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 180:sc= 0 (180deg=0) 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 -92: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 124:sc= -2.95! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -73:sc= 1.25 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-1.2) USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.231) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 -10.736 2.994 8.103 1.00 13.00 N ATOM 2 CA GLY A 5 -9.679 3.403 7.199 1.00 45.03 C ATOM 3 C GLY A 5 -8.307 2.970 7.677 1.00 43.15 C ATOM 4 O GLY A 5 -8.059 2.887 8.879 1.00 73.31 O ATOM 0 HA2 GLY A 5 -9.866 2.981 6.212 1.00 45.03 H new ATOM 0 HA3 GLY A 5 -9.697 4.487 7.091 1.00 45.03 H new ATOM 8 N ALA A 6 -7.414 2.692 6.733 1.00 2.12 N ATOM 9 CA ALA A 6 -6.060 2.266 7.065 1.00 74.55 C ATOM 10 C ALA A 6 -5.104 3.453 7.102 1.00 50.03 C ATOM 11 O ALA A 6 -5.435 4.543 6.635 1.00 25.04 O ATOM 12 CB ALA A 6 -5.574 1.226 6.065 1.00 11.31 C ATOM 0 H ALA A 6 -7.604 2.754 5.733 1.00 2.12 H new ATOM 0 HA ALA A 6 -6.080 1.818 8.059 1.00 74.55 H new ATOM 0 HB1 ALA A 6 -4.562 0.917 6.325 1.00 11.31 H new ATOM 0 HB2 ALA A 6 -6.236 0.360 6.090 1.00 11.31 H new ATOM 0 HB3 ALA A 6 -5.576 1.656 5.063 1.00 11.31 H new ATOM 18 N MET A 7 -3.918 3.235 7.661 1.00 65.25 N ATOM 19 CA MET A 7 -2.914 4.288 7.758 1.00 64.34 C ATOM 20 C MET A 7 -1.518 3.695 7.922 1.00 31.30 C ATOM 21 O MET A 7 -1.342 2.669 8.578 1.00 72.32 O ATOM 22 CB MET A 7 -3.228 5.214 8.934 1.00 13.00 C ATOM 23 CG MET A 7 -3.819 6.550 8.515 1.00 74.14 C ATOM 24 SD MET A 7 -5.578 6.681 8.891 1.00 30.33 S ATOM 25 CE MET A 7 -5.744 8.449 9.120 1.00 54.14 C ATOM 0 H MET A 7 -3.629 2.339 8.053 1.00 65.25 H new ATOM 0 HA MET A 7 -2.938 4.865 6.833 1.00 64.34 H new ATOM 0 HB2 MET A 7 -3.925 4.712 9.605 1.00 13.00 H new ATOM 0 HB3 MET A 7 -2.314 5.392 9.500 1.00 13.00 H new ATOM 0 HG2 MET A 7 -3.283 7.354 9.019 1.00 74.14 H new ATOM 0 HG3 MET A 7 -3.669 6.689 7.444 1.00 74.14 H new ATOM 0 HE1 MET A 7 -6.780 8.689 9.359 1.00 54.14 H new ATOM 0 HE2 MET A 7 -5.098 8.772 9.937 1.00 54.14 H new ATOM 0 HE3 MET A 7 -5.455 8.963 8.204 1.00 54.14 H new ATOM 35 N GLY A 8 -0.527 4.348 7.322 1.00 53.12 N ATOM 36 CA GLY A 8 0.839 3.870 7.413 1.00 22.02 C ATOM 37 C GLY A 8 1.416 4.024 8.806 1.00 12.51 C ATOM 38 O GLY A 8 0.677 4.064 9.790 1.00 22.42 O ATOM 0 H GLY A 8 -0.647 5.200 6.774 1.00 53.12 H new ATOM 0 HA2 GLY A 8 0.873 2.820 7.123 1.00 22.02 H new ATOM 0 HA3 GLY A 8 1.460 4.417 6.703 1.00 22.02 H new ATOM 42 N SER A 9 2.739 4.112 8.891 1.00 4.12 N ATOM 43 CA SER A 9 3.415 4.258 10.175 1.00 74.21 C ATOM 44 C SER A 9 4.701 5.065 10.024 1.00 14.42 C ATOM 45 O SER A 9 4.767 6.230 10.418 1.00 12.14 O ATOM 46 CB SER A 9 3.729 2.883 10.769 1.00 2.31 C ATOM 47 OG SER A 9 4.476 3.004 11.967 1.00 40.32 O ATOM 0 H SER A 9 3.365 4.085 8.086 1.00 4.12 H new ATOM 0 HA SER A 9 2.748 4.794 10.850 1.00 74.21 H new ATOM 0 HB2 SER A 9 2.800 2.349 10.968 1.00 2.31 H new ATOM 0 HB3 SER A 9 4.289 2.290 10.046 1.00 2.31 H new ATOM 0 HG SER A 9 4.662 2.112 12.328 1.00 40.32 H new ATOM 53 N VAL A 10 5.722 4.437 9.449 1.00 4.31 N ATOM 54 CA VAL A 10 7.007 5.096 9.244 1.00 71.02 C ATOM 55 C VAL A 10 7.711 4.552 8.007 1.00 70.34 C ATOM 56 O VAL A 10 7.898 3.344 7.867 1.00 23.04 O ATOM 57 CB VAL A 10 7.928 4.921 10.465 1.00 62.22 C ATOM 58 CG1 VAL A 10 9.271 5.593 10.221 1.00 25.00 C ATOM 59 CG2 VAL A 10 7.265 5.476 11.717 1.00 24.32 C ATOM 0 H VAL A 10 5.684 3.473 9.117 1.00 4.31 H new ATOM 0 HA VAL A 10 6.801 6.157 9.104 1.00 71.02 H new ATOM 0 HB VAL A 10 8.103 3.856 10.616 1.00 62.22 H new ATOM 0 HG11 VAL A 10 9.909 5.459 11.095 1.00 25.00 H new ATOM 0 HG12 VAL A 10 9.749 5.145 9.350 1.00 25.00 H new ATOM 0 HG13 VAL A 10 9.118 6.657 10.043 1.00 25.00 H new ATOM 0 HG21 VAL A 10 7.930 5.344 12.570 1.00 24.32 H new ATOM 0 HG22 VAL A 10 7.058 6.537 11.579 1.00 24.32 H new ATOM 0 HG23 VAL A 10 6.331 4.945 11.900 1.00 24.32 H new ATOM 69 N ASP A 11 8.101 5.453 7.110 1.00 31.35 N ATOM 70 CA ASP A 11 8.787 5.064 5.885 1.00 73.45 C ATOM 71 C ASP A 11 9.218 6.292 5.089 1.00 45.00 C ATOM 72 O ASP A 11 8.932 7.426 5.476 1.00 74.42 O ATOM 73 CB ASP A 11 7.882 4.178 5.027 1.00 55.12 C ATOM 74 CG ASP A 11 8.257 2.711 5.112 1.00 64.04 C ATOM 75 OD1 ASP A 11 9.439 2.387 4.871 1.00 11.14 O ATOM 76 OD2 ASP A 11 7.369 1.889 5.418 1.00 22.43 O ATOM 0 H ASP A 11 7.953 6.457 7.210 1.00 31.35 H new ATOM 0 HA ASP A 11 9.678 4.501 6.161 1.00 73.45 H new ATOM 0 HB2 ASP A 11 6.847 4.304 5.346 1.00 55.12 H new ATOM 0 HB3 ASP A 11 7.938 4.505 3.989 1.00 55.12 H new ATOM 81 N SER A 12 9.910 6.059 3.978 1.00 1.32 N ATOM 82 CA SER A 12 10.385 7.148 3.132 1.00 65.53 C ATOM 83 C SER A 12 9.658 7.150 1.792 1.00 54.44 C ATOM 84 O SER A 12 8.882 8.059 1.495 1.00 63.14 O ATOM 85 CB SER A 12 11.894 7.025 2.907 1.00 34.20 C ATOM 86 OG SER A 12 12.618 7.705 3.916 1.00 11.52 O ATOM 0 H SER A 12 10.154 5.127 3.643 1.00 1.32 H new ATOM 0 HA SER A 12 10.176 8.089 3.640 1.00 65.53 H new ATOM 0 HB2 SER A 12 12.179 5.973 2.898 1.00 34.20 H new ATOM 0 HB3 SER A 12 12.154 7.434 1.931 1.00 34.20 H new ATOM 0 HG SER A 12 13.579 7.609 3.750 1.00 11.52 H new ATOM 92 N ALA A 13 9.914 6.126 0.984 1.00 22.01 N ATOM 93 CA ALA A 13 9.283 6.008 -0.325 1.00 10.20 C ATOM 94 C ALA A 13 9.707 4.722 -1.025 1.00 4.21 C ATOM 95 O ALA A 13 10.860 4.299 -0.922 1.00 73.22 O ATOM 96 CB ALA A 13 9.623 7.216 -1.185 1.00 53.32 C ATOM 0 H ALA A 13 10.554 5.366 1.213 1.00 22.01 H new ATOM 0 HA ALA A 13 8.203 5.972 -0.179 1.00 10.20 H new ATOM 0 HB1 ALA A 13 9.145 7.115 -2.160 1.00 53.32 H new ATOM 0 HB2 ALA A 13 9.264 8.122 -0.697 1.00 53.32 H new ATOM 0 HB3 ALA A 13 10.703 7.278 -1.315 1.00 53.32 H new ATOM 102 N ASP A 14 8.771 4.103 -1.735 1.00 14.41 N ATOM 103 CA ASP A 14 9.047 2.865 -2.453 1.00 64.52 C ATOM 104 C ASP A 14 8.331 2.845 -3.799 1.00 73.24 C ATOM 105 O ASP A 14 8.945 2.602 -4.838 1.00 25.21 O ATOM 106 CB ASP A 14 8.621 1.658 -1.616 1.00 41.24 C ATOM 107 CG ASP A 14 9.634 0.531 -1.665 1.00 3.34 C ATOM 108 OD1 ASP A 14 10.686 0.651 -1.003 1.00 31.44 O ATOM 109 OD2 ASP A 14 9.375 -0.469 -2.366 1.00 52.14 O ATOM 0 H ASP A 14 7.813 4.439 -1.829 1.00 14.41 H new ATOM 0 HA ASP A 14 10.121 2.811 -2.633 1.00 64.52 H new ATOM 0 HB2 ASP A 14 8.479 1.970 -0.581 1.00 41.24 H new ATOM 0 HB3 ASP A 14 7.658 1.293 -1.974 1.00 41.24 H new ATOM 114 N ALA A 15 7.027 3.100 -3.773 1.00 53.42 N ATOM 115 CA ALA A 15 6.227 3.112 -4.991 1.00 54.35 C ATOM 116 C ALA A 15 6.228 4.495 -5.635 1.00 12.40 C ATOM 117 O ALA A 15 6.504 4.636 -6.825 1.00 52.25 O ATOM 118 CB ALA A 15 4.802 2.669 -4.691 1.00 51.33 C ATOM 0 H ALA A 15 6.502 3.301 -2.922 1.00 53.42 H new ATOM 0 HA ALA A 15 6.673 2.411 -5.696 1.00 54.35 H new ATOM 0 HB1 ALA A 15 4.216 2.683 -5.610 1.00 51.33 H new ATOM 0 HB2 ALA A 15 4.813 1.658 -4.283 1.00 51.33 H new ATOM 0 HB3 ALA A 15 4.355 3.348 -3.965 1.00 51.33 H new ATOM 124 N GLY A 16 5.915 5.513 -4.839 1.00 51.24 N ATOM 125 CA GLY A 16 5.885 6.872 -5.351 1.00 0.13 C ATOM 126 C GLY A 16 4.490 7.311 -5.749 1.00 61.34 C ATOM 127 O GLY A 16 4.323 8.292 -6.473 1.00 21.24 O ATOM 0 H GLY A 16 5.682 5.422 -3.850 1.00 51.24 H new ATOM 0 HA2 GLY A 16 6.274 7.551 -4.592 1.00 0.13 H new ATOM 0 HA3 GLY A 16 6.546 6.946 -6.214 1.00 0.13 H new ATOM 131 N GLY A 17 3.483 6.581 -5.278 1.00 3.02 N ATOM 132 CA GLY A 17 2.109 6.914 -5.601 1.00 12.12 C ATOM 133 C GLY A 17 1.405 5.804 -6.356 1.00 72.14 C ATOM 134 O GLY A 17 1.942 4.707 -6.503 1.00 72.02 O ATOM 0 H GLY A 17 3.595 5.764 -4.678 1.00 3.02 H new ATOM 0 HA2 GLY A 17 1.564 7.126 -4.681 1.00 12.12 H new ATOM 0 HA3 GLY A 17 2.090 7.825 -6.199 1.00 12.12 H new ATOM 138 N GLY A 18 0.198 6.089 -6.836 1.00 2.51 N ATOM 139 CA GLY A 18 -0.561 5.095 -7.572 1.00 41.04 C ATOM 140 C GLY A 18 -1.051 5.614 -8.909 1.00 55.02 C ATOM 141 O GLY A 18 -0.735 6.738 -9.300 1.00 70.15 O ATOM 0 H GLY A 18 -0.267 6.990 -6.728 1.00 2.51 H new ATOM 0 HA2 GLY A 18 0.060 4.214 -7.733 1.00 41.04 H new ATOM 0 HA3 GLY A 18 -1.415 4.778 -6.974 1.00 41.04 H new ATOM 145 N SER A 19 -1.825 4.794 -9.612 1.00 75.43 N ATOM 146 CA SER A 19 -2.356 5.174 -10.917 1.00 42.02 C ATOM 147 C SER A 19 -3.603 4.363 -11.253 1.00 41.00 C ATOM 148 O SER A 19 -4.512 4.850 -11.925 1.00 70.10 O ATOM 149 CB SER A 19 -1.295 4.974 -12.001 1.00 22.02 C ATOM 150 OG SER A 19 -1.415 3.696 -12.602 1.00 42.51 O ATOM 0 H SER A 19 -2.099 3.862 -9.300 1.00 75.43 H new ATOM 0 HA SER A 19 -2.630 6.228 -10.878 1.00 42.02 H new ATOM 0 HB2 SER A 19 -1.397 5.748 -12.762 1.00 22.02 H new ATOM 0 HB3 SER A 19 -0.301 5.083 -11.566 1.00 22.02 H new ATOM 0 HG SER A 19 -0.727 3.593 -13.292 1.00 42.51 H new ATOM 156 N GLY A 20 -3.639 3.120 -10.781 1.00 45.33 N ATOM 157 CA GLY A 20 -4.778 2.260 -11.042 1.00 42.10 C ATOM 158 C GLY A 20 -5.005 1.248 -9.937 1.00 0.12 C ATOM 159 O GLY A 20 -5.738 1.513 -8.984 1.00 45.53 O ATOM 0 H GLY A 20 -2.899 2.694 -10.223 1.00 45.33 H new ATOM 0 HA2 GLY A 20 -5.672 2.872 -11.159 1.00 42.10 H new ATOM 0 HA3 GLY A 20 -4.625 1.735 -11.985 1.00 42.10 H new ATOM 163 N TRP A 21 -4.377 0.085 -10.064 1.00 52.00 N ATOM 164 CA TRP A 21 -4.516 -0.972 -9.068 1.00 51.33 C ATOM 165 C TRP A 21 -4.156 -0.460 -7.678 1.00 13.43 C ATOM 166 O TRP A 21 -4.638 -0.979 -6.670 1.00 23.12 O ATOM 167 CB TRP A 21 -3.628 -2.163 -9.431 1.00 35.32 C ATOM 168 CG TRP A 21 -2.400 -1.777 -10.198 1.00 74.20 C ATOM 169 CD1 TRP A 21 -1.563 -0.732 -9.931 1.00 42.24 C ATOM 170 CD2 TRP A 21 -1.874 -2.430 -11.358 1.00 62.33 C ATOM 171 NE1 TRP A 21 -0.547 -0.697 -10.856 1.00 41.33 N ATOM 172 CE2 TRP A 21 -0.714 -1.728 -11.741 1.00 73.53 C ATOM 173 CE3 TRP A 21 -2.267 -3.541 -12.109 1.00 74.01 C ATOM 174 CZ2 TRP A 21 0.052 -2.102 -12.842 1.00 51.13 C ATOM 175 CZ3 TRP A 21 -1.506 -3.910 -13.201 1.00 60.53 C ATOM 176 CH2 TRP A 21 -0.357 -3.193 -13.560 1.00 25.02 C ATOM 0 H TRP A 21 -3.767 -0.150 -10.846 1.00 52.00 H new ATOM 0 HA TRP A 21 -5.557 -1.294 -9.059 1.00 51.33 H new ATOM 0 HB2 TRP A 21 -3.330 -2.677 -8.517 1.00 35.32 H new ATOM 0 HB3 TRP A 21 -4.208 -2.873 -10.021 1.00 35.32 H new ATOM 0 HD1 TRP A 21 -1.682 -0.036 -9.114 1.00 42.24 H new ATOM 0 HE1 TRP A 21 0.209 -0.013 -10.879 1.00 41.33 H new ATOM 0 HE3 TRP A 21 -3.150 -4.101 -11.840 1.00 74.01 H new ATOM 0 HZ2 TRP A 21 0.938 -1.550 -13.120 1.00 51.13 H new ATOM 0 HZ3 TRP A 21 -1.802 -4.766 -13.789 1.00 60.53 H new ATOM 0 HH2 TRP A 21 0.217 -3.507 -14.419 1.00 25.02 H new ATOM 187 N LEU A 22 -3.308 0.562 -7.628 1.00 74.54 N ATOM 188 CA LEU A 22 -2.885 1.145 -6.360 1.00 71.44 C ATOM 189 C LEU A 22 -4.044 1.865 -5.677 1.00 70.43 C ATOM 190 O LEU A 22 -3.871 2.489 -4.630 1.00 21.22 O ATOM 191 CB LEU A 22 -1.727 2.118 -6.586 1.00 4.45 C ATOM 192 CG LEU A 22 -0.392 1.491 -6.990 1.00 63.24 C ATOM 193 CD1 LEU A 22 -0.391 -0.001 -6.694 1.00 52.33 C ATOM 194 CD2 LEU A 22 -0.109 1.743 -8.464 1.00 53.41 C ATOM 0 H LEU A 22 -2.900 1.004 -8.452 1.00 74.54 H new ATOM 0 HA LEU A 22 -2.551 0.336 -5.710 1.00 71.44 H new ATOM 0 HB2 LEU A 22 -2.021 2.828 -7.359 1.00 4.45 H new ATOM 0 HB3 LEU A 22 -1.575 2.689 -5.670 1.00 4.45 H new ATOM 0 HG LEU A 22 0.399 1.958 -6.403 1.00 63.24 H new ATOM 0 HD11 LEU A 22 0.567 -0.430 -6.988 1.00 52.33 H new ATOM 0 HD12 LEU A 22 -0.548 -0.160 -5.627 1.00 52.33 H new ATOM 0 HD13 LEU A 22 -1.192 -0.484 -7.254 1.00 52.33 H new ATOM 0 HD21 LEU A 22 0.845 1.290 -8.734 1.00 53.41 H new ATOM 0 HD22 LEU A 22 -0.903 1.303 -9.067 1.00 53.41 H new ATOM 0 HD23 LEU A 22 -0.066 2.817 -8.648 1.00 53.41 H new ATOM 206 N THR A 23 -5.226 1.772 -6.277 1.00 32.54 N ATOM 207 CA THR A 23 -6.414 2.413 -5.727 1.00 31.14 C ATOM 208 C THR A 23 -6.983 1.610 -4.562 1.00 30.13 C ATOM 209 O THR A 23 -8.125 1.816 -4.152 1.00 24.50 O ATOM 210 CB THR A 23 -7.507 2.585 -6.799 1.00 42.12 C ATOM 211 OG1 THR A 23 -7.771 1.329 -7.436 1.00 2.42 O ATOM 212 CG2 THR A 23 -7.086 3.609 -7.841 1.00 73.00 C ATOM 0 H THR A 23 -5.386 1.259 -7.144 1.00 32.54 H new ATOM 0 HA THR A 23 -6.106 3.396 -5.371 1.00 31.14 H new ATOM 0 HB THR A 23 -8.413 2.941 -6.309 1.00 42.12 H new ATOM 0 HG1 THR A 23 -7.212 1.244 -8.236 1.00 2.42 H new ATOM 0 HG21 THR A 23 -7.873 3.713 -8.587 1.00 73.00 H new ATOM 0 HG22 THR A 23 -6.914 4.571 -7.357 1.00 73.00 H new ATOM 0 HG23 THR A 23 -6.168 3.278 -8.326 1.00 73.00 H new ATOM 220 N GLY A 24 -6.178 0.694 -4.032 1.00 51.13 N ATOM 221 CA GLY A 24 -6.619 -0.125 -2.918 1.00 61.32 C ATOM 222 C GLY A 24 -6.626 -1.605 -3.253 1.00 41.45 C ATOM 223 O GLY A 24 -7.641 -2.280 -3.088 1.00 43.12 O ATOM 0 H GLY A 24 -5.229 0.505 -4.354 1.00 51.13 H new ATOM 0 HA2 GLY A 24 -5.965 0.048 -2.063 1.00 61.32 H new ATOM 0 HA3 GLY A 24 -7.622 0.182 -2.620 1.00 61.32 H new ATOM 227 N TRP A 25 -5.491 -2.107 -3.726 1.00 54.13 N ATOM 228 CA TRP A 25 -5.371 -3.515 -4.087 1.00 44.31 C ATOM 229 C TRP A 25 -4.185 -4.159 -3.378 1.00 24.34 C ATOM 230 O TRP A 25 -3.480 -4.988 -3.955 1.00 3.20 O ATOM 231 CB TRP A 25 -5.217 -3.662 -5.602 1.00 62.51 C ATOM 232 CG TRP A 25 -3.791 -3.618 -6.061 1.00 50.11 C ATOM 233 CD1 TRP A 25 -2.880 -2.632 -5.810 1.00 63.31 C ATOM 234 CD2 TRP A 25 -3.113 -4.601 -6.852 1.00 14.03 C ATOM 235 NE1 TRP A 25 -1.677 -2.943 -6.398 1.00 20.12 N ATOM 236 CE2 TRP A 25 -1.794 -4.147 -7.042 1.00 51.54 C ATOM 237 CE3 TRP A 25 -3.494 -5.821 -7.417 1.00 21.52 C ATOM 238 CZ2 TRP A 25 -0.856 -4.870 -7.774 1.00 43.52 C ATOM 239 CZ3 TRP A 25 -2.561 -6.539 -8.142 1.00 11.32 C ATOM 240 CH2 TRP A 25 -1.255 -6.062 -8.315 1.00 40.45 C ATOM 0 H TRP A 25 -4.641 -1.561 -3.868 1.00 54.13 H new ATOM 0 HA TRP A 25 -6.280 -4.025 -3.770 1.00 44.31 H new ATOM 0 HB2 TRP A 25 -5.663 -4.606 -5.915 1.00 62.51 H new ATOM 0 HB3 TRP A 25 -5.775 -2.866 -6.096 1.00 62.51 H new ATOM 0 HD1 TRP A 25 -3.076 -1.739 -5.234 1.00 63.31 H new ATOM 0 HE1 TRP A 25 -0.834 -2.370 -6.361 1.00 20.12 H new ATOM 0 HE3 TRP A 25 -4.499 -6.196 -7.290 1.00 21.52 H new ATOM 0 HZ2 TRP A 25 0.151 -4.503 -7.910 1.00 43.52 H new ATOM 0 HZ3 TRP A 25 -2.844 -7.484 -8.582 1.00 11.32 H new ATOM 0 HH2 TRP A 25 -0.549 -6.647 -8.887 1.00 40.45 H new ATOM 251 N LEU A 26 -3.971 -3.774 -2.125 1.00 23.22 N ATOM 252 CA LEU A 26 -2.870 -4.315 -1.336 1.00 23.42 C ATOM 253 C LEU A 26 -3.129 -4.136 0.156 1.00 4.44 C ATOM 254 O LEU A 26 -3.903 -3.277 0.579 1.00 54.14 O ATOM 255 CB LEU A 26 -1.556 -3.635 -1.723 1.00 11.33 C ATOM 256 CG LEU A 26 -1.543 -2.107 -1.644 1.00 23.53 C ATOM 257 CD1 LEU A 26 -0.165 -1.605 -1.244 1.00 2.31 C ATOM 258 CD2 LEU A 26 -1.969 -1.501 -2.972 1.00 54.44 C ATOM 0 H LEU A 26 -4.545 -3.089 -1.633 1.00 23.22 H new ATOM 0 HA LEU A 26 -2.795 -5.382 -1.547 1.00 23.42 H new ATOM 0 HB2 LEU A 26 -0.767 -4.019 -1.077 1.00 11.33 H new ATOM 0 HB3 LEU A 26 -1.304 -3.929 -2.742 1.00 11.33 H new ATOM 0 HG LEU A 26 -2.256 -1.796 -0.880 1.00 23.53 H new ATOM 0 HD11 LEU A 26 -0.175 -0.516 -1.193 1.00 2.31 H new ATOM 0 HD12 LEU A 26 0.101 -2.012 -0.268 1.00 2.31 H new ATOM 0 HD13 LEU A 26 0.568 -1.927 -1.984 1.00 2.31 H new ATOM 0 HD21 LEU A 26 -1.954 -0.414 -2.897 1.00 54.44 H new ATOM 0 HD22 LEU A 26 -1.281 -1.821 -3.755 1.00 54.44 H new ATOM 0 HD23 LEU A 26 -2.978 -1.834 -3.217 1.00 54.44 H new ATOM 270 N PRO A 27 -2.465 -4.964 0.977 1.00 71.04 N ATOM 271 CA PRO A 27 -2.605 -4.914 2.436 1.00 50.24 C ATOM 272 C PRO A 27 -1.979 -3.659 3.035 1.00 41.22 C ATOM 273 O PRO A 27 -1.673 -2.702 2.322 1.00 32.44 O ATOM 274 CB PRO A 27 -1.855 -6.163 2.906 1.00 11.02 C ATOM 275 CG PRO A 27 -0.869 -6.443 1.827 1.00 55.24 C ATOM 276 CD PRO A 27 -1.525 -6.012 0.544 1.00 10.22 C ATOM 0 HA PRO A 27 -3.650 -4.886 2.746 1.00 50.24 H new ATOM 0 HB2 PRO A 27 -1.358 -5.990 3.861 1.00 11.02 H new ATOM 0 HB3 PRO A 27 -2.535 -7.003 3.048 1.00 11.02 H new ATOM 0 HG2 PRO A 27 0.058 -5.895 1.994 1.00 55.24 H new ATOM 0 HG3 PRO A 27 -0.613 -7.502 1.798 1.00 55.24 H new ATOM 0 HD2 PRO A 27 -0.797 -5.628 -0.171 1.00 10.22 H new ATOM 0 HD3 PRO A 27 -2.042 -6.840 0.059 1.00 10.22 H new ATOM 284 N THR A 28 -1.788 -3.669 4.351 1.00 53.21 N ATOM 285 CA THR A 28 -1.199 -2.532 5.047 1.00 11.10 C ATOM 286 C THR A 28 0.170 -2.185 4.473 1.00 60.51 C ATOM 287 O THR A 28 0.711 -1.112 4.738 1.00 14.21 O ATOM 288 CB THR A 28 -1.056 -2.809 6.556 1.00 71.54 C ATOM 289 OG1 THR A 28 -0.118 -3.869 6.772 1.00 70.31 O ATOM 290 CG2 THR A 28 -2.398 -3.180 7.167 1.00 12.32 C ATOM 0 H THR A 28 -2.033 -4.453 4.956 1.00 53.21 H new ATOM 0 HA THR A 28 -1.875 -1.689 4.903 1.00 11.10 H new ATOM 0 HB THR A 28 -0.694 -1.901 7.038 1.00 71.54 H new ATOM 0 HG1 THR A 28 -0.031 -4.038 7.733 1.00 70.31 H new ATOM 0 HG21 THR A 28 -2.272 -3.371 8.233 1.00 12.32 H new ATOM 0 HG22 THR A 28 -3.101 -2.359 7.026 1.00 12.32 H new ATOM 0 HG23 THR A 28 -2.784 -4.076 6.681 1.00 12.32 H new ATOM 298 N TRP A 29 0.725 -3.100 3.686 1.00 32.44 N ATOM 299 CA TRP A 29 2.031 -2.891 3.074 1.00 43.55 C ATOM 300 C TRP A 29 1.998 -1.710 2.108 1.00 12.34 C ATOM 301 O TRP A 29 1.716 -1.876 0.922 1.00 54.05 O ATOM 302 CB TRP A 29 2.483 -4.154 2.338 1.00 12.55 C ATOM 303 CG TRP A 29 2.716 -5.319 3.250 1.00 22.40 C ATOM 304 CD1 TRP A 29 1.942 -5.700 4.309 1.00 24.43 C ATOM 305 CD2 TRP A 29 3.799 -6.255 3.184 1.00 4.41 C ATOM 306 NE1 TRP A 29 2.479 -6.816 4.906 1.00 61.51 N ATOM 307 CE2 TRP A 29 3.617 -7.177 4.234 1.00 43.23 C ATOM 308 CE3 TRP A 29 4.902 -6.405 2.341 1.00 43.32 C ATOM 309 CZ2 TRP A 29 4.498 -8.231 4.460 1.00 44.22 C ATOM 310 CZ3 TRP A 29 5.777 -7.451 2.567 1.00 52.45 C ATOM 311 CH2 TRP A 29 5.570 -8.353 3.619 1.00 64.15 C ATOM 0 H TRP A 29 0.290 -3.994 3.457 1.00 32.44 H new ATOM 0 HA TRP A 29 2.743 -2.668 3.868 1.00 43.55 H new ATOM 0 HB2 TRP A 29 1.729 -4.425 1.599 1.00 12.55 H new ATOM 0 HB3 TRP A 29 3.402 -3.939 1.792 1.00 12.55 H new ATOM 0 HD1 TRP A 29 1.041 -5.199 4.630 1.00 24.43 H new ATOM 0 HE1 TRP A 29 2.093 -7.297 5.718 1.00 61.51 H new ATOM 0 HE3 TRP A 29 5.069 -5.716 1.526 1.00 43.32 H new ATOM 0 HZ2 TRP A 29 4.341 -8.927 5.270 1.00 44.22 H new ATOM 0 HZ3 TRP A 29 6.634 -7.575 1.922 1.00 52.45 H new ATOM 0 HH2 TRP A 29 6.271 -9.161 3.769 1.00 64.15 H new ATOM 322 N CYS A 30 2.286 -0.521 2.625 1.00 62.40 N ATOM 323 CA CYS A 30 2.287 0.687 1.808 1.00 2.11 C ATOM 324 C CYS A 30 3.257 1.722 2.370 1.00 53.52 C ATOM 325 O CYS A 30 2.858 2.718 2.974 1.00 52.42 O ATOM 326 CB CYS A 30 0.879 1.278 1.732 1.00 74.04 C ATOM 327 SG CYS A 30 0.607 2.357 0.306 1.00 43.24 S ATOM 0 H CYS A 30 2.522 -0.368 3.605 1.00 62.40 H new ATOM 0 HA CYS A 30 2.614 0.417 0.804 1.00 2.11 H new ATOM 0 HB2 CYS A 30 0.156 0.463 1.701 1.00 74.04 H new ATOM 0 HB3 CYS A 30 0.684 1.843 2.644 1.00 74.04 H new ATOM 0 HG CYS A 30 -0.613 2.806 0.328 1.00 43.24 H new ATOM 333 N PRO A 31 4.561 1.483 2.170 1.00 54.31 N ATOM 334 CA PRO A 31 5.614 2.383 2.650 1.00 33.34 C ATOM 335 C PRO A 31 5.640 3.703 1.889 1.00 15.31 C ATOM 336 O PRO A 31 6.327 4.647 2.283 1.00 35.04 O ATOM 337 CB PRO A 31 6.900 1.592 2.393 1.00 13.43 C ATOM 338 CG PRO A 31 6.558 0.667 1.277 1.00 24.45 C ATOM 339 CD PRO A 31 5.108 0.316 1.459 1.00 61.41 C ATOM 0 HA PRO A 31 5.469 2.660 3.694 1.00 33.34 H new ATOM 0 HB2 PRO A 31 7.724 2.252 2.122 1.00 13.43 H new ATOM 0 HB3 PRO A 31 7.211 1.043 3.281 1.00 13.43 H new ATOM 0 HG2 PRO A 31 6.726 1.143 0.311 1.00 24.45 H new ATOM 0 HG3 PRO A 31 7.182 -0.226 1.305 1.00 24.45 H new ATOM 0 HD2 PRO A 31 4.610 0.158 0.502 1.00 61.41 H new ATOM 0 HD3 PRO A 31 4.986 -0.600 2.037 1.00 61.41 H new ATOM 347 N THR A 32 4.885 3.766 0.795 1.00 64.00 N ATOM 348 CA THR A 32 4.823 4.971 -0.021 1.00 71.44 C ATOM 349 C THR A 32 4.380 6.173 0.805 1.00 71.43 C ATOM 350 O THR A 32 4.689 7.317 0.470 1.00 72.12 O ATOM 351 CB THR A 32 3.856 4.796 -1.208 1.00 61.33 C ATOM 352 OG1 THR A 32 4.288 3.709 -2.035 1.00 3.24 O ATOM 353 CG2 THR A 32 3.779 6.069 -2.036 1.00 62.32 C ATOM 0 H THR A 32 4.309 2.996 0.455 1.00 64.00 H new ATOM 0 HA THR A 32 5.829 5.146 -0.402 1.00 71.44 H new ATOM 0 HB THR A 32 2.864 4.579 -0.811 1.00 61.33 H new ATOM 0 HG1 THR A 32 3.563 3.056 -2.122 1.00 3.24 H new ATOM 0 HG21 THR A 32 3.090 5.921 -2.868 1.00 62.32 H new ATOM 0 HG22 THR A 32 3.423 6.888 -1.411 1.00 62.32 H new ATOM 0 HG23 THR A 32 4.769 6.312 -2.423 1.00 62.32 H new ATOM 361 N SER A 33 3.657 5.907 1.888 1.00 23.45 N ATOM 362 CA SER A 33 3.170 6.968 2.761 1.00 31.02 C ATOM 363 C SER A 33 4.332 7.716 3.409 1.00 12.00 C ATOM 364 O SER A 33 4.905 7.260 4.400 1.00 55.53 O ATOM 365 CB SER A 33 2.256 6.388 3.843 1.00 31.31 C ATOM 366 OG SER A 33 1.390 7.380 4.365 1.00 52.04 O ATOM 0 H SER A 33 3.396 4.966 2.182 1.00 23.45 H new ATOM 0 HA SER A 33 2.601 7.672 2.153 1.00 31.02 H new ATOM 0 HB2 SER A 33 1.668 5.570 3.427 1.00 31.31 H new ATOM 0 HB3 SER A 33 2.860 5.969 4.647 1.00 31.31 H new ATOM 0 HG SER A 33 0.816 6.984 5.053 1.00 52.04 H new ATOM 372 N THR A 34 4.676 8.867 2.841 1.00 54.22 N ATOM 373 CA THR A 34 5.769 9.679 3.359 1.00 10.25 C ATOM 374 C THR A 34 5.253 10.758 4.305 1.00 25.24 C ATOM 375 O THR A 34 5.863 11.817 4.445 1.00 51.23 O ATOM 376 CB THR A 34 6.563 10.347 2.221 1.00 34.42 C ATOM 377 OG1 THR A 34 6.708 9.436 1.126 1.00 43.43 O ATOM 378 CG2 THR A 34 7.935 10.790 2.705 1.00 0.35 C ATOM 0 H THR A 34 4.213 9.258 2.021 1.00 54.22 H new ATOM 0 HA THR A 34 6.430 9.006 3.906 1.00 10.25 H new ATOM 0 HB THR A 34 6.012 11.227 1.890 1.00 34.42 H new ATOM 0 HG1 THR A 34 7.361 8.744 1.360 1.00 43.43 H new ATOM 0 HG21 THR A 34 8.477 11.259 1.884 1.00 0.35 H new ATOM 0 HG22 THR A 34 7.820 11.506 3.519 1.00 0.35 H new ATOM 0 HG23 THR A 34 8.493 9.923 3.060 1.00 0.35 H new ATOM 386 N SER A 35 4.126 10.481 4.953 1.00 75.44 N ATOM 387 CA SER A 35 3.525 11.429 5.883 1.00 44.04 C ATOM 388 C SER A 35 4.491 11.763 7.017 1.00 14.21 C ATOM 389 O SER A 35 5.646 11.335 7.011 1.00 53.51 O ATOM 390 CB SER A 35 2.225 10.862 6.456 1.00 61.12 C ATOM 391 OG SER A 35 1.273 11.889 6.672 1.00 22.41 O ATOM 0 H SER A 35 3.611 9.607 4.851 1.00 75.44 H new ATOM 0 HA SER A 35 3.302 12.345 5.336 1.00 44.04 H new ATOM 0 HB2 SER A 35 1.815 10.120 5.771 1.00 61.12 H new ATOM 0 HB3 SER A 35 2.431 10.349 7.395 1.00 61.12 H new ATOM 0 HG SER A 35 0.450 11.501 7.037 1.00 22.41 H new ATOM 397 N HIS A 36 4.009 12.531 7.990 1.00 74.42 N ATOM 398 CA HIS A 36 4.828 12.923 9.131 1.00 34.50 C ATOM 399 C HIS A 36 4.031 13.792 10.098 1.00 62.10 C ATOM 400 O HIS A 36 3.991 13.526 11.300 1.00 1.21 O ATOM 401 CB HIS A 36 6.073 13.673 8.659 1.00 2.21 C ATOM 402 CG HIS A 36 5.787 14.714 7.621 1.00 51.34 C ATOM 403 ND1 HIS A 36 5.757 16.065 7.898 1.00 52.23 N ATOM 404 CD2 HIS A 36 5.519 14.597 6.299 1.00 12.35 C ATOM 405 CE1 HIS A 36 5.481 16.733 6.793 1.00 61.14 C ATOM 406 NE2 HIS A 36 5.332 15.865 5.808 1.00 51.54 N ATOM 0 H HIS A 36 3.056 12.894 8.011 1.00 74.42 H new ATOM 0 HA HIS A 36 5.136 12.018 9.654 1.00 34.50 H new ATOM 0 HB2 HIS A 36 6.548 14.148 9.517 1.00 2.21 H new ATOM 0 HB3 HIS A 36 6.788 12.956 8.255 1.00 2.21 H new ATOM 0 HD2 HIS A 36 5.463 13.677 5.736 1.00 12.35 H new ATOM 0 HE1 HIS A 36 5.392 17.806 6.709 1.00 61.14 H new ATOM 0 HE2 HIS A 36 5.113 16.099 4.840 1.00 51.54 H new ATOM 414 N LEU A 37 3.399 14.833 9.567 1.00 73.04 N ATOM 415 CA LEU A 37 2.603 15.743 10.383 1.00 43.14 C ATOM 416 C LEU A 37 1.116 15.426 10.260 1.00 45.13 C ATOM 417 O LEU A 37 0.328 16.257 9.808 1.00 62.33 O ATOM 418 CB LEU A 37 2.863 17.192 9.967 1.00 20.25 C ATOM 419 CG LEU A 37 4.156 17.818 10.490 1.00 5.13 C ATOM 420 CD1 LEU A 37 4.600 18.959 9.588 1.00 71.11 C ATOM 421 CD2 LEU A 37 3.971 18.307 11.920 1.00 41.45 C ATOM 0 H LEU A 37 3.422 15.068 8.575 1.00 73.04 H new ATOM 0 HA LEU A 37 2.899 15.611 11.424 1.00 43.14 H new ATOM 0 HB2 LEU A 37 2.874 17.240 8.878 1.00 20.25 H new ATOM 0 HB3 LEU A 37 2.025 17.802 10.305 1.00 20.25 H new ATOM 0 HG LEU A 37 4.934 17.055 10.485 1.00 5.13 H new ATOM 0 HD11 LEU A 37 5.522 19.392 9.976 1.00 71.11 H new ATOM 0 HD12 LEU A 37 4.773 18.580 8.581 1.00 71.11 H new ATOM 0 HD13 LEU A 37 3.824 19.724 9.560 1.00 71.11 H new ATOM 0 HD21 LEU A 37 4.901 18.750 12.276 1.00 41.45 H new ATOM 0 HD22 LEU A 37 3.179 19.055 11.949 1.00 41.45 H new ATOM 0 HD23 LEU A 37 3.701 17.467 12.560 1.00 41.45 H new ATOM 433 N LYS A 38 0.738 14.219 10.669 1.00 72.35 N ATOM 434 CA LYS A 38 -0.655 13.791 10.609 1.00 42.44 C ATOM 435 C LYS A 38 -1.565 14.806 11.294 1.00 13.23 C ATOM 436 O LYS A 38 -1.136 15.530 12.192 1.00 31.45 O ATOM 437 CB LYS A 38 -0.817 12.419 11.265 1.00 51.14 C ATOM 438 CG LYS A 38 -0.609 11.258 10.307 1.00 12.20 C ATOM 439 CD LYS A 38 0.855 11.098 9.934 1.00 11.54 C ATOM 440 CE LYS A 38 1.675 10.584 11.108 1.00 64.34 C ATOM 441 NZ LYS A 38 3.032 10.141 10.683 1.00 23.23 N ATOM 0 H LYS A 38 1.378 13.520 11.046 1.00 72.35 H new ATOM 0 HA LYS A 38 -0.943 13.721 9.560 1.00 42.44 H new ATOM 0 HB2 LYS A 38 -0.106 12.333 12.087 1.00 51.14 H new ATOM 0 HB3 LYS A 38 -1.815 12.348 11.697 1.00 51.14 H new ATOM 0 HG2 LYS A 38 -0.971 10.338 10.765 1.00 12.20 H new ATOM 0 HG3 LYS A 38 -1.200 11.419 9.405 1.00 12.20 H new ATOM 0 HD2 LYS A 38 0.945 10.407 9.096 1.00 11.54 H new ATOM 0 HD3 LYS A 38 1.254 12.056 9.602 1.00 11.54 H new ATOM 0 HE2 LYS A 38 1.767 11.369 11.858 1.00 64.34 H new ATOM 0 HE3 LYS A 38 1.152 9.752 11.580 1.00 64.34 H new ATOM 0 HZ1 LYS A 38 3.674 10.154 11.501 1.00 23.23 H new ATOM 0 HZ2 LYS A 38 2.978 9.175 10.301 1.00 23.23 H new ATOM 0 HZ3 LYS A 38 3.393 10.784 9.950 1.00 23.23 H new ATOM 455 N GLU A 39 -2.822 14.851 10.865 1.00 0.24 N ATOM 456 CA GLU A 39 -3.792 15.776 11.440 1.00 72.21 C ATOM 457 C GLU A 39 -3.986 15.505 12.929 1.00 53.21 C ATOM 458 O GLU A 39 -3.241 14.735 13.533 1.00 63.21 O ATOM 459 CB GLU A 39 -5.132 15.662 10.710 1.00 72.01 C ATOM 460 CG GLU A 39 -5.834 14.332 10.929 1.00 50.12 C ATOM 461 CD GLU A 39 -6.864 14.032 9.857 1.00 45.43 C ATOM 462 OE1 GLU A 39 -6.547 14.213 8.663 1.00 52.03 O ATOM 463 OE2 GLU A 39 -7.986 13.617 10.213 1.00 32.52 O ATOM 0 H GLU A 39 -3.193 14.259 10.122 1.00 0.24 H new ATOM 0 HA GLU A 39 -3.406 16.788 11.321 1.00 72.21 H new ATOM 0 HB2 GLU A 39 -5.787 16.468 11.042 1.00 72.01 H new ATOM 0 HB3 GLU A 39 -4.968 15.805 9.642 1.00 72.01 H new ATOM 0 HG2 GLU A 39 -5.093 13.533 10.949 1.00 50.12 H new ATOM 0 HG3 GLU A 39 -6.321 14.339 11.904 1.00 50.12 H new ATOM 470 N ALA A 40 -4.994 16.145 13.514 1.00 71.21 N ATOM 471 CA ALA A 40 -5.288 15.973 14.931 1.00 31.33 C ATOM 472 C ALA A 40 -5.619 14.519 15.250 1.00 11.44 C ATOM 473 O ALA A 40 -6.758 14.083 15.082 1.00 21.43 O ATOM 474 CB ALA A 40 -6.436 16.881 15.346 1.00 4.41 C ATOM 0 H ALA A 40 -5.620 16.787 13.028 1.00 71.21 H new ATOM 0 HA ALA A 40 -4.399 16.249 15.497 1.00 31.33 H new ATOM 0 HB1 ALA A 40 -6.645 16.742 16.407 1.00 4.41 H new ATOM 0 HB2 ALA A 40 -6.162 17.920 15.163 1.00 4.41 H new ATOM 0 HB3 ALA A 40 -7.325 16.632 14.766 1.00 4.41 H new ATOM 480 N GLU A 41 -4.618 13.776 15.710 1.00 23.02 N ATOM 481 CA GLU A 41 -4.805 12.370 16.050 1.00 11.54 C ATOM 482 C GLU A 41 -3.506 11.759 16.568 1.00 72.23 C ATOM 483 O GLU A 41 -2.498 12.449 16.712 1.00 21.22 O ATOM 484 CB GLU A 41 -5.301 11.589 14.832 1.00 4.14 C ATOM 485 CG GLU A 41 -4.509 11.869 13.566 1.00 41.41 C ATOM 486 CD GLU A 41 -4.171 10.607 12.797 1.00 21.30 C ATOM 487 OE1 GLU A 41 -5.052 9.729 12.683 1.00 11.32 O ATOM 488 OE2 GLU A 41 -3.026 10.497 12.309 1.00 12.14 O ATOM 0 H GLU A 41 -3.670 14.123 15.856 1.00 23.02 H new ATOM 0 HA GLU A 41 -5.554 12.309 16.839 1.00 11.54 H new ATOM 0 HB2 GLU A 41 -5.254 10.522 15.051 1.00 4.14 H new ATOM 0 HB3 GLU A 41 -6.349 11.833 14.657 1.00 4.14 H new ATOM 0 HG2 GLU A 41 -5.082 12.538 12.924 1.00 41.41 H new ATOM 0 HG3 GLU A 41 -3.587 12.389 13.826 1.00 41.41 H new ATOM 495 N GLU A 42 -3.540 10.459 16.845 1.00 32.21 N ATOM 496 CA GLU A 42 -2.366 9.754 17.347 1.00 51.30 C ATOM 497 C GLU A 42 -1.240 9.771 16.318 1.00 40.23 C ATOM 498 O GLU A 42 -1.447 9.448 15.149 1.00 41.24 O ATOM 499 CB GLU A 42 -2.725 8.310 17.704 1.00 60.23 C ATOM 500 CG GLU A 42 -2.398 7.939 19.141 1.00 52.11 C ATOM 501 CD GLU A 42 -0.907 7.829 19.390 1.00 3.21 C ATOM 502 OE1 GLU A 42 -0.134 7.905 18.412 1.00 75.21 O ATOM 503 OE2 GLU A 42 -0.510 7.667 20.563 1.00 13.41 O ATOM 0 H GLU A 42 -4.367 9.873 16.730 1.00 32.21 H new ATOM 0 HA GLU A 42 -2.022 10.267 18.245 1.00 51.30 H new ATOM 0 HB2 GLU A 42 -3.790 8.156 17.531 1.00 60.23 H new ATOM 0 HB3 GLU A 42 -2.193 7.636 17.033 1.00 60.23 H new ATOM 0 HG2 GLU A 42 -2.820 8.688 19.811 1.00 52.11 H new ATOM 0 HG3 GLU A 42 -2.874 6.989 19.384 1.00 52.11 H new ATOM 510 N LYS A 43 -0.046 10.151 16.762 1.00 32.22 N ATOM 511 CA LYS A 43 1.114 10.210 15.881 1.00 5.35 C ATOM 512 C LYS A 43 1.576 8.809 15.497 1.00 62.35 C ATOM 513 O LYS A 43 1.400 7.880 16.282 1.00 72.33 O ATOM 514 CB LYS A 43 2.257 10.967 16.562 1.00 4.34 C ATOM 515 CG LYS A 43 3.441 11.230 15.648 1.00 3.22 C ATOM 516 CD LYS A 43 4.383 12.267 16.239 1.00 21.41 C ATOM 517 CE LYS A 43 5.414 12.729 15.221 1.00 1.23 C ATOM 518 NZ LYS A 43 6.449 13.603 15.838 1.00 70.54 N ATOM 0 H LYS A 43 0.143 10.423 17.727 1.00 32.22 H new ATOM 0 HA LYS A 43 0.825 10.739 14.973 1.00 5.35 H new ATOM 0 HB2 LYS A 43 1.879 11.918 16.936 1.00 4.34 H new ATOM 0 HB3 LYS A 43 2.596 10.396 17.426 1.00 4.34 H new ATOM 0 HG2 LYS A 43 3.983 10.300 15.477 1.00 3.22 H new ATOM 0 HG3 LYS A 43 3.083 11.573 14.677 1.00 3.22 H new ATOM 0 HD2 LYS A 43 3.808 13.124 16.590 1.00 21.41 H new ATOM 0 HD3 LYS A 43 4.891 11.846 17.107 1.00 21.41 H new ATOM 0 HE2 LYS A 43 5.894 11.860 14.770 1.00 1.23 H new ATOM 0 HE3 LYS A 43 4.914 13.270 14.417 1.00 1.23 H new ATOM 0 HZ1 LYS A 43 7.133 13.897 15.112 1.00 70.54 H new ATOM 0 HZ2 LYS A 43 5.994 14.445 16.246 1.00 70.54 H new ATOM 0 HZ3 LYS A 43 6.944 13.079 16.588 1.00 70.54 H new TER 532 LYS A 43