USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=12 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 -113:sc= -0.564 (180deg=-4.66!) 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 -101: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= 0.00588 USER MOD Single : A 33 SER OG : rot 160:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.339 K(o=-0.34,f=-0.98) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.124) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 3.085 -17.579 9.118 1.00 2.12 N ATOM 2 CA GLY A 5 4.520 -17.673 8.926 1.00 45.32 C ATOM 3 C GLY A 5 5.133 -16.360 8.481 1.00 74.04 C ATOM 4 O GLY A 5 6.227 -16.000 8.914 1.00 73.14 O ATOM 0 HA2 GLY A 5 4.988 -17.992 9.857 1.00 45.32 H new ATOM 0 HA3 GLY A 5 4.734 -18.441 8.183 1.00 45.32 H new ATOM 8 N ALA A 6 4.427 -15.644 7.612 1.00 72.23 N ATOM 9 CA ALA A 6 4.909 -14.365 7.108 1.00 11.33 C ATOM 10 C ALA A 6 5.097 -13.363 8.242 1.00 12.42 C ATOM 11 O ALA A 6 4.634 -13.584 9.361 1.00 72.11 O ATOM 12 CB ALA A 6 3.946 -13.811 6.068 1.00 74.33 C ATOM 0 H ALA A 6 3.520 -15.928 7.243 1.00 72.23 H new ATOM 0 HA ALA A 6 5.879 -14.530 6.639 1.00 11.33 H new ATOM 0 HB1 ALA A 6 4.318 -12.855 5.700 1.00 74.33 H new ATOM 0 HB2 ALA A 6 3.864 -14.513 5.238 1.00 74.33 H new ATOM 0 HB3 ALA A 6 2.965 -13.668 6.520 1.00 74.33 H new ATOM 18 N MET A 7 5.780 -12.262 7.945 1.00 44.05 N ATOM 19 CA MET A 7 6.029 -11.227 8.942 1.00 22.14 C ATOM 20 C MET A 7 5.631 -9.853 8.410 1.00 51.34 C ATOM 21 O MET A 7 5.026 -9.741 7.344 1.00 4.15 O ATOM 22 CB MET A 7 7.504 -11.222 9.347 1.00 61.12 C ATOM 23 CG MET A 7 8.019 -12.584 9.784 1.00 35.51 C ATOM 24 SD MET A 7 7.362 -13.094 11.383 1.00 73.05 S ATOM 25 CE MET A 7 7.517 -14.875 11.260 1.00 2.53 C ATOM 0 H MET A 7 6.170 -12.064 7.024 1.00 44.05 H new ATOM 0 HA MET A 7 5.420 -11.449 9.819 1.00 22.14 H new ATOM 0 HB2 MET A 7 8.102 -10.869 8.507 1.00 61.12 H new ATOM 0 HB3 MET A 7 7.647 -10.511 10.160 1.00 61.12 H new ATOM 0 HG2 MET A 7 7.753 -13.327 9.032 1.00 35.51 H new ATOM 0 HG3 MET A 7 9.108 -12.558 9.834 1.00 35.51 H new ATOM 0 HE1 MET A 7 6.525 -15.325 11.230 1.00 2.53 H new ATOM 0 HE2 MET A 7 8.059 -15.131 10.350 1.00 2.53 H new ATOM 0 HE3 MET A 7 8.062 -15.253 12.125 1.00 2.53 H new ATOM 35 N GLY A 8 5.978 -8.810 9.158 1.00 21.23 N ATOM 36 CA GLY A 8 5.648 -7.458 8.745 1.00 63.15 C ATOM 37 C GLY A 8 6.878 -6.640 8.404 1.00 24.44 C ATOM 38 O GLY A 8 7.077 -6.255 7.252 1.00 64.51 O ATOM 0 H GLY A 8 6.482 -8.877 10.042 1.00 21.23 H new ATOM 0 HA2 GLY A 8 4.989 -7.497 7.877 1.00 63.15 H new ATOM 0 HA3 GLY A 8 5.095 -6.962 9.543 1.00 63.15 H new ATOM 42 N SER A 9 7.705 -6.373 9.410 1.00 50.51 N ATOM 43 CA SER A 9 8.919 -5.589 9.213 1.00 32.11 C ATOM 44 C SER A 9 8.584 -4.171 8.763 1.00 60.02 C ATOM 45 O SER A 9 7.465 -3.892 8.333 1.00 23.10 O ATOM 46 CB SER A 9 9.824 -6.264 8.180 1.00 3.20 C ATOM 47 OG SER A 9 11.097 -6.554 8.730 1.00 50.54 O ATOM 0 H SER A 9 7.557 -6.688 10.369 1.00 50.51 H new ATOM 0 HA SER A 9 9.445 -5.533 10.166 1.00 32.11 H new ATOM 0 HB2 SER A 9 9.357 -7.185 7.829 1.00 3.20 H new ATOM 0 HB3 SER A 9 9.939 -5.614 7.312 1.00 3.20 H new ATOM 0 HG SER A 9 11.656 -6.986 8.051 1.00 50.54 H new ATOM 53 N VAL A 10 9.563 -3.277 8.865 1.00 63.22 N ATOM 54 CA VAL A 10 9.374 -1.887 8.468 1.00 32.52 C ATOM 55 C VAL A 10 9.717 -1.684 6.996 1.00 40.21 C ATOM 56 O VAL A 10 10.604 -2.347 6.459 1.00 14.41 O ATOM 57 CB VAL A 10 10.236 -0.937 9.321 1.00 34.31 C ATOM 58 CG1 VAL A 10 9.935 -1.127 10.800 1.00 64.22 C ATOM 59 CG2 VAL A 10 11.713 -1.159 9.036 1.00 14.23 C ATOM 0 H VAL A 10 10.495 -3.491 9.219 1.00 63.22 H new ATOM 0 HA VAL A 10 8.322 -1.653 8.628 1.00 32.52 H new ATOM 0 HB VAL A 10 9.988 0.090 9.054 1.00 34.31 H new ATOM 0 HG11 VAL A 10 10.553 -0.448 11.387 1.00 64.22 H new ATOM 0 HG12 VAL A 10 8.883 -0.914 10.987 1.00 64.22 H new ATOM 0 HG13 VAL A 10 10.153 -2.156 11.087 1.00 64.22 H new ATOM 0 HG21 VAL A 10 12.308 -0.480 9.647 1.00 14.23 H new ATOM 0 HG22 VAL A 10 11.979 -2.189 9.275 1.00 14.23 H new ATOM 0 HG23 VAL A 10 11.913 -0.968 7.982 1.00 14.23 H new ATOM 69 N ASP A 11 9.010 -0.763 6.351 1.00 61.32 N ATOM 70 CA ASP A 11 9.241 -0.471 4.941 1.00 73.34 C ATOM 71 C ASP A 11 9.676 0.979 4.751 1.00 22.20 C ATOM 72 O ASP A 11 9.692 1.762 5.700 1.00 33.21 O ATOM 73 CB ASP A 11 7.976 -0.748 4.127 1.00 50.14 C ATOM 74 CG ASP A 11 8.281 -1.100 2.684 1.00 4.21 C ATOM 75 OD1 ASP A 11 9.134 -1.984 2.457 1.00 15.13 O ATOM 76 OD2 ASP A 11 7.667 -0.492 1.783 1.00 64.02 O ATOM 0 H ASP A 11 8.272 -0.206 6.782 1.00 61.32 H new ATOM 0 HA ASP A 11 10.041 -1.121 4.587 1.00 73.34 H new ATOM 0 HB2 ASP A 11 7.423 -1.566 4.588 1.00 50.14 H new ATOM 0 HB3 ASP A 11 7.330 0.130 4.155 1.00 50.14 H new ATOM 81 N SER A 12 10.031 1.328 3.518 1.00 64.30 N ATOM 82 CA SER A 12 10.471 2.681 3.204 1.00 40.51 C ATOM 83 C SER A 12 9.470 3.380 2.289 1.00 1.02 C ATOM 84 O SER A 12 8.802 4.332 2.694 1.00 72.54 O ATOM 85 CB SER A 12 11.850 2.652 2.542 1.00 64.43 C ATOM 86 OG SER A 12 12.404 3.953 2.458 1.00 54.23 O ATOM 0 H SER A 12 10.022 0.692 2.721 1.00 64.30 H new ATOM 0 HA SER A 12 10.536 3.240 4.137 1.00 40.51 H new ATOM 0 HB2 SER A 12 12.517 2.006 3.113 1.00 64.43 H new ATOM 0 HB3 SER A 12 11.768 2.223 1.543 1.00 64.43 H new ATOM 0 HG SER A 12 13.286 3.906 2.033 1.00 54.23 H new ATOM 92 N ALA A 13 9.373 2.901 1.053 1.00 3.12 N ATOM 93 CA ALA A 13 8.453 3.477 0.081 1.00 42.21 C ATOM 94 C ALA A 13 8.806 4.931 -0.214 1.00 32.43 C ATOM 95 O ALA A 13 8.514 5.823 0.581 1.00 1.33 O ATOM 96 CB ALA A 13 7.020 3.370 0.582 1.00 52.14 C ATOM 0 H ALA A 13 9.921 2.115 0.702 1.00 3.12 H new ATOM 0 HA ALA A 13 8.544 2.913 -0.847 1.00 42.21 H new ATOM 0 HB1 ALA A 13 6.344 3.804 -0.154 1.00 52.14 H new ATOM 0 HB2 ALA A 13 6.765 2.321 0.735 1.00 52.14 H new ATOM 0 HB3 ALA A 13 6.923 3.908 1.525 1.00 52.14 H new ATOM 102 N ASP A 14 9.435 5.161 -1.362 1.00 45.20 N ATOM 103 CA ASP A 14 9.827 6.508 -1.761 1.00 74.41 C ATOM 104 C ASP A 14 8.623 7.444 -1.770 1.00 3.13 C ATOM 105 O ASP A 14 8.622 8.475 -1.099 1.00 12.51 O ATOM 106 CB ASP A 14 10.479 6.482 -3.144 1.00 35.30 C ATOM 107 CG ASP A 14 11.507 7.583 -3.320 1.00 71.12 C ATOM 108 OD1 ASP A 14 12.435 7.667 -2.488 1.00 23.00 O ATOM 109 OD2 ASP A 14 11.384 8.359 -4.291 1.00 22.45 O ATOM 0 H ASP A 14 9.684 4.433 -2.032 1.00 45.20 H new ATOM 0 HA ASP A 14 10.548 6.881 -1.034 1.00 74.41 H new ATOM 0 HB2 ASP A 14 10.957 5.515 -3.299 1.00 35.30 H new ATOM 0 HB3 ASP A 14 9.708 6.583 -3.908 1.00 35.30 H new ATOM 114 N ALA A 15 7.600 7.077 -2.535 1.00 14.31 N ATOM 115 CA ALA A 15 6.390 7.884 -2.631 1.00 24.44 C ATOM 116 C ALA A 15 5.361 7.224 -3.542 1.00 12.33 C ATOM 117 O ALA A 15 4.990 7.777 -4.578 1.00 62.02 O ATOM 118 CB ALA A 15 6.725 9.281 -3.133 1.00 64.32 C ATOM 0 H ALA A 15 7.585 6.226 -3.097 1.00 14.31 H new ATOM 0 HA ALA A 15 5.956 7.963 -1.634 1.00 24.44 H new ATOM 0 HB1 ALA A 15 5.812 9.872 -3.200 1.00 64.32 H new ATOM 0 HB2 ALA A 15 7.418 9.760 -2.441 1.00 64.32 H new ATOM 0 HB3 ALA A 15 7.186 9.213 -4.118 1.00 64.32 H new ATOM 124 N GLY A 16 4.904 6.038 -3.152 1.00 0.14 N ATOM 125 CA GLY A 16 3.923 5.323 -3.946 1.00 75.34 C ATOM 126 C GLY A 16 2.499 5.696 -3.583 1.00 74.41 C ATOM 127 O GLY A 16 1.873 5.044 -2.748 1.00 72.34 O ATOM 0 H GLY A 16 5.196 5.560 -2.300 1.00 0.14 H new ATOM 0 HA2 GLY A 16 4.092 5.533 -5.002 1.00 75.34 H new ATOM 0 HA3 GLY A 16 4.061 4.251 -3.808 1.00 75.34 H new ATOM 131 N GLY A 17 1.986 6.750 -4.210 1.00 73.23 N ATOM 132 CA GLY A 17 0.632 7.192 -3.934 1.00 64.32 C ATOM 133 C GLY A 17 -0.411 6.303 -4.582 1.00 14.04 C ATOM 134 O GLY A 17 -0.149 5.137 -4.875 1.00 2.33 O ATOM 0 H GLY A 17 2.485 7.306 -4.905 1.00 73.23 H new ATOM 0 HA2 GLY A 17 0.471 7.209 -2.856 1.00 64.32 H new ATOM 0 HA3 GLY A 17 0.507 8.214 -4.291 1.00 64.32 H new ATOM 138 N GLY A 18 -1.600 6.856 -4.807 1.00 55.10 N ATOM 139 CA GLY A 18 -2.669 6.091 -5.422 1.00 52.12 C ATOM 140 C GLY A 18 -3.181 6.731 -6.697 1.00 50.32 C ATOM 141 O GLY A 18 -3.128 7.951 -6.851 1.00 1.32 O ATOM 0 H GLY A 18 -1.841 7.819 -4.574 1.00 55.10 H new ATOM 0 HA2 GLY A 18 -2.311 5.085 -5.642 1.00 52.12 H new ATOM 0 HA3 GLY A 18 -3.492 5.989 -4.715 1.00 52.12 H new ATOM 145 N SER A 19 -3.676 5.906 -7.614 1.00 51.51 N ATOM 146 CA SER A 19 -4.195 6.399 -8.885 1.00 53.41 C ATOM 147 C SER A 19 -5.236 5.441 -9.455 1.00 40.04 C ATOM 148 O SER A 19 -6.187 5.860 -10.113 1.00 55.30 O ATOM 149 CB SER A 19 -3.054 6.585 -9.887 1.00 13.51 C ATOM 150 OG SER A 19 -2.848 5.409 -10.650 1.00 12.11 O ATOM 0 H SER A 19 -3.729 4.894 -7.501 1.00 51.51 H new ATOM 0 HA SER A 19 -4.673 7.362 -8.706 1.00 53.41 H new ATOM 0 HB2 SER A 19 -3.282 7.418 -10.552 1.00 13.51 H new ATOM 0 HB3 SER A 19 -2.138 6.843 -9.356 1.00 13.51 H new ATOM 0 HG SER A 19 -2.115 5.555 -11.284 1.00 12.11 H new ATOM 156 N GLY A 20 -5.049 4.151 -9.194 1.00 73.32 N ATOM 157 CA GLY A 20 -5.979 3.152 -9.688 1.00 33.14 C ATOM 158 C GLY A 20 -6.015 1.911 -8.817 1.00 10.33 C ATOM 159 O GLY A 20 -6.799 1.832 -7.872 1.00 22.03 O ATOM 0 H GLY A 20 -4.270 3.780 -8.650 1.00 73.32 H new ATOM 0 HA2 GLY A 20 -6.978 3.585 -9.740 1.00 33.14 H new ATOM 0 HA3 GLY A 20 -5.700 2.871 -10.704 1.00 33.14 H new ATOM 163 N TRP A 21 -5.166 0.942 -9.137 1.00 72.40 N ATOM 164 CA TRP A 21 -5.105 -0.301 -8.377 1.00 23.30 C ATOM 165 C TRP A 21 -4.906 -0.022 -6.891 1.00 64.31 C ATOM 166 O TRP A 21 -5.301 -0.820 -6.041 1.00 41.11 O ATOM 167 CB TRP A 21 -3.973 -1.188 -8.898 1.00 51.41 C ATOM 168 CG TRP A 21 -2.835 -0.410 -9.489 1.00 71.52 C ATOM 169 CD1 TRP A 21 -2.247 0.706 -8.968 1.00 3.31 C ATOM 170 CD2 TRP A 21 -2.150 -0.692 -10.714 1.00 72.54 C ATOM 171 NE1 TRP A 21 -1.238 1.137 -9.795 1.00 60.43 N ATOM 172 CE2 TRP A 21 -1.157 0.294 -10.872 1.00 10.14 C ATOM 173 CE3 TRP A 21 -2.276 -1.683 -11.691 1.00 30.53 C ATOM 174 CZ2 TRP A 21 -0.300 0.318 -11.969 1.00 3.52 C ATOM 175 CZ3 TRP A 21 -1.425 -1.658 -12.779 1.00 41.22 C ATOM 176 CH2 TRP A 21 -0.446 -0.665 -12.911 1.00 1.45 C ATOM 0 H TRP A 21 -4.511 0.993 -9.917 1.00 72.40 H new ATOM 0 HA TRP A 21 -6.054 -0.822 -8.506 1.00 23.30 H new ATOM 0 HB2 TRP A 21 -3.598 -1.804 -8.081 1.00 51.41 H new ATOM 0 HB3 TRP A 21 -4.370 -1.867 -9.652 1.00 51.41 H new ATOM 0 HD1 TRP A 21 -2.533 1.181 -8.041 1.00 3.31 H new ATOM 0 HE1 TRP A 21 -0.646 1.952 -9.633 1.00 60.43 H new ATOM 0 HE3 TRP A 21 -3.025 -2.455 -11.597 1.00 30.53 H new ATOM 0 HZ2 TRP A 21 0.453 1.085 -12.073 1.00 3.52 H new ATOM 0 HZ3 TRP A 21 -1.516 -2.418 -13.541 1.00 41.22 H new ATOM 0 HH2 TRP A 21 0.206 -0.675 -13.772 1.00 1.45 H new ATOM 187 N LEU A 22 -4.290 1.115 -6.585 1.00 23.13 N ATOM 188 CA LEU A 22 -4.039 1.500 -5.200 1.00 61.24 C ATOM 189 C LEU A 22 -5.343 1.818 -4.478 1.00 62.11 C ATOM 190 O LEU A 22 -5.339 2.236 -3.319 1.00 61.43 O ATOM 191 CB LEU A 22 -3.105 2.711 -5.149 1.00 63.34 C ATOM 192 CG LEU A 22 -1.660 2.462 -5.581 1.00 43.44 C ATOM 193 CD1 LEU A 22 -1.351 0.973 -5.581 1.00 54.14 C ATOM 194 CD2 LEU A 22 -1.402 3.063 -6.954 1.00 14.25 C ATOM 0 H LEU A 22 -3.955 1.786 -7.277 1.00 23.13 H new ATOM 0 HA LEU A 22 -3.563 0.659 -4.695 1.00 61.24 H new ATOM 0 HB2 LEU A 22 -3.523 3.494 -5.782 1.00 63.34 H new ATOM 0 HB3 LEU A 22 -3.097 3.096 -4.129 1.00 63.34 H new ATOM 0 HG LEU A 22 -0.998 2.949 -4.864 1.00 43.44 H new ATOM 0 HD11 LEU A 22 -0.318 0.816 -5.891 1.00 54.14 H new ATOM 0 HD12 LEU A 22 -1.494 0.572 -4.578 1.00 54.14 H new ATOM 0 HD13 LEU A 22 -2.020 0.463 -6.274 1.00 54.14 H new ATOM 0 HD21 LEU A 22 -0.368 2.876 -7.245 1.00 14.25 H new ATOM 0 HD22 LEU A 22 -2.072 2.607 -7.683 1.00 14.25 H new ATOM 0 HD23 LEU A 22 -1.580 4.138 -6.920 1.00 14.25 H new ATOM 206 N THR A 23 -6.462 1.616 -5.168 1.00 72.05 N ATOM 207 CA THR A 23 -7.774 1.879 -4.593 1.00 11.31 C ATOM 208 C THR A 23 -8.197 0.758 -3.652 1.00 23.34 C ATOM 209 O THR A 23 -9.370 0.641 -3.296 1.00 13.53 O ATOM 210 CB THR A 23 -8.844 2.048 -5.688 1.00 23.03 C ATOM 211 OG1 THR A 23 -8.815 0.925 -6.578 1.00 3.35 O ATOM 212 CG2 THR A 23 -8.618 3.331 -6.474 1.00 51.02 C ATOM 0 H THR A 23 -6.484 1.270 -6.127 1.00 72.05 H new ATOM 0 HA THR A 23 -7.692 2.809 -4.030 1.00 11.31 H new ATOM 0 HB THR A 23 -9.820 2.105 -5.206 1.00 23.03 H new ATOM 0 HG1 THR A 23 -8.335 1.169 -7.397 1.00 3.35 H new ATOM 0 HG21 THR A 23 -9.386 3.428 -7.241 1.00 51.02 H new ATOM 0 HG22 THR A 23 -8.670 4.185 -5.799 1.00 51.02 H new ATOM 0 HG23 THR A 23 -7.636 3.300 -6.946 1.00 51.02 H new ATOM 220 N GLY A 24 -7.235 -0.068 -3.251 1.00 15.32 N ATOM 221 CA GLY A 24 -7.529 -1.170 -2.355 1.00 24.12 C ATOM 222 C GLY A 24 -7.210 -2.518 -2.969 1.00 70.23 C ATOM 223 O GLY A 24 -8.063 -3.405 -3.015 1.00 42.00 O ATOM 0 H GLY A 24 -6.257 0.007 -3.531 1.00 15.32 H new ATOM 0 HA2 GLY A 24 -6.957 -1.049 -1.435 1.00 24.12 H new ATOM 0 HA3 GLY A 24 -8.583 -1.140 -2.081 1.00 24.12 H new ATOM 227 N TRP A 25 -5.979 -2.675 -3.443 1.00 53.30 N ATOM 228 CA TRP A 25 -5.550 -3.925 -4.059 1.00 31.12 C ATOM 229 C TRP A 25 -4.276 -4.445 -3.405 1.00 64.11 C ATOM 230 O TRP A 25 -3.392 -4.978 -4.078 1.00 2.34 O ATOM 231 CB TRP A 25 -5.323 -3.726 -5.559 1.00 32.24 C ATOM 232 CG TRP A 25 -3.926 -3.302 -5.897 1.00 51.14 C ATOM 233 CD1 TRP A 25 -3.254 -2.222 -5.399 1.00 10.31 C ATOM 234 CD2 TRP A 25 -3.031 -3.948 -6.809 1.00 44.32 C ATOM 235 NE1 TRP A 25 -1.995 -2.159 -5.946 1.00 1.41 N ATOM 236 CE2 TRP A 25 -1.833 -3.206 -6.813 1.00 71.35 C ATOM 237 CE3 TRP A 25 -3.123 -5.083 -7.620 1.00 0.13 C ATOM 238 CZ2 TRP A 25 -0.740 -3.563 -7.598 1.00 40.22 C ATOM 239 CZ3 TRP A 25 -2.038 -5.435 -8.399 1.00 3.21 C ATOM 240 CH2 TRP A 25 -0.859 -4.678 -8.383 1.00 73.42 C ATOM 0 H TRP A 25 -5.260 -1.952 -3.412 1.00 53.30 H new ATOM 0 HA TRP A 25 -6.339 -4.663 -3.912 1.00 31.12 H new ATOM 0 HB2 TRP A 25 -5.549 -4.656 -6.080 1.00 32.24 H new ATOM 0 HB3 TRP A 25 -6.022 -2.976 -5.929 1.00 32.24 H new ATOM 0 HD1 TRP A 25 -3.653 -1.521 -4.681 1.00 10.31 H new ATOM 0 HE1 TRP A 25 -1.294 -1.447 -5.739 1.00 1.41 H new ATOM 0 HE3 TRP A 25 -4.027 -5.674 -7.637 1.00 0.13 H new ATOM 0 HZ2 TRP A 25 0.170 -2.981 -7.588 1.00 40.22 H new ATOM 0 HZ3 TRP A 25 -2.099 -6.309 -9.031 1.00 3.21 H new ATOM 0 HH2 TRP A 25 -0.028 -4.980 -9.002 1.00 73.42 H new ATOM 251 N LEU A 26 -4.186 -4.290 -2.088 1.00 11.22 N ATOM 252 CA LEU A 26 -3.019 -4.745 -1.341 1.00 72.21 C ATOM 253 C LEU A 26 -3.364 -4.964 0.128 1.00 75.41 C ATOM 254 O LEU A 26 -4.333 -4.415 0.653 1.00 11.42 O ATOM 255 CB LEU A 26 -1.882 -3.728 -1.464 1.00 64.23 C ATOM 256 CG LEU A 26 -2.232 -2.285 -1.103 1.00 54.32 C ATOM 257 CD1 LEU A 26 -1.032 -1.583 -0.488 1.00 4.23 C ATOM 258 CD2 LEU A 26 -2.718 -1.531 -2.333 1.00 0.01 C ATOM 0 H LEU A 26 -4.908 -3.852 -1.516 1.00 11.22 H new ATOM 0 HA LEU A 26 -2.695 -5.696 -1.764 1.00 72.21 H new ATOM 0 HB2 LEU A 26 -1.060 -4.052 -0.825 1.00 64.23 H new ATOM 0 HB3 LEU A 26 -1.514 -3.746 -2.490 1.00 64.23 H new ATOM 0 HG LEU A 26 -3.036 -2.300 -0.367 1.00 54.32 H new ATOM 0 HD11 LEU A 26 -1.300 -0.557 -0.237 1.00 4.23 H new ATOM 0 HD12 LEU A 26 -0.727 -2.109 0.416 1.00 4.23 H new ATOM 0 HD13 LEU A 26 -0.208 -1.579 -1.201 1.00 4.23 H new ATOM 0 HD21 LEU A 26 -2.963 -0.505 -2.058 1.00 0.01 H new ATOM 0 HD22 LEU A 26 -1.934 -1.526 -3.090 1.00 0.01 H new ATOM 0 HD23 LEU A 26 -3.606 -2.021 -2.733 1.00 0.01 H new ATOM 270 N PRO A 27 -2.552 -5.786 0.810 1.00 22.23 N ATOM 271 CA PRO A 27 -2.750 -6.095 2.230 1.00 41.53 C ATOM 272 C PRO A 27 -2.457 -4.899 3.130 1.00 34.12 C ATOM 273 O PRO A 27 -2.362 -3.764 2.661 1.00 20.22 O ATOM 274 CB PRO A 27 -1.744 -7.219 2.491 1.00 24.41 C ATOM 275 CG PRO A 27 -0.683 -7.025 1.464 1.00 50.21 C ATOM 276 CD PRO A 27 -1.378 -6.476 0.250 1.00 14.14 C ATOM 0 HA PRO A 27 -3.782 -6.368 2.448 1.00 41.53 H new ATOM 0 HB2 PRO A 27 -1.335 -7.157 3.499 1.00 24.41 H new ATOM 0 HB3 PRO A 27 -2.212 -8.199 2.396 1.00 24.41 H new ATOM 0 HG2 PRO A 27 0.083 -6.336 1.820 1.00 50.21 H new ATOM 0 HG3 PRO A 27 -0.184 -7.967 1.236 1.00 50.21 H new ATOM 0 HD2 PRO A 27 -0.736 -5.791 -0.305 1.00 14.14 H new ATOM 0 HD3 PRO A 27 -1.669 -7.269 -0.439 1.00 14.14 H new ATOM 284 N THR A 28 -2.315 -5.160 4.425 1.00 44.44 N ATOM 285 CA THR A 28 -2.034 -4.104 5.391 1.00 70.34 C ATOM 286 C THR A 28 -0.775 -3.333 5.011 1.00 4.21 C ATOM 287 O THR A 28 -0.520 -2.248 5.534 1.00 51.13 O ATOM 288 CB THR A 28 -1.864 -4.675 6.812 1.00 34.45 C ATOM 289 OG1 THR A 28 -0.641 -5.413 6.900 1.00 43.25 O ATOM 290 CG2 THR A 28 -3.034 -5.575 7.177 1.00 64.21 C ATOM 0 H THR A 28 -2.390 -6.093 4.830 1.00 44.44 H new ATOM 0 HA THR A 28 -2.888 -3.427 5.379 1.00 70.34 H new ATOM 0 HB THR A 28 -1.835 -3.842 7.514 1.00 34.45 H new ATOM 0 HG1 THR A 28 -0.540 -5.771 7.807 1.00 43.25 H new ATOM 0 HG21 THR A 28 -2.892 -5.966 8.184 1.00 64.21 H new ATOM 0 HG22 THR A 28 -3.960 -5.002 7.138 1.00 64.21 H new ATOM 0 HG23 THR A 28 -3.090 -6.403 6.471 1.00 64.21 H new ATOM 298 N TRP A 29 0.007 -3.898 4.099 1.00 33.40 N ATOM 299 CA TRP A 29 1.239 -3.262 3.649 1.00 41.42 C ATOM 300 C TRP A 29 0.945 -1.941 2.946 1.00 51.22 C ATOM 301 O TRP A 29 0.749 -1.905 1.731 1.00 32.30 O ATOM 302 CB TRP A 29 2.006 -4.194 2.710 1.00 74.14 C ATOM 303 CG TRP A 29 2.492 -5.445 3.379 1.00 13.23 C ATOM 304 CD1 TRP A 29 1.801 -6.220 4.266 1.00 71.15 C ATOM 305 CD2 TRP A 29 3.774 -6.061 3.216 1.00 3.25 C ATOM 306 NE1 TRP A 29 2.577 -7.282 4.665 1.00 10.31 N ATOM 307 CE2 TRP A 29 3.791 -7.207 4.035 1.00 33.55 C ATOM 308 CE3 TRP A 29 4.907 -5.757 2.458 1.00 44.21 C ATOM 309 CZ2 TRP A 29 4.898 -8.048 4.114 1.00 25.11 C ATOM 310 CZ3 TRP A 29 6.006 -6.592 2.539 1.00 12.01 C ATOM 311 CH2 TRP A 29 5.995 -7.726 3.362 1.00 33.25 C ATOM 0 H TRP A 29 -0.190 -4.796 3.656 1.00 33.40 H new ATOM 0 HA TRP A 29 1.853 -3.057 4.526 1.00 41.42 H new ATOM 0 HB2 TRP A 29 1.362 -4.465 1.873 1.00 74.14 H new ATOM 0 HB3 TRP A 29 2.859 -3.658 2.295 1.00 74.14 H new ATOM 0 HD1 TRP A 29 0.794 -6.027 4.604 1.00 71.15 H new ATOM 0 HE1 TRP A 29 2.295 -8.008 5.323 1.00 10.31 H new ATOM 0 HE3 TRP A 29 4.924 -4.886 1.820 1.00 44.21 H new ATOM 0 HZ2 TRP A 29 4.891 -8.923 4.746 1.00 25.11 H new ATOM 0 HZ3 TRP A 29 6.888 -6.366 1.958 1.00 12.01 H new ATOM 0 HH2 TRP A 29 6.870 -8.358 3.404 1.00 33.25 H new ATOM 322 N CYS A 30 0.916 -0.860 3.717 1.00 50.31 N ATOM 323 CA CYS A 30 0.645 0.464 3.167 1.00 72.21 C ATOM 324 C CYS A 30 1.308 1.549 4.009 1.00 21.11 C ATOM 325 O CYS A 30 0.659 2.253 4.783 1.00 20.32 O ATOM 326 CB CYS A 30 -0.863 0.709 3.093 1.00 35.33 C ATOM 327 SG CYS A 30 -1.346 1.978 1.899 1.00 34.44 S ATOM 0 H CYS A 30 1.077 -0.874 4.724 1.00 50.31 H new ATOM 0 HA CYS A 30 1.062 0.505 2.161 1.00 72.21 H new ATOM 0 HB2 CYS A 30 -1.360 -0.226 2.835 1.00 35.33 H new ATOM 0 HB3 CYS A 30 -1.222 0.999 4.080 1.00 35.33 H new ATOM 0 HG CYS A 30 -2.639 2.112 1.907 1.00 34.44 H new ATOM 333 N PRO A 31 2.633 1.688 3.857 1.00 2.10 N ATOM 334 CA PRO A 31 3.414 2.685 4.597 1.00 14.13 C ATOM 335 C PRO A 31 3.114 4.109 4.142 1.00 2.44 C ATOM 336 O PRO A 31 2.543 4.325 3.073 1.00 32.45 O ATOM 337 CB PRO A 31 4.863 2.314 4.269 1.00 64.13 C ATOM 338 CG PRO A 31 4.788 1.612 2.958 1.00 10.05 C ATOM 339 CD PRO A 31 3.472 0.884 2.953 1.00 75.11 C ATOM 0 HA PRO A 31 3.187 2.672 5.663 1.00 14.13 H new ATOM 0 HB2 PRO A 31 5.494 3.201 4.208 1.00 64.13 H new ATOM 0 HB3 PRO A 31 5.291 1.671 5.038 1.00 64.13 H new ATOM 0 HG2 PRO A 31 4.845 2.321 2.132 1.00 10.05 H new ATOM 0 HG3 PRO A 31 5.619 0.917 2.839 1.00 10.05 H new ATOM 0 HD2 PRO A 31 3.046 0.831 1.951 1.00 75.11 H new ATOM 0 HD3 PRO A 31 3.578 -0.141 3.309 1.00 75.11 H new ATOM 347 N THR A 32 3.502 5.081 4.962 1.00 11.22 N ATOM 348 CA THR A 32 3.274 6.486 4.646 1.00 73.23 C ATOM 349 C THR A 32 4.490 7.099 3.961 1.00 24.14 C ATOM 350 O THR A 32 4.675 8.316 3.978 1.00 43.21 O ATOM 351 CB THR A 32 2.945 7.300 5.910 1.00 45.41 C ATOM 352 OG1 THR A 32 2.698 6.418 7.011 1.00 51.44 O ATOM 353 CG2 THR A 32 1.729 8.186 5.682 1.00 42.21 C ATOM 0 H THR A 32 3.976 4.921 5.851 1.00 11.22 H new ATOM 0 HA THR A 32 2.421 6.524 3.968 1.00 73.23 H new ATOM 0 HB THR A 32 3.801 7.935 6.139 1.00 45.41 H new ATOM 0 HG1 THR A 32 2.491 6.944 7.812 1.00 51.44 H new ATOM 0 HG21 THR A 32 1.516 8.752 6.589 1.00 42.21 H new ATOM 0 HG22 THR A 32 1.930 8.876 4.863 1.00 42.21 H new ATOM 0 HG23 THR A 32 0.869 7.566 5.431 1.00 42.21 H new ATOM 361 N SER A 33 5.315 6.250 3.358 1.00 15.34 N ATOM 362 CA SER A 33 6.516 6.709 2.669 1.00 4.45 C ATOM 363 C SER A 33 7.358 7.597 3.581 1.00 51.33 C ATOM 364 O SER A 33 7.102 7.697 4.781 1.00 62.32 O ATOM 365 CB SER A 33 6.140 7.475 1.399 1.00 42.41 C ATOM 366 OG SER A 33 5.103 6.815 0.694 1.00 4.01 O ATOM 0 H SER A 33 5.174 5.240 3.332 1.00 15.34 H new ATOM 0 HA SER A 33 7.106 5.834 2.396 1.00 4.45 H new ATOM 0 HB2 SER A 33 5.821 8.484 1.660 1.00 42.41 H new ATOM 0 HB3 SER A 33 7.015 7.573 0.757 1.00 42.41 H new ATOM 0 HG SER A 33 4.663 7.449 0.090 1.00 4.01 H new ATOM 372 N THR A 34 8.367 8.241 3.002 1.00 74.03 N ATOM 373 CA THR A 34 9.248 9.119 3.760 1.00 52.54 C ATOM 374 C THR A 34 9.196 10.546 3.226 1.00 54.02 C ATOM 375 O THR A 34 10.143 11.316 3.389 1.00 22.23 O ATOM 376 CB THR A 34 10.706 8.622 3.720 1.00 43.35 C ATOM 377 OG1 THR A 34 10.742 7.236 3.363 1.00 63.42 O ATOM 378 CG2 THR A 34 11.383 8.821 5.068 1.00 15.00 C ATOM 0 H THR A 34 8.594 8.170 2.010 1.00 74.03 H new ATOM 0 HA THR A 34 8.895 9.107 4.791 1.00 52.54 H new ATOM 0 HB THR A 34 11.244 9.204 2.971 1.00 43.35 H new ATOM 0 HG1 THR A 34 11.672 6.929 3.338 1.00 63.42 H new ATOM 0 HG21 THR A 34 12.411 8.463 5.015 1.00 15.00 H new ATOM 0 HG22 THR A 34 11.381 9.881 5.323 1.00 15.00 H new ATOM 0 HG23 THR A 34 10.843 8.262 5.832 1.00 15.00 H new ATOM 386 N SER A 35 8.083 10.893 2.587 1.00 53.42 N ATOM 387 CA SER A 35 7.909 12.228 2.026 1.00 33.34 C ATOM 388 C SER A 35 7.603 13.243 3.123 1.00 34.20 C ATOM 389 O SER A 35 7.218 12.877 4.233 1.00 44.23 O ATOM 390 CB SER A 35 6.782 12.225 0.990 1.00 5.22 C ATOM 391 OG SER A 35 7.266 12.592 -0.290 1.00 2.43 O ATOM 0 H SER A 35 7.289 10.269 2.445 1.00 53.42 H new ATOM 0 HA SER A 35 8.841 12.515 1.539 1.00 33.34 H new ATOM 0 HB2 SER A 35 6.331 11.234 0.941 1.00 5.22 H new ATOM 0 HB3 SER A 35 5.998 12.917 1.298 1.00 5.22 H new ATOM 0 HG SER A 35 6.528 12.581 -0.934 1.00 2.43 H new ATOM 397 N HIS A 36 7.779 14.521 2.803 1.00 11.14 N ATOM 398 CA HIS A 36 7.521 15.591 3.761 1.00 75.04 C ATOM 399 C HIS A 36 7.778 16.957 3.132 1.00 75.11 C ATOM 400 O HIS A 36 6.843 17.699 2.831 1.00 3.45 O ATOM 401 CB HIS A 36 8.399 15.415 5.001 1.00 33.52 C ATOM 402 CG HIS A 36 7.631 15.033 6.229 1.00 30.45 C ATOM 403 ND1 HIS A 36 7.754 13.804 6.842 1.00 43.33 N ATOM 404 CD2 HIS A 36 6.724 15.726 6.958 1.00 42.14 C ATOM 405 CE1 HIS A 36 6.958 13.758 7.895 1.00 30.41 C ATOM 406 NE2 HIS A 36 6.322 14.912 7.988 1.00 33.22 N ATOM 0 H HIS A 36 8.099 14.841 1.889 1.00 11.14 H new ATOM 0 HA HIS A 36 6.473 15.537 4.055 1.00 75.04 H new ATOM 0 HB2 HIS A 36 9.149 14.651 4.799 1.00 33.52 H new ATOM 0 HB3 HIS A 36 8.935 16.345 5.192 1.00 33.52 H new ATOM 0 HD2 HIS A 36 6.381 16.732 6.765 1.00 42.14 H new ATOM 0 HE1 HIS A 36 6.846 12.919 8.566 1.00 30.41 H new ATOM 0 HE2 HIS A 36 5.643 15.158 8.708 1.00 33.22 H new ATOM 414 N LEU A 37 9.051 17.282 2.934 1.00 43.33 N ATOM 415 CA LEU A 37 9.432 18.559 2.341 1.00 21.24 C ATOM 416 C LEU A 37 9.214 18.545 0.832 1.00 70.14 C ATOM 417 O LEU A 37 10.166 18.633 0.056 1.00 42.23 O ATOM 418 CB LEU A 37 10.895 18.874 2.655 1.00 52.32 C ATOM 419 CG LEU A 37 11.168 19.506 4.021 1.00 73.01 C ATOM 420 CD1 LEU A 37 10.434 20.832 4.151 1.00 62.02 C ATOM 421 CD2 LEU A 37 10.761 18.557 5.138 1.00 41.25 C ATOM 0 H LEU A 37 9.837 16.678 3.176 1.00 43.33 H new ATOM 0 HA LEU A 37 8.800 19.335 2.773 1.00 21.24 H new ATOM 0 HB2 LEU A 37 11.468 17.950 2.584 1.00 52.32 H new ATOM 0 HB3 LEU A 37 11.275 19.545 1.884 1.00 52.32 H new ATOM 0 HG LEU A 37 12.238 19.696 4.105 1.00 73.01 H new ATOM 0 HD11 LEU A 37 10.640 21.267 5.129 1.00 62.02 H new ATOM 0 HD12 LEU A 37 10.774 21.514 3.371 1.00 62.02 H new ATOM 0 HD13 LEU A 37 9.362 20.666 4.046 1.00 62.02 H new ATOM 0 HD21 LEU A 37 10.962 19.023 6.103 1.00 41.25 H new ATOM 0 HD22 LEU A 37 9.697 18.335 5.057 1.00 41.25 H new ATOM 0 HD23 LEU A 37 11.332 17.632 5.056 1.00 41.25 H new ATOM 433 N LYS A 38 7.956 18.434 0.421 1.00 14.34 N ATOM 434 CA LYS A 38 7.612 18.411 -0.995 1.00 15.20 C ATOM 435 C LYS A 38 8.136 19.658 -1.703 1.00 21.33 C ATOM 436 O LYS A 38 8.306 20.707 -1.084 1.00 21.25 O ATOM 437 CB LYS A 38 6.095 18.311 -1.173 1.00 4.44 C ATOM 438 CG LYS A 38 5.669 17.977 -2.591 1.00 13.35 C ATOM 439 CD LYS A 38 4.693 16.812 -2.620 1.00 20.21 C ATOM 440 CE LYS A 38 3.797 16.866 -3.847 1.00 51.23 C ATOM 441 NZ LYS A 38 2.386 16.520 -3.520 1.00 51.21 N ATOM 0 H LYS A 38 7.156 18.358 1.050 1.00 14.34 H new ATOM 0 HA LYS A 38 8.082 17.535 -1.442 1.00 15.20 H new ATOM 0 HB2 LYS A 38 5.708 17.548 -0.497 1.00 4.44 H new ATOM 0 HB3 LYS A 38 5.640 19.257 -0.879 1.00 4.44 H new ATOM 0 HG2 LYS A 38 5.207 18.852 -3.049 1.00 13.35 H new ATOM 0 HG3 LYS A 38 6.548 17.732 -3.188 1.00 13.35 H new ATOM 0 HD2 LYS A 38 5.246 15.873 -2.613 1.00 20.21 H new ATOM 0 HD3 LYS A 38 4.079 16.828 -1.719 1.00 20.21 H new ATOM 0 HE2 LYS A 38 3.835 17.865 -4.280 1.00 51.23 H new ATOM 0 HE3 LYS A 38 4.174 16.177 -4.602 1.00 51.23 H new ATOM 0 HZ1 LYS A 38 1.808 16.568 -4.383 1.00 51.21 H new ATOM 0 HZ2 LYS A 38 2.346 15.557 -3.130 1.00 51.21 H new ATOM 0 HZ3 LYS A 38 2.017 17.193 -2.818 1.00 51.21 H new ATOM 455 N GLU A 39 8.388 19.533 -3.003 1.00 45.23 N ATOM 456 CA GLU A 39 8.892 20.650 -3.792 1.00 21.02 C ATOM 457 C GLU A 39 7.991 21.873 -3.642 1.00 22.42 C ATOM 458 O GLU A 39 6.777 21.789 -3.826 1.00 13.31 O ATOM 459 CB GLU A 39 8.993 20.257 -5.267 1.00 33.44 C ATOM 460 CG GLU A 39 7.669 19.826 -5.875 1.00 23.13 C ATOM 461 CD GLU A 39 7.116 20.846 -6.851 1.00 12.03 C ATOM 462 OE1 GLU A 39 6.920 22.011 -6.445 1.00 51.41 O ATOM 463 OE2 GLU A 39 6.879 20.480 -8.021 1.00 71.51 O ATOM 0 H GLU A 39 8.251 18.671 -3.530 1.00 45.23 H new ATOM 0 HA GLU A 39 9.885 20.904 -3.421 1.00 21.02 H new ATOM 0 HB2 GLU A 39 9.385 21.102 -5.833 1.00 33.44 H new ATOM 0 HB3 GLU A 39 9.712 19.444 -5.369 1.00 33.44 H new ATOM 0 HG2 GLU A 39 7.802 18.873 -6.387 1.00 23.13 H new ATOM 0 HG3 GLU A 39 6.944 19.661 -5.078 1.00 23.13 H new ATOM 470 N ALA A 40 8.595 23.007 -3.305 1.00 11.51 N ATOM 471 CA ALA A 40 7.849 24.248 -3.131 1.00 3.14 C ATOM 472 C ALA A 40 8.787 25.420 -2.858 1.00 75.32 C ATOM 473 O ALA A 40 10.007 25.274 -2.914 1.00 54.34 O ATOM 474 CB ALA A 40 6.840 24.103 -2.001 1.00 51.34 C ATOM 0 H ALA A 40 9.599 23.093 -3.147 1.00 11.51 H new ATOM 0 HA ALA A 40 7.314 24.454 -4.058 1.00 3.14 H new ATOM 0 HB1 ALA A 40 6.290 25.037 -1.882 1.00 51.34 H new ATOM 0 HB2 ALA A 40 6.143 23.299 -2.237 1.00 51.34 H new ATOM 0 HB3 ALA A 40 7.363 23.869 -1.074 1.00 51.34 H new ATOM 480 N GLU A 41 8.208 26.579 -2.565 1.00 34.24 N ATOM 481 CA GLU A 41 8.994 27.776 -2.286 1.00 32.44 C ATOM 482 C GLU A 41 9.840 27.590 -1.030 1.00 35.30 C ATOM 483 O GLU A 41 9.587 26.693 -0.227 1.00 44.05 O ATOM 484 CB GLU A 41 8.075 28.988 -2.120 1.00 12.52 C ATOM 485 CG GLU A 41 7.301 29.342 -3.379 1.00 4.24 C ATOM 486 CD GLU A 41 6.244 30.402 -3.135 1.00 11.41 C ATOM 487 OE1 GLU A 41 6.568 31.428 -2.502 1.00 3.34 O ATOM 488 OE2 GLU A 41 5.094 30.205 -3.578 1.00 12.45 O ATOM 0 H GLU A 41 7.198 26.715 -2.514 1.00 34.24 H new ATOM 0 HA GLU A 41 9.661 27.947 -3.131 1.00 32.44 H new ATOM 0 HB2 GLU A 41 7.369 28.790 -1.313 1.00 12.52 H new ATOM 0 HB3 GLU A 41 8.673 29.848 -1.817 1.00 12.52 H new ATOM 0 HG2 GLU A 41 7.996 29.696 -4.141 1.00 4.24 H new ATOM 0 HG3 GLU A 41 6.825 28.444 -3.773 1.00 4.24 H new ATOM 495 N GLU A 42 10.847 28.443 -0.870 1.00 12.33 N ATOM 496 CA GLU A 42 11.732 28.372 0.286 1.00 1.11 C ATOM 497 C GLU A 42 11.517 29.567 1.210 1.00 15.00 C ATOM 498 O GLU A 42 11.243 30.678 0.754 1.00 60.43 O ATOM 499 CB GLU A 42 13.193 28.317 -0.164 1.00 23.31 C ATOM 500 CG GLU A 42 13.442 27.349 -1.309 1.00 24.54 C ATOM 501 CD GLU A 42 14.858 26.809 -1.319 1.00 61.32 C ATOM 502 OE1 GLU A 42 15.646 27.191 -0.430 1.00 10.43 O ATOM 503 OE2 GLU A 42 15.179 26.002 -2.218 1.00 24.53 O ATOM 0 H GLU A 42 11.070 29.191 -1.527 1.00 12.33 H new ATOM 0 HA GLU A 42 11.495 27.462 0.837 1.00 1.11 H new ATOM 0 HB2 GLU A 42 13.508 29.315 -0.468 1.00 23.31 H new ATOM 0 HB3 GLU A 42 13.815 28.031 0.684 1.00 23.31 H new ATOM 0 HG2 GLU A 42 12.741 26.518 -1.236 1.00 24.54 H new ATOM 0 HG3 GLU A 42 13.242 27.852 -2.255 1.00 24.54 H new ATOM 510 N LYS A 43 11.646 29.333 2.511 1.00 21.55 N ATOM 511 CA LYS A 43 11.467 30.388 3.502 1.00 33.25 C ATOM 512 C LYS A 43 12.710 31.267 3.589 1.00 23.13 C ATOM 513 O LYS A 43 13.316 31.557 2.559 1.00 30.13 O ATOM 514 CB LYS A 43 11.158 29.783 4.873 1.00 52.22 C ATOM 515 CG LYS A 43 10.933 30.821 5.958 1.00 25.40 C ATOM 516 CD LYS A 43 11.162 30.238 7.343 1.00 11.21 C ATOM 517 CE LYS A 43 12.642 30.189 7.689 1.00 73.44 C ATOM 518 NZ LYS A 43 13.166 28.795 7.688 1.00 73.12 N ATOM 0 H LYS A 43 11.874 28.420 2.905 1.00 21.55 H new ATOM 0 HA LYS A 43 10.626 31.007 3.189 1.00 33.25 H new ATOM 0 HB2 LYS A 43 10.270 29.155 4.792 1.00 52.22 H new ATOM 0 HB3 LYS A 43 11.982 29.133 5.168 1.00 52.22 H new ATOM 0 HG2 LYS A 43 11.606 31.664 5.801 1.00 25.40 H new ATOM 0 HG3 LYS A 43 9.916 31.207 5.888 1.00 25.40 H new ATOM 0 HD2 LYS A 43 10.634 30.838 8.084 1.00 11.21 H new ATOM 0 HD3 LYS A 43 10.743 29.233 7.390 1.00 11.21 H new ATOM 0 HE2 LYS A 43 13.203 30.788 6.972 1.00 73.44 H new ATOM 0 HE3 LYS A 43 12.801 30.636 8.670 1.00 73.44 H new ATOM 0 HZ1 LYS A 43 14.162 28.799 7.388 1.00 73.12 H new ATOM 0 HZ2 LYS A 43 13.094 28.396 8.646 1.00 73.12 H new ATOM 0 HZ3 LYS A 43 12.608 28.215 7.029 1.00 73.12 H new TER 532 LYS A 43