023 1.00 14.32 H new ATOM 0 HB3 ASP A 14 4.313 -0.539 -1.505 1.00 14.32 H new ATOM 114 N ALA A 15 4.514 2.129 -1.963 1.00 31.10 N ATOM 115 CA ALA A 15 3.818 3.033 -2.870 1.00 24.10 C ATOM 116 C ALA A 15 2.781 3.868 -2.126 1.00 31.33 C ATOM 117 O ALA A 15 1.578 3.697 -2.319 1.00 24.51 O ATOM 118 CB ALA A 15 3.159 2.248 -3.995 1.00 14.11 C ATOM 0 H ALA A 15 4.136 2.108 -1.016 1.00 31.10 H new ATOM 0 HA ALA A 15 4.553 3.714 -3.299 1.00 24.10 H new ATOM 0 HB1 ALA A 15 2.643 2.936 -4.665 1.00 14.11 H new ATOM 0 HB2 ALA A 15 3.920 1.702 -4.552 1.00 14.11 H new ATOM 0 HB3 ALA A 15 2.441 1.543 -3.575 1.00 14.11 H new ATOM 124 N GLY A 16 3.256 4.770 -1.273 1.00 12.44 N ATOM 125 CA GLY A 16 2.355 5.616 -0.511 1.00 44.51 C ATOM 126 C GLY A 16 1.340 6.320 -1.390 1.00 12.22 C ATOM 127 O GLY A 16 0.174 6.451 -1.020 1.00 41.10 O ATOM 0 H GLY A 16 4.248 4.930 -1.096 1.00 12.44 H new ATOM 0 HA2 GLY A 16 1.832 5.011 0.230 1.00 44.51 H new ATOM 0 HA3 GLY A 16 2.935 6.359 0.036 1.00 44.51 H new ATOM 131 N GLY A 17 1.785 6.777 -2.556 1.00 54.54 N ATOM 132 CA GLY A 17 0.894 7.468 -3.471 1.00 35.34 C ATOM 133 C GLY A 17 -0.076 6.526 -4.157 1.00 4.22 C ATOM 134 O GLY A 17 0.034 5.308 -4.028 1.00 14.35 O ATOM 0 H GLY A 17 2.746 6.681 -2.884 1.00 54.54 H new ATOM 0 HA2 GLY A 17 0.334 8.227 -2.925 1.00 35.34 H new ATOM 0 HA3 GLY A 17 1.485 7.989 -4.225 1.00 35.34 H new ATOM 138 N GLY A 18 -1.031 7.093 -4.890 1.00 21.04 N ATOM 139 CA GLY A 18 -2.011 6.282 -5.587 1.00 71.21 C ATOM 140 C GLY A 18 -2.533 6.953 -6.841 1.00 45.24 C ATOM 141 O GLY A 18 -2.438 8.171 -6.987 1.00 0.15 O ATOM 0 H GLY A 18 -1.142 8.099 -5.013 1.00 21.04 H new ATOM 0 HA2 GLY A 18 -1.563 5.324 -5.851 1.00 71.21 H new ATOM 0 HA3 GLY A 18 -2.845 6.071 -4.918 1.00 71.21 H new ATOM 145 N SER A 19 -3.084 6.156 -7.751 1.00 64.43 N ATOM 146 CA SER A 19 -3.617 6.679 -9.004 1.00 14.42 C ATOM 147 C SER A 19 -4.749 5.799 -9.523 1.00 23.51 C ATOM 148 O SER A 19 -5.703 6.285 -10.128 1.00 2.34 O ATOM 149 CB SER A 19 -2.509 6.778 -10.053 1.00 63.34 C ATOM 150 OG SER A 19 -2.444 5.599 -10.837 1.00 65.42 O ATOM 0 H SER A 19 -3.173 5.146 -7.644 1.00 64.43 H new ATOM 0 HA SER A 19 -4.015 7.676 -8.812 1.00 14.42 H new ATOM 0 HB2 SER A 19 -2.690 7.638 -10.698 1.00 63.34 H new ATOM 0 HB3 SER A 19 -1.551 6.945 -9.560 1.00 63.34 H new ATOM 0 HG SER A 19 -1.729 5.687 -11.502 1.00 65.42 H new ATOM 156 N GLY A 20 -4.635 4.496 -9.281 1.00 1.31 N ATOM 157 CA GLY A 20 -5.655 3.566 -9.730 1.00 65.51 C ATOM 158 C GLY A 20 -5.759 2.345 -8.838 1.00 70.31 C ATOM 159 O GLY A 20 -6.571 2.312 -7.912 1.00 65.15 O ATOM 0 H GLY A 20 -3.855 4.068 -8.782 1.00 1.31 H new ATOM 0 HA2 GLY A 20 -6.619 4.074 -9.759 1.00 65.51 H new ATOM 0 HA3 GLY A 20 -5.431 3.250 -10.749 1.00 65.51 H new ATOM 163 N TRP A 21 -4.938 1.339 -9.117 1.00 71.43 N ATOM 164 CA TRP A 21 -4.944 0.108 -8.334 1.00 4.33 C ATOM 165 C TRP A 21 -4.642 0.396 -6.866 1.00 44.14 C ATOM 166 O TRP A 21 -5.043 -0.359 -5.980 1.00 72.30 O ATOM 167 CB TRP A 21 -3.920 -0.881 -8.892 1.00 63.23 C ATOM 168 CG TRP A 21 -2.741 -0.216 -9.536 1.00 11.55 C ATOM 169 CD1 TRP A 21 -2.040 0.853 -9.055 1.00 63.51 C ATOM 170 CD2 TRP A 21 -2.128 -0.575 -10.779 1.00 44.31 C ATOM 171 NE1 TRP A 21 -1.027 1.180 -9.924 1.00 51.05 N ATOM 172 CE2 TRP A 21 -1.059 0.319 -10.989 1.00 62.13 C ATOM 173 CE3 TRP A 21 -2.375 -1.565 -11.733 1.00 32.33 C ATOM 174 CZ2 TRP A 21 -0.242 0.250 -12.115 1.00 60.12 C ATOM 175 CZ3 TRP A 21 -1.563 -1.632 -12.850 1.00 35.01 C ATOM 176 CH2 TRP A 21 -0.508 -0.729 -13.033 1.00 51.32 C ATOM 0 H TRP A 21 -4.260 1.351 -9.879 1.00 71.43 H new ATOM 0 HA TRP A 21 -5.939 -0.332 -8.403 1.00 4.33 H new ATOM 0 HB2 TRP A 21 -3.569 -1.524 -8.085 1.00 63.23 H new ATOM 0 HB3 TRP A 21 -4.409 -1.525 -9.623 1.00 63.23 H new ATOM 0 HD1 TRP A 21 -2.251 1.366 -8.128 1.00 63.51 H new ATOM 0 HE1 TRP A 21 -0.359 1.941 -9.797 1.00 51.05 H new ATOM 0 HE3 TRP A 21 -3.186 -2.266 -11.600 1.00 32.33 H new ATOM 0 HZ2 TRP A 21 0.572 0.945 -12.258 1.00 60.12 H new ATOM 0 HZ3 TRP A 21 -1.745 -2.393 -13.594 1.00 35.01 H new ATOM 0 HH2 TRP A 21 0.108 -0.807 -13.917 1.00 51.32 H new ATOM 187 N LEU A 22 -3.934 1.492 -6.616 1.00 52.23 N ATOM 188 CA LEU A 22 -3.580 1.880 -5.255 1.00 65.23 C ATOM 189 C LEU A 22 -4.816 2.305 -4.471 1.00 13.30 C ATOM 190 O LEU A 22 -4.717 2.745 -3.325 1.00 52.40 O ATOM 191 CB LEU A 22 -2.558 3.019 -5.279 1.00 35.24 C ATOM 192 CG LEU A 22 -1.157 2.655 -5.769 1.00 33.32 C ATOM 193 CD1 LEU A 22 -0.958 1.148 -5.744 1.00 23.31 C ATOM 194 CD2 LEU A 22 -0.923 3.203 -7.169 1.00 71.22 C ATOM 0 H LEU A 22 -3.594 2.128 -7.338 1.00 52.23 H new ATOM 0 HA LEU A 22 -3.139 1.015 -4.759 1.00 65.23 H new ATOM 0 HB2 LEU A 22 -2.947 3.816 -5.913 1.00 35.24 H new ATOM 0 HB3 LEU A 22 -2.474 3.426 -4.271 1.00 35.24 H new ATOM 0 HG LEU A 22 -0.428 3.108 -5.097 1.00 33.32 H new ATOM 0 HD11 LEU A 22 0.045 0.908 -6.096 1.00 23.31 H new ATOM 0 HD12 LEU A 22 -1.082 0.781 -4.725 1.00 23.31 H new ATOM 0 HD13 LEU A 22 -1.694 0.673 -6.393 1.00 23.31 H new ATOM 0 HD21 LEU A 22 0.080 2.934 -7.502 1.00 71.22 H new ATOM 0 HD22 LEU A 22 -1.658 2.779 -7.853 1.00 71.22 H new ATOM 0 HD23 LEU A 22 -1.022 4.288 -7.156 1.00 71.22 H new ATOM 206 N THR A 23 -5.982 2.169 -5.094 1.00 54.33 N ATOM 207 CA THR A 23 -7.239 2.539 -4.455 1.00 21.31 C ATOM 208 C THR A 23 -7.675 1.480 -3.448 1.00 0.22 C ATOM 209 O THR A 23 -8.827 1.455 -3.019 1.00 74.10 O ATOM 210 CB THR A 23 -8.360 2.738 -5.492 1.00 21.11 C ATOM 211 OG1 THR A 23 -8.461 1.583 -6.331 1.00 63.41 O ATOM 212 CG2 THR A 23 -8.095 3.969 -6.345 1.00 12.14 C ATOM 0 H THR A 23 -6.082 1.805 -6.042 1.00 54.33 H new ATOM 0 HA THR A 23 -7.065 3.481 -3.936 1.00 21.31 H new ATOM 0 HB THR A 23 -9.299 2.881 -4.957 1.00 21.11 H new ATOM 0 HG1 THR A 23 -8.064 1.778 -7.205 1.00 63.41 H new ATOM 0 HG21 THR A 23 -8.900 4.089 -7.070 1.00 12.14 H new ATOM 0 HG22 THR A 23 -8.047 4.851 -5.706 1.00 12.14 H new ATOM 0 HG23 THR A 23 -7.148 3.850 -6.871 1.00 12.14 H new ATOM 220 N GLY A 24 -6.744 0.606 -3.074 1.00 73.13 N ATOM 221 CA GLY A 24 -7.053 -0.443 -2.120 1.00 55.32 C ATOM 222 C GLY A 24 -6.847 -1.829 -2.696 1.00 42.11 C ATOM 223 O GLY A 24 -7.745 -2.669 -2.646 1.00 73.33 O ATOM 0 H GLY A 24 -5.783 0.606 -3.415 1.00 73.13 H new ATOM 0 HA2 GLY A 24 -6.426 -0.323 -1.237 1.00 55.32 H new ATOM 0 HA3 GLY A 24 -8.087 -0.339 -1.793 1.00 55.32 H new ATOM 227 N TRP A 25 -5.662 -2.070 -3.244 1.00 42.13 N ATOM 228 CA TRP A 25 -5.341 -3.365 -3.834 1.00 40.25 C ATOM 229 C TRP A 25 -4.037 -3.913 -3.265 1.00 62.34 C ATOM 230 O TRP A 25 -3.228 -4.495 -3.990 1.00 72.52 O ATOM 231 CB TRP A 25 -5.236 -3.243 -5.355 1.00 73.25 C ATOM 232 CG TRP A 25 -3.850 -2.938 -5.834 1.00 31.24 C ATOM 233 CD1 TRP A 25 -3.058 -1.896 -5.442 1.00 42.03 C ATOM 234 CD2 TRP A 25 -3.092 -3.681 -6.795 1.00 2.03 C ATOM 235 NE1 TRP A 25 -1.853 -1.948 -6.102 1.00 15.52 N ATOM 236 CE2 TRP A 25 -1.849 -3.034 -6.936 1.00 1.40 C ATOM 237 CE3 TRP A 25 -3.341 -4.832 -7.547 1.00 20.11 C ATOM 238 CZ2 TRP A 25 -0.861 -3.499 -7.800 1.00 41.21 C ATOM 239 CZ3 TRP A 25 -2.360 -5.292 -8.404 1.00 22.20 C ATOM 240 CH2 TRP A 25 -1.132 -4.627 -8.525 1.00 74.42 C ATOM 0 H TRP A 25 -4.907 -1.386 -3.292 1.00 42.13 H new ATOM 0 HA TRP A 25 -6.144 -4.059 -3.587 1.00 40.25 H new ATOM 0 HB2 TRP A 25 -5.573 -4.174 -5.811 1.00 73.25 H new ATOM 0 HB3 TRP A 25 -5.911 -2.458 -5.696 1.00 73.25 H new ATOM 0 HD1 TRP A 25 -3.337 -1.143 -4.720 1.00 42.03 H new ATOM 0 HE1 TRP A 25 -1.086 -1.285 -5.989 1.00 15.52 H new ATOM 0 HE3 TRP A 25 -4.283 -5.353 -7.460 1.00 20.11 H new ATOM 0 HZ2 TRP A 25 0.085 -2.987 -7.894 1.00 41.21 H new ATOM 0 HZ3 TRP A 25 -2.542 -6.180 -8.991 1.00 22.20 H new ATOM 0 HH2 TRP A 25 -0.385 -5.013 -9.204 1.00 74.42 H new ATOM 251 N LEU A 26 -3.839 -3.727 -1.965 1.00 41.41 N ATOM 252 CA LEU A 26 -2.632 -4.204 -1.299 1.00 72.51 C ATOM 253 C LEU A 26 -2.941 -4.668 0.121 1.00 73.23 C ATOM 254 O LEU A 26 -3.967 -4.319 0.705 1.00 34.21 O ATOM 255 CB LEU A 26 -1.572 -3.102 -1.268 1.00 0.31 C ATOM 256 CG LEU A 26 -2.081 -1.690 -0.969 1.00 61.13 C ATOM 257 CD1 LEU A 26 -2.724 -1.082 -2.205 1.00 74.54 C ATOM 258 CD2 LEU A 26 -3.066 -1.713 0.191 1.00 24.13 C ATOM 0 H LEU A 26 -4.499 -3.249 -1.351 1.00 41.41 H new ATOM 0 HA LEU A 26 -2.247 -5.053 -1.864 1.00 72.51 H new ATOM 0 HB2 LEU A 26 -0.826 -3.364 -0.518 1.00 0.31 H new ATOM 0 HB3 LEU A 26 -1.064 -3.087 -2.232 1.00 0.31 H new ATOM 0 HG LEU A 26 -1.231 -1.070 -0.685 1.00 61.13 H new ATOM 0 HD11 LEU A 26 -3.080 -0.078 -1.973 1.00 74.54 H new ATOM 0 HD12 LEU A 26 -1.990 -1.030 -3.009 1.00 74.54 H new ATOM 0 HD13 LEU A 26 -3.564 -1.701 -2.520 1.00 74.54 H new ATOM 0 HD21 LEU A 26 -3.418 -0.701 0.390 1.00 24.13 H new ATOM 0 HD22 LEU A 26 -3.914 -2.348 -0.064 1.00 24.13 H new ATOM 0 HD23 LEU A 26 -2.573 -2.107 1.080 1.00 24.13 H new ATOM 270 N PRO A 27 -2.034 -5.474 0.691 1.00 2.03 N ATOM 271 CA PRO A 27 -2.186 -6.002 2.050 1.00 2.44 C ATOM 272 C PRO A 27 -2.036 -4.917 3.113 1.00 72.33 C ATOM 273 O PRO A 27 -2.061 -3.725 2.806 1.00 1.51 O ATOM 274 CB PRO A 27 -1.051 -7.022 2.164 1.00 13.25 C ATOM 275 CG PRO A 27 -0.026 -6.559 1.188 1.00 22.31 C ATOM 276 CD PRO A 27 -0.788 -5.931 0.054 1.00 65.01 C ATOM 0 HA PRO A 27 -3.176 -6.427 2.214 1.00 2.44 H new ATOM 0 HB2 PRO A 27 -0.648 -7.054 3.176 1.00 13.25 H new ATOM 0 HB3 PRO A 27 -1.397 -8.028 1.927 1.00 13.25 H new ATOM 0 HG2 PRO A 27 0.653 -5.841 1.647 1.00 22.31 H new ATOM 0 HG3 PRO A 27 0.582 -7.392 0.836 1.00 22.31 H new ATOM 0 HD2 PRO A 27 -0.237 -5.102 -0.390 1.00 65.01 H new ATOM 0 HD3 PRO A 27 -0.984 -6.647 -0.744 1.00 65.01 H new ATOM 284 N THR A 28 -1.880 -5.339 4.364 1.00 35.11 N ATOM 285 CA THR A 28 -1.728 -4.404 5.472 1.00 60.51 C ATOM 286 C THR A 28 -0.545 -3.470 5.244 1.00 43.15 C ATOM 287 O THR A 28 -0.418 -2.442 5.908 1.00 1.25 O ATOM 288 CB THR A 28 -1.532 -5.145 6.809 1.00 72.04 C ATOM 289 OG1 THR A 28 -0.274 -5.827 6.811 1.00 63.41 O ATOM 290 CG2 THR A 28 -2.656 -6.142 7.044 1.00 75.34 C ATOM 0 H THR A 28 -1.856 -6.322 4.635 1.00 35.11 H new ATOM 0 HA THR A 28 -2.646 -3.818 5.520 1.00 60.51 H new ATOM 0 HB THR A 28 -1.546 -4.409 7.613 1.00 72.04 H new ATOM 0 HG1 THR A 28 -0.156 -6.294 7.665 1.00 63.41 H new ATOM 0 HG21 THR A 28 -2.496 -6.653 7.993 1.00 75.34 H new ATOM 0 HG22 THR A 28 -3.610 -5.615 7.071 1.00 75.34 H new ATOM 0 HG23 THR A 28 -2.668 -6.873 6.236 1.00 75.34 H new ATOM 298 N TRP A 29 0.317 -3.834 4.301 1.00 75.25 N ATOM 299 CA TRP A 29 1.490 -3.027 3.985 1.00 1.21 C ATOM 300 C TRP A 29 1.086 -1.724 3.305 1.00 41.32 C ATOM 301 O TRP A 29 0.985 -1.658 2.079 1.00 71.42 O ATOM 302 CB TRP A 29 2.447 -3.811 3.087 1.00 72.11 C ATOM 303 CG TRP A 29 2.994 -5.046 3.737 1.00 42.04 C ATOM 304 CD1 TRP A 29 2.298 -5.964 4.470 1.00 53.22 C ATOM 305 CD2 TRP A 29 4.354 -5.496 3.712 1.00 14.22 C ATOM 306 NE1 TRP A 29 3.142 -6.957 4.903 1.00 22.34 N ATOM 307 CE2 TRP A 29 4.409 -6.694 4.451 1.00 34.22 C ATOM 308 CE3 TRP A 29 5.528 -5.005 3.138 1.00 44.41 C ATOM 309 CZ2 TRP A 29 5.593 -7.405 4.630 1.00 54.14 C ATOM 310 CZ3 TRP A 29 6.703 -5.711 3.316 1.00 32.42 C ATOM 311 CH2 TRP A 29 6.728 -6.900 4.056 1.00 31.34 C ATOM 0 H TRP A 29 0.226 -4.682 3.742 1.00 75.25 H new ATOM 0 HA TRP A 29 1.997 -2.785 4.919 1.00 1.21 H new ATOM 0 HB2 TRP A 29 1.927 -4.091 2.171 1.00 72.11 H new ATOM 0 HB3 TRP A 29 3.275 -3.164 2.798 1.00 72.11 H new ATOM 0 HD1 TRP A 29 1.239 -5.916 4.679 1.00 53.22 H new ATOM 0 HE1 TRP A 29 2.870 -7.760 5.469 1.00 22.34 H new ATOM 0 HE3 TRP A 29 5.518 -4.090 2.565 1.00 44.41 H new ATOM 0 HZ2 TRP A 29 5.615 -8.321 5.201 1.00 54.14 H new ATOM 0 HZ3 TRP A 29 7.617 -5.340 2.877 1.00 32.42 H new ATOM 0 HH2 TRP A 29 7.662 -7.429 4.176 1.00 31.34 H new ATOM 322 N CYS A 30 0.857 -0.689 4.105 1.00 30.14 N ATOM 323 CA CYS A 30 0.464 0.614 3.580 1.00 62.25 C ATOM 324 C CYS A 30 0.924 1.735 4.505 1.00 54.21 C ATOM 325 O CYS A 30 0.130 2.345 5.222 1.00 2.30 O ATOM 326 CB CYS A 30 -1.053 0.676 3.396 1.00 33.10 C ATOM 327 SG CYS A 30 -1.607 1.960 2.250 1.00 21.02 S ATOM 0 H CYS A 30 0.937 -0.727 5.121 1.00 30.14 H new ATOM 0 HA CYS A 30 0.946 0.748 2.611 1.00 62.25 H new ATOM 0 HB2 CYS A 30 -1.404 -0.292 3.038 1.00 33.10 H new ATOM 0 HB3 CYS A 30 -1.519 0.845 4.367 1.00 33.10 H new ATOM 0 HG CYS A 30 -2.904 1.931 2.160 1.00 21.02 H new ATOM 333 N PRO A 31 2.235 2.013 4.491 1.00 11.42 N ATOM 334 CA PRO A 31 2.831 3.063 5.324 1.00 32.42 C ATOM 335 C PRO A 31 2.429 4.462 4.869 1.00 13.31 C ATOM 336 O PRO A 31 1.634 4.621 3.942 1.00 5.13 O ATOM 337 CB PRO A 31 4.335 2.852 5.139 1.00 11.14 C ATOM 338 CG PRO A 31 4.464 2.184 3.813 1.00 3.52 C ATOM 339 CD PRO A 31 3.238 1.327 3.660 1.00 22.13 C ATOM 0 HA PRO A 31 2.502 2.996 6.361 1.00 32.42 H new ATOM 0 HB2 PRO A 31 4.873 3.800 5.159 1.00 11.14 H new ATOM 0 HB3 PRO A 31 4.749 2.234 5.936 1.00 11.14 H new ATOM 0 HG2 PRO A 31 4.529 2.919 3.011 1.00 3.52 H new ATOM 0 HG3 PRO A 31 5.370 1.580 3.767 1.00 3.52 H new ATOM 0 HD2 PRO A 31 2.921 1.262 2.619 1.00 22.13 H new ATOM 0 HD3 PRO A 31 3.415 0.308 4.003 1.00 22.13 H new ATOM 347 N THR A 32 2.983 5.475 5.528 1.00 31.11 N ATOM 348 CA THR A 32 2.682 6.861 5.193 1.00 71.13 C ATOM 349 C THR A 32 3.847 7.514 4.459 1.00 63.04 C ATOM 350 O THR A 32 4.123 8.699 4.642 1.00 52.43 O ATOM 351 CB THR A 32 2.356 7.686 6.451 1.00 32.02 C ATOM 352 OG1 THR A 32 2.025 6.813 7.538 1.00 42.53 O ATOM 353 CG2 THR A 32 1.200 8.639 6.190 1.00 55.34 C ATOM 0 H THR A 32 3.643 5.361 6.297 1.00 31.11 H new ATOM 0 HA THR A 32 1.808 6.846 4.542 1.00 71.13 H new ATOM 0 HB THR A 32 3.237 8.272 6.711 1.00 32.02 H new ATOM 0 HG1 THR A 32 1.821 7.346 8.335 1.00 42.53 H new ATOM 0 HG21 THR A 32 0.989 9.211 7.094 1.00 55.34 H new ATOM 0 HG22 THR A 32 1.466 9.321 5.383 1.00 55.34 H new ATOM 0 HG23 THR A 32 0.315 8.069 5.906 1.00 55.34 H new ATOM 361 N SER A 33 4.529 6.733 3.626 1.00 41.14 N ATOM 362 CA SER A 33 5.667 7.237 2.865 1.00 21.41 C ATOM 363 C SER A 33 5.200 8.038 1.654 1.00 54.31 C ATOM 364 O SER A 33 4.904 7.476 0.599 1.00 1.10 O ATOM 365 CB SER A 33 6.556 6.077 2.411 1.00 30.33 C ATOM 366 OG SER A 33 7.904 6.491 2.276 1.00 60.10 O ATOM 0 H SER A 33 4.313 5.750 3.461 1.00 41.14 H new ATOM 0 HA SER A 33 6.243 7.896 3.514 1.00 21.41 H new ATOM 0 HB2 SER A 33 6.493 5.262 3.132 1.00 30.33 H new ATOM 0 HB3 SER A 33 6.194 5.688 1.459 1.00 30.33 H new ATOM 0 HG SER A 33 8.296 6.075 1.480 1.00 60.10 H new ATOM 372 N THR A 34 5.136 9.357 1.813 1.00 22.43 N ATOM 373 CA THR A 34 4.705 10.237 0.736 1.00 63.52 C ATOM 374 C THR A 34 5.511 9.987 -0.534 1.00 54.15 C ATOM 375 O THR A 34 4.981 9.495 -1.530 1.00 53.43 O ATOM 376 CB THR A 34 4.840 11.719 1.132 1.00 40.10 C ATOM 377 OG1 THR A 34 4.336 11.919 2.457 1.00 33.10 O ATOM 378 CG2 THR A 34 4.087 12.611 0.157 1.00 73.35 C ATOM 0 H THR A 34 5.378 9.838 2.679 1.00 22.43 H new ATOM 0 HA THR A 34 3.655 10.014 0.547 1.00 63.52 H new ATOM 0 HB THR A 34 5.896 11.986 1.101 1.00 40.10 H new ATOM 0 HG1 THR A 34 4.427 12.863 2.702 1.00 33.10 H new ATOM 0 HG21 THR A 34 4.197 13.653 0.458 1.00 73.35 H new ATOM 0 HG22 THR A 34 4.493 12.478 -0.846 1.00 73.35 H new ATOM 0 HG23 THR A 34 3.031 12.342 0.160 1.00 73.35 H new ATOM 386 N SER A 35 6.795 10.329 -0.492 1.00 30.14 N ATOM 387 CA SER A 35 7.673 10.144 -1.641 1.00 24.05 C ATOM 388 C SER A 35 9.092 10.601 -1.319 1.00 4.35 C ATOM 389 O SER A 35 9.992 9.784 -1.121 1.00 33.53 O ATOM 390 CB SER A 35 7.138 10.916 -2.848 1.00 72.32 C ATOM 391 OG SER A 35 8.126 11.033 -3.858 1.00 1.00 O ATOM 0 H SER A 35 7.250 10.736 0.325 1.00 30.14 H new ATOM 0 HA SER A 35 7.698 9.081 -1.881 1.00 24.05 H new ATOM 0 HB2 SER A 35 6.262 10.407 -3.250 1.00 72.32 H new ATOM 0 HB3 SER A 35 6.815 11.909 -2.535 1.00 72.32 H new ATOM 0 HG SER A 35 7.759 11.529 -4.619 1.00 1.00 H new ATOM 397 N HIS A 36 9.286 11.916 -1.268 1.00 20.42 N ATOM 398 CA HIS A 36 10.596 12.484 -0.969 1.00 54.11 C ATOM 399 C HIS A 36 10.529 14.008 -0.919 1.00 72.40 C ATOM 400 O HIS A 36 10.569 14.606 0.157 1.00 52.34 O ATOM 401 CB HIS A 36 11.618 12.042 -2.016 1.00 44.05 C ATOM 402 CG HIS A 36 12.943 12.730 -1.889 1.00 11.33 C ATOM 403 ND1 HIS A 36 13.738 13.039 -2.972 1.00 74.24 N ATOM 404 CD2 HIS A 36 13.610 13.171 -0.797 1.00 13.24 C ATOM 405 CE1 HIS A 36 14.837 13.639 -2.552 1.00 63.51 C ATOM 406 NE2 HIS A 36 14.783 13.731 -1.235 1.00 45.03 N ATOM 0 H HIS A 36 8.553 12.607 -1.430 1.00 20.42 H new ATOM 0 HA HIS A 36 10.908 12.119 0.009 1.00 54.11 H new ATOM 0 HB2 HIS A 36 11.768 10.965 -1.934 1.00 44.05 H new ATOM 0 HB3 HIS A 36 11.213 12.232 -3.010 1.00 44.05 H new ATOM 0 HD2 HIS A 36 13.280 13.096 0.229 1.00 13.24 H new ATOM 0 HE1 HIS A 36 15.642 13.994 -3.178 1.00 63.51 H new ATOM 0 HE2 HIS A 36 15.498 14.150 -0.640 1.00 45.03 H new ATOM 414 N LEU A 37 10.427 14.629 -2.088 1.00 70.12 N ATOM 415 CA LEU A 37 10.354 16.083 -2.179 1.00 4.44 C ATOM 416 C LEU A 37 8.907 16.549 -2.313 1.00 3.35 C ATOM 417 O LEU A 37 8.502 17.058 -3.358 1.00 33.43 O ATOM 418 CB LEU A 37 11.175 16.582 -3.369 1.00 52.33 C ATOM 419 CG LEU A 37 12.692 16.587 -3.183 1.00 64.15 C ATOM 420 CD1 LEU A 37 13.387 16.974 -4.480 1.00 3.35 C ATOM 421 CD2 LEU A 37 13.089 17.533 -2.060 1.00 11.42 C ATOM 0 H LEU A 37 10.393 14.148 -2.987 1.00 70.12 H new ATOM 0 HA LEU A 37 10.767 16.500 -1.261 1.00 4.44 H new ATOM 0 HB2 LEU A 37 10.937 15.963 -4.234 1.00 52.33 H new ATOM 0 HB3 LEU A 37 10.855 17.597 -3.606 1.00 52.33 H new ATOM 0 HG LEU A 37 13.009 15.580 -2.911 1.00 64.15 H new ATOM 0 HD11 LEU A 37 14.466 16.972 -4.329 1.00 3.35 H new ATOM 0 HD12 LEU A 37 13.129 16.257 -5.259 1.00 3.35 H new ATOM 0 HD13 LEU A 37 13.065 17.970 -4.782 1.00 3.35 H new ATOM 0 HD21 LEU A 37 14.173 17.523 -1.942 1.00 11.42 H new ATOM 0 HD22 LEU A 37 12.759 18.543 -2.302 1.00 11.42 H new ATOM 0 HD23 LEU A 37 12.620 17.211 -1.130 1.00 11.42 H new ATOM 433 N LYS A 38 8.135 16.374 -1.246 1.00 75.01 N ATOM 434 CA LYS A 38 6.734 16.780 -1.242 1.00 20.44 C ATOM 435 C LYS A 38 6.589 18.240 -1.658 1.00 73.30 C ATOM 436 O LYS A 38 7.471 19.058 -1.401 1.00 34.51 O ATOM 437 CB LYS A 38 6.125 16.571 0.148 1.00 64.30 C ATOM 438 CG LYS A 38 6.703 17.492 1.208 1.00 10.12 C ATOM 439 CD LYS A 38 6.105 17.210 2.576 1.00 11.42 C ATOM 440 CE LYS A 38 7.016 17.697 3.693 1.00 14.15 C ATOM 441 NZ LYS A 38 6.589 19.024 4.218 1.00 34.45 N ATOM 0 H LYS A 38 8.455 15.954 -0.373 1.00 75.01 H new ATOM 0 HA LYS A 38 6.200 16.161 -1.963 1.00 20.44 H new ATOM 0 HB2 LYS A 38 5.048 16.727 0.091 1.00 64.30 H new ATOM 0 HB3 LYS A 38 6.282 15.536 0.453 1.00 64.30 H new ATOM 0 HG2 LYS A 38 7.785 17.367 1.250 1.00 10.12 H new ATOM 0 HG3 LYS A 38 6.513 18.529 0.933 1.00 10.12 H new ATOM 0 HD2 LYS A 38 5.134 17.699 2.658 1.00 11.42 H new ATOM 0 HD3 LYS A 38 5.933 16.139 2.686 1.00 11.42 H new ATOM 0 HE2 LYS A 38 7.017 16.969 4.504 1.00 14.15 H new ATOM 0 HE3 LYS A 38 8.039 17.765 3.324 1.00 14.15 H new ATOM 0 HZ1 LYS A 38 7.235 19.321 4.977 1.00 34.45 H new ATOM 0 HZ2 LYS A 38 6.612 19.725 3.450 1.00 34.45 H new ATOM 0 HZ3 LYS A 38 5.622 18.954 4.594 1.00 34.45 H new ATOM 455 N GLU A 39 5.469 18.559 -2.300 1.00 33.42 N ATOM 456 CA GLU A 39 5.209 19.921 -2.751 1.00 3.24 C ATOM 457 C GLU A 39 3.714 20.155 -2.942 1.00 14.15 C ATOM 458 O GLU A 39 3.026 19.357 -3.577 1.00 32.33 O ATOM 459 CB GLU A 39 5.952 20.200 -4.060 1.00 32.45 C ATOM 460 CG GLU A 39 5.570 19.255 -5.187 1.00 44.31 C ATOM 461 CD GLU A 39 6.390 19.486 -6.442 1.00 64.10 C ATOM 462 OE1 GLU A 39 7.624 19.296 -6.389 1.00 54.24 O ATOM 463 OE2 GLU A 39 5.798 19.855 -7.478 1.00 32.22 O ATOM 0 H GLU A 39 4.728 17.893 -2.519 1.00 33.42 H new ATOM 0 HA GLU A 39 5.571 20.605 -1.984 1.00 3.24 H new ATOM 0 HB2 GLU A 39 5.750 21.225 -4.372 1.00 32.45 H new ATOM 0 HB3 GLU A 39 7.025 20.126 -3.882 1.00 32.45 H new ATOM 0 HG2 GLU A 39 5.703 18.226 -4.854 1.00 44.31 H new ATOM 0 HG3 GLU A 39 4.513 19.381 -5.420 1.00 44.31 H new ATOM 470 N ALA A 40 3.217 21.256 -2.386 1.00 43.13 N ATOM 471 CA ALA A 40 1.805 21.596 -2.496 1.00 52.42 C ATOM 472 C ALA A 40 1.505 22.926 -1.811 1.00 65.22 C ATOM 473 O ALA A 40 2.398 23.558 -1.248 1.00 42.12 O ATOM 474 CB ALA A 40 0.947 20.490 -1.902 1.00 21.23 C ATOM 0 H ALA A 40 3.772 21.927 -1.855 1.00 43.13 H new ATOM 0 HA ALA A 40 1.564 21.699 -3.554 1.00 52.42 H new ATOM 0 HB1 ALA A 40 -0.106 20.758 -1.991 1.00 21.23 H new ATOM 0 HB2 ALA A 40 1.131 19.559 -2.438 1.00 21.23 H new ATOM 0 HB3 ALA A 40 1.200 20.359 -0.850 1.00 21.23 H new ATOM 480 N GLU A 41 0.245 23.343 -1.865 1.00 13.22 N ATOM 481 CA GLU A 41 -0.170 24.599 -1.250 1.00 53.53 C ATOM 482 C GLU A 41 0.526 25.785 -1.912 1.00 3.35 C ATOM 483 O GLU A 41 1.711 26.027 -1.684 1.00 53.03 O ATOM 484 CB GLU A 41 0.136 24.584 0.249 1.00 5.41 C ATOM 485 CG GLU A 41 -0.280 23.299 0.943 1.00 63.33 C ATOM 486 CD GLU A 41 -0.718 23.525 2.376 1.00 4.45 C ATOM 487 OE1 GLU A 41 0.153 23.810 3.224 1.00 3.22 O ATOM 488 OE2 GLU A 41 -1.931 23.417 2.651 1.00 34.33 O ATOM 0 H GLU A 41 -0.506 22.831 -2.328 1.00 13.22 H new ATOM 0 HA GLU A 41 -1.245 24.706 -1.392 1.00 53.53 H new ATOM 0 HB2 GLU A 41 1.206 24.735 0.394 1.00 5.41 H new ATOM 0 HB3 GLU A 41 -0.372 25.424 0.723 1.00 5.41 H new ATOM 0 HG2 GLU A 41 -1.096 22.838 0.386 1.00 63.33 H new ATOM 0 HG3 GLU A 41 0.553 22.597 0.928 1.00 63.33 H new ATOM 495 N GLU A 42 -0.219 26.520 -2.731 1.00 60.45 N ATOM 496 CA GLU A 42 0.327 27.679 -3.426 1.00 63.25 C ATOM 497 C GLU A 42 -0.256 28.974 -2.867 1.00 11.10 C ATOM 498 O GLU A 42 -1.430 29.281 -3.074 1.00 60.21 O ATOM 499 CB GLU A 42 0.040 27.584 -4.926 1.00 54.43 C ATOM 500 CG GLU A 42 1.280 27.342 -5.770 1.00 51.23 C ATOM 501 CD GLU A 42 1.838 28.619 -6.367 1.00 2.33 C ATOM 502 OE1 GLU A 42 1.049 29.408 -6.927 1.00 73.25 O ATOM 503 OE2 GLU A 42 3.065 28.830 -6.273 1.00 2.13 O ATOM 0 H GLU A 42 -1.202 26.333 -2.929 1.00 60.45 H new ATOM 0 HA GLU A 42 1.406 27.689 -3.269 1.00 63.25 H new ATOM 0 HB2 GLU A 42 -0.671 26.777 -5.101 1.00 54.43 H new ATOM 0 HB3 GLU A 42 -0.438 28.507 -5.255 1.00 54.43 H new ATOM 0 HG2 GLU A 42 2.046 26.868 -5.156 1.00 51.23 H new ATOM 0 HG3 GLU A 42 1.038 26.645 -6.573 1.00 51.23 H new ATOM 510 N LYS A 43 0.574 29.730 -2.155 1.00 73.24 N ATOM 511 CA LYS A 43 0.143 30.992 -1.565 1.00 63.21 C ATOM 512 C LYS A 43 -1.127 30.802 -0.743 1.00 11.43 C ATOM 513 O LYS A 43 -1.429 29.676 -0.352 1.00 54.44 O ATOM 514 CB LYS A 43 -0.094 32.035 -2.659 1.00 4.11 C ATOM 515 CG LYS A 43 0.647 33.340 -2.426 1.00 3.32 C ATOM 516 CD LYS A 43 0.114 34.075 -1.208 1.00 63.14 C ATOM 517 CE LYS A 43 1.233 34.750 -0.430 1.00 0.51 C ATOM 518 NZ LYS A 43 1.138 36.235 -0.497 1.00 62.43 N ATOM 0 H LYS A 43 1.549 29.490 -1.973 1.00 73.24 H new ATOM 0 HA LYS A 43 0.933 31.344 -0.902 1.00 63.21 H new ATOM 0 HB2 LYS A 43 0.213 31.619 -3.619 1.00 4.11 H new ATOM 0 HB3 LYS A 43 -1.162 32.241 -2.728 1.00 4.11 H new ATOM 0 HG2 LYS A 43 1.710 33.137 -2.293 1.00 3.32 H new ATOM 0 HG3 LYS A 43 0.551 33.976 -3.306 1.00 3.32 H new ATOM 0 HD2 LYS A 43 -0.614 34.823 -1.523 1.00 63.14 H new ATOM 0 HD3 LYS A 43 -0.410 33.373 -0.559 1.00 63.14 H new ATOM 0 HE2 LYS A 43 1.195 34.430 0.611 1.00 0.51 H new ATOM 0 HE3 LYS A 43 2.196 34.429 -0.827 1.00 0.51 H new ATOM 0 HZ1 LYS A 43 1.918 36.658 0.045 1.00 62.43 H new ATOM 0 HZ2 LYS A 43 1.199 36.542 -1.489 1.00 62.43 H new ATOM 0 HZ3 LYS A 43 0.230 36.543 -0.095 1.00 62.43 H new TER 532 LYS A 43