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= -0.238 USER MOD Single : A 23 THR OG1 : rot -88:sc= 1.28 USER MOD Single : A 28 THR OG1 : rot -28:sc= 0.266 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -29:sc= 0.329 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 38 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.327) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 1.567 -15.623 12.972 1.00 54.25 N ATOM 2 CA GLY A 5 0.537 -14.794 12.371 1.00 43.34 C ATOM 3 C GLY A 5 0.868 -13.316 12.443 1.00 50.13 C ATOM 4 O GLY A 5 0.313 -12.513 11.694 1.00 23.10 O ATOM 0 HA2 GLY A 5 0.404 -15.083 11.328 1.00 43.34 H new ATOM 0 HA3 GLY A 5 -0.412 -14.976 12.876 1.00 43.34 H new ATOM 8 N ALA A 6 1.774 -12.957 13.347 1.00 71.53 N ATOM 9 CA ALA A 6 2.177 -11.566 13.513 1.00 22.32 C ATOM 10 C ALA A 6 3.361 -11.227 12.614 1.00 3.32 C ATOM 11 O ALA A 6 4.004 -12.117 12.057 1.00 43.34 O ATOM 12 CB ALA A 6 2.519 -11.286 14.969 1.00 31.52 C ATOM 0 H ALA A 6 2.242 -13.610 13.975 1.00 71.53 H new ATOM 0 HA ALA A 6 1.339 -10.933 13.220 1.00 22.32 H new ATOM 0 HB1 ALA A 6 2.818 -10.244 15.078 1.00 31.52 H new ATOM 0 HB2 ALA A 6 1.646 -11.480 15.592 1.00 31.52 H new ATOM 0 HB3 ALA A 6 3.338 -11.933 15.281 1.00 31.52 H new ATOM 18 N MET A 7 3.645 -9.936 12.479 1.00 1.43 N ATOM 19 CA MET A 7 4.754 -9.480 11.648 1.00 20.24 C ATOM 20 C MET A 7 5.153 -8.053 12.009 1.00 35.43 C ATOM 21 O MET A 7 4.451 -7.372 12.756 1.00 32.21 O ATOM 22 CB MET A 7 4.375 -9.558 10.167 1.00 21.33 C ATOM 23 CG MET A 7 3.001 -8.982 9.861 1.00 61.34 C ATOM 24 SD MET A 7 2.517 -9.221 8.140 1.00 0.41 S ATOM 25 CE MET A 7 1.267 -10.491 8.314 1.00 33.31 C ATOM 0 H MET A 7 3.123 -9.187 12.934 1.00 1.43 H new ATOM 0 HA MET A 7 5.607 -10.134 11.832 1.00 20.24 H new ATOM 0 HB2 MET A 7 5.123 -9.024 9.580 1.00 21.33 H new ATOM 0 HB3 MET A 7 4.403 -10.600 9.847 1.00 21.33 H new ATOM 0 HG2 MET A 7 2.262 -9.450 10.511 1.00 61.34 H new ATOM 0 HG3 MET A 7 2.998 -7.917 10.091 1.00 61.34 H new ATOM 0 HE1 MET A 7 0.870 -10.748 7.332 1.00 33.31 H new ATOM 0 HE2 MET A 7 1.709 -11.377 8.770 1.00 33.31 H new ATOM 0 HE3 MET A 7 0.460 -10.123 8.947 1.00 33.31 H new ATOM 35 N GLY A 8 6.284 -7.606 11.473 1.00 55.05 N ATOM 36 CA GLY A 8 6.756 -6.262 11.751 1.00 74.20 C ATOM 37 C GLY A 8 7.761 -5.777 10.724 1.00 3.42 C ATOM 38 O GLY A 8 7.430 -5.613 9.550 1.00 60.50 O ATOM 0 H GLY A 8 6.882 -8.150 10.851 1.00 55.05 H new ATOM 0 HA2 GLY A 8 5.907 -5.579 11.774 1.00 74.20 H new ATOM 0 HA3 GLY A 8 7.212 -6.238 12.741 1.00 74.20 H new ATOM 42 N SER A 9 8.992 -5.543 11.168 1.00 24.45 N ATOM 43 CA SER A 9 10.047 -5.068 10.282 1.00 73.22 C ATOM 44 C SER A 9 9.705 -3.692 9.719 1.00 52.11 C ATOM 45 O SER A 9 8.548 -3.274 9.731 1.00 3.23 O ATOM 46 CB SER A 9 10.265 -6.060 9.137 1.00 5.31 C ATOM 47 OG SER A 9 10.239 -7.396 9.608 1.00 33.33 O ATOM 0 H SER A 9 9.283 -5.675 12.137 1.00 24.45 H new ATOM 0 HA SER A 9 10.966 -4.986 10.863 1.00 73.22 H new ATOM 0 HB2 SER A 9 9.492 -5.923 8.381 1.00 5.31 H new ATOM 0 HB3 SER A 9 11.222 -5.859 8.655 1.00 5.31 H new ATOM 0 HG SER A 9 10.379 -8.010 8.857 1.00 33.33 H new ATOM 53 N VAL A 10 10.722 -2.993 9.226 1.00 54.25 N ATOM 54 CA VAL A 10 10.531 -1.663 8.657 1.00 74.41 C ATOM 55 C VAL A 10 10.084 -1.747 7.201 1.00 60.34 C ATOM 56 O VAL A 10 10.118 -2.817 6.592 1.00 55.12 O ATOM 57 CB VAL A 10 11.822 -0.827 8.737 1.00 21.25 C ATOM 58 CG1 VAL A 10 12.158 -0.504 10.186 1.00 72.11 C ATOM 59 CG2 VAL A 10 12.973 -1.559 8.064 1.00 3.52 C ATOM 0 H VAL A 10 11.686 -3.325 9.209 1.00 54.25 H new ATOM 0 HA VAL A 10 9.754 -1.176 9.246 1.00 74.41 H new ATOM 0 HB VAL A 10 11.661 0.112 8.208 1.00 21.25 H new ATOM 0 HG11 VAL A 10 13.073 0.087 10.224 1.00 72.11 H new ATOM 0 HG12 VAL A 10 11.341 0.063 10.631 1.00 72.11 H new ATOM 0 HG13 VAL A 10 12.301 -1.431 10.742 1.00 72.11 H new ATOM 0 HG21 VAL A 10 13.877 -0.954 8.130 1.00 3.52 H new ATOM 0 HG22 VAL A 10 13.138 -2.514 8.563 1.00 3.52 H new ATOM 0 HG23 VAL A 10 12.729 -1.735 7.016 1.00 3.52 H new ATOM 69 N ASP A 11 9.665 -0.614 6.650 1.00 0.52 N ATOM 70 CA ASP A 11 9.213 -0.558 5.265 1.00 34.14 C ATOM 71 C ASP A 11 10.241 0.144 4.385 1.00 74.31 C ATOM 72 O ASP A 11 11.322 0.508 4.847 1.00 54.40 O ATOM 73 CB ASP A 11 7.867 0.164 5.175 1.00 71.22 C ATOM 74 CG ASP A 11 7.863 1.477 5.932 1.00 0.22 C ATOM 75 OD1 ASP A 11 8.519 2.432 5.465 1.00 42.10 O ATOM 76 OD2 ASP A 11 7.206 1.551 6.991 1.00 33.44 O ATOM 0 H ASP A 11 9.629 0.279 7.142 1.00 0.52 H new ATOM 0 HA ASP A 11 9.093 -1.580 4.906 1.00 34.14 H new ATOM 0 HB2 ASP A 11 7.627 0.351 4.128 1.00 71.22 H new ATOM 0 HB3 ASP A 11 7.084 -0.483 5.571 1.00 71.22 H new ATOM 81 N SER A 12 9.897 0.330 3.114 1.00 25.32 N ATOM 82 CA SER A 12 10.793 0.984 2.168 1.00 42.13 C ATOM 83 C SER A 12 10.116 2.188 1.522 1.00 1.25 C ATOM 84 O SER A 12 10.722 3.249 1.372 1.00 31.43 O ATOM 85 CB SER A 12 11.238 -0.004 1.088 1.00 72.03 C ATOM 86 OG SER A 12 12.623 0.128 0.815 1.00 53.10 O ATOM 0 H SER A 12 9.005 0.037 2.716 1.00 25.32 H new ATOM 0 HA SER A 12 11.669 1.332 2.716 1.00 42.13 H new ATOM 0 HB2 SER A 12 11.023 -1.022 1.412 1.00 72.03 H new ATOM 0 HB3 SER A 12 10.666 0.168 0.176 1.00 72.03 H new ATOM 0 HG SER A 12 12.883 -0.515 0.123 1.00 53.10 H new ATOM 92 N ALA A 13 8.854 2.017 1.143 1.00 15.12 N ATOM 93 CA ALA A 13 8.092 3.090 0.515 1.00 24.33 C ATOM 94 C ALA A 13 8.708 3.492 -0.820 1.00 71.11 C ATOM 95 O ALA A 13 9.748 4.149 -0.862 1.00 24.21 O ATOM 96 CB ALA A 13 8.010 4.292 1.444 1.00 10.24 C ATOM 0 H ALA A 13 8.337 1.145 1.260 1.00 15.12 H new ATOM 0 HA ALA A 13 7.084 2.723 0.324 1.00 24.33 H new ATOM 0 HB1 ALA A 13 7.438 5.086 0.963 1.00 10.24 H new ATOM 0 HB2 ALA A 13 7.517 4.002 2.372 1.00 10.24 H new ATOM 0 HB3 ALA A 13 9.015 4.651 1.664 1.00 10.24 H new ATOM 102 N ASP A 14 8.059 3.094 -1.909 1.00 72.43 N ATOM 103 CA ASP A 14 8.544 3.413 -3.247 1.00 72.00 C ATOM 104 C ASP A 14 7.530 4.267 -4.002 1.00 72.20 C ATOM 105 O ASP A 14 7.889 5.258 -4.638 1.00 24.11 O ATOM 106 CB ASP A 14 8.831 2.130 -4.029 1.00 2.02 C ATOM 107 CG ASP A 14 10.316 1.881 -4.208 1.00 10.34 C ATOM 108 OD1 ASP A 14 11.053 2.855 -4.470 1.00 52.02 O ATOM 109 OD2 ASP A 14 10.741 0.714 -4.084 1.00 3.34 O ATOM 0 H ASP A 14 7.196 2.550 -1.892 1.00 72.43 H new ATOM 0 HA ASP A 14 9.469 3.981 -3.146 1.00 72.00 H new ATOM 0 HB2 ASP A 14 8.384 1.283 -3.509 1.00 2.02 H new ATOM 0 HB3 ASP A 14 8.355 2.190 -5.008 1.00 2.02 H new ATOM 114 N ALA A 15 6.262 3.874 -3.929 1.00 11.43 N ATOM 115 CA ALA A 15 5.197 4.605 -4.604 1.00 75.32 C ATOM 116 C ALA A 15 3.863 4.413 -3.892 1.00 35.55 C ATOM 117 O ALA A 15 2.938 3.809 -4.436 1.00 23.34 O ATOM 118 CB ALA A 15 5.090 4.160 -6.056 1.00 71.04 C ATOM 0 H ALA A 15 5.948 3.054 -3.410 1.00 11.43 H new ATOM 0 HA ALA A 15 5.445 5.666 -4.577 1.00 75.32 H new ATOM 0 HB1 ALA A 15 4.291 4.714 -6.548 1.00 71.04 H new ATOM 0 HB2 ALA A 15 6.033 4.354 -6.566 1.00 71.04 H new ATOM 0 HB3 ALA A 15 4.869 3.093 -6.094 1.00 71.04 H new ATOM 124 N GLY A 16 3.769 4.929 -2.670 1.00 21.30 N ATOM 125 CA GLY A 16 2.543 4.803 -1.903 1.00 2.02 C ATOM 126 C GLY A 16 1.360 5.460 -2.586 1.00 43.24 C ATOM 127 O GLY A 16 0.209 5.174 -2.261 1.00 13.41 O ATOM 0 H GLY A 16 4.520 5.432 -2.197 1.00 21.30 H new ATOM 0 HA2 GLY A 16 2.325 3.747 -1.743 1.00 2.02 H new ATOM 0 HA3 GLY A 16 2.686 5.252 -0.920 1.00 2.02 H new ATOM 131 N GLY A 17 1.646 6.346 -3.536 1.00 13.11 N ATOM 132 CA GLY A 17 0.586 7.033 -4.251 1.00 12.52 C ATOM 133 C GLY A 17 -0.411 6.076 -4.872 1.00 62.42 C ATOM 134 O GLY A 17 -0.240 4.859 -4.803 1.00 13.44 O ATOM 0 H GLY A 17 2.591 6.600 -3.823 1.00 13.11 H new ATOM 0 HA2 GLY A 17 0.065 7.702 -3.566 1.00 12.52 H new ATOM 0 HA3 GLY A 17 1.023 7.655 -5.032 1.00 12.52 H new ATOM 138 N GLY A 18 -1.458 6.626 -5.480 1.00 60.52 N ATOM 139 CA GLY A 18 -2.472 5.797 -6.106 1.00 3.02 C ATOM 140 C GLY A 18 -2.989 6.391 -7.401 1.00 60.12 C ATOM 141 O GLY A 18 -2.932 7.605 -7.601 1.00 21.41 O ATOM 0 H GLY A 18 -1.622 7.630 -5.550 1.00 60.52 H new ATOM 0 HA2 GLY A 18 -2.057 4.808 -6.303 1.00 3.02 H new ATOM 0 HA3 GLY A 18 -3.304 5.662 -5.415 1.00 3.02 H new ATOM 145 N SER A 19 -3.492 5.535 -8.284 1.00 32.14 N ATOM 146 CA SER A 19 -4.016 5.982 -9.569 1.00 1.22 C ATOM 147 C SER A 19 -5.087 5.023 -10.081 1.00 55.42 C ATOM 148 O SER A 19 -6.043 5.437 -10.737 1.00 74.33 O ATOM 149 CB SER A 19 -2.885 6.095 -10.593 1.00 34.31 C ATOM 150 OG SER A 19 -1.695 6.572 -9.988 1.00 70.42 O ATOM 0 H SER A 19 -3.548 4.528 -8.133 1.00 32.14 H new ATOM 0 HA SER A 19 -4.468 6.964 -9.428 1.00 1.22 H new ATOM 0 HB2 SER A 19 -2.701 5.121 -11.046 1.00 34.31 H new ATOM 0 HB3 SER A 19 -3.183 6.768 -11.396 1.00 34.31 H new ATOM 0 HG SER A 19 -0.987 6.634 -10.663 1.00 70.42 H new ATOM 156 N GLY A 20 -4.920 3.740 -9.778 1.00 10.42 N ATOM 157 CA GLY A 20 -5.879 2.743 -10.215 1.00 41.33 C ATOM 158 C GLY A 20 -5.953 1.558 -9.273 1.00 63.13 C ATOM 159 O GLY A 20 -6.747 1.552 -8.333 1.00 51.31 O ATOM 0 H GLY A 20 -4.137 3.373 -9.237 1.00 10.42 H new ATOM 0 HA2 GLY A 20 -6.865 3.202 -10.295 1.00 41.33 H new ATOM 0 HA3 GLY A 20 -5.608 2.395 -11.212 1.00 41.33 H new ATOM 163 N TRP A 21 -5.124 0.551 -9.526 1.00 31.41 N ATOM 164 CA TRP A 21 -5.101 -0.647 -8.694 1.00 21.51 C ATOM 165 C TRP A 21 -4.876 -0.288 -7.229 1.00 42.03 C ATOM 166 O TRP A 21 -5.284 -1.024 -6.329 1.00 54.43 O ATOM 167 CB TRP A 21 -4.007 -1.603 -9.171 1.00 42.32 C ATOM 168 CG TRP A 21 -2.845 -0.905 -9.813 1.00 21.33 C ATOM 169 CD1 TRP A 21 -2.215 0.220 -9.362 1.00 31.04 C ATOM 170 CD2 TRP A 21 -2.178 -1.284 -11.021 1.00 32.35 C ATOM 171 NE1 TRP A 21 -1.197 0.562 -10.217 1.00 44.23 N ATOM 172 CE2 TRP A 21 -1.153 -0.345 -11.242 1.00 62.25 C ATOM 173 CE3 TRP A 21 -2.346 -2.327 -11.936 1.00 34.10 C ATOM 174 CZ2 TRP A 21 -0.301 -0.419 -12.342 1.00 41.43 C ATOM 175 CZ3 TRP A 21 -1.501 -2.399 -13.026 1.00 54.44 C ATOM 176 CH2 TRP A 21 -0.488 -1.450 -13.223 1.00 5.34 C ATOM 0 H TRP A 21 -4.460 0.540 -10.300 1.00 31.41 H new ATOM 0 HA TRP A 21 -6.069 -1.140 -8.784 1.00 21.51 H new ATOM 0 HB2 TRP A 21 -3.648 -2.185 -8.322 1.00 42.32 H new ATOM 0 HB3 TRP A 21 -4.436 -2.308 -9.883 1.00 42.32 H new ATOM 0 HD1 TRP A 21 -2.479 0.761 -8.465 1.00 31.04 H new ATOM 0 HE1 TRP A 21 -0.574 1.362 -10.107 1.00 44.23 H new ATOM 0 HE3 TRP A 21 -3.123 -3.064 -11.793 1.00 34.10 H new ATOM 0 HZ2 TRP A 21 0.480 0.312 -12.494 1.00 41.43 H new ATOM 0 HZ3 TRP A 21 -1.623 -3.201 -13.739 1.00 54.44 H new ATOM 0 HH2 TRP A 21 0.157 -1.534 -14.086 1.00 5.34 H new ATOM 187 N LEU A 22 -4.225 0.847 -6.996 1.00 61.00 N ATOM 188 CA LEU A 22 -3.946 1.304 -5.640 1.00 31.02 C ATOM 189 C LEU A 22 -5.233 1.712 -4.927 1.00 63.15 C ATOM 190 O LEU A 22 -5.201 2.201 -3.797 1.00 73.13 O ATOM 191 CB LEU A 22 -2.970 2.481 -5.667 1.00 32.34 C ATOM 192 CG LEU A 22 -1.537 2.155 -6.090 1.00 23.21 C ATOM 193 CD1 LEU A 22 -1.283 0.658 -6.003 1.00 74.30 C ATOM 194 CD2 LEU A 22 -1.267 2.664 -7.498 1.00 50.42 C ATOM 0 H LEU A 22 -3.881 1.467 -7.729 1.00 61.00 H new ATOM 0 HA LEU A 22 -3.494 0.478 -5.091 1.00 31.02 H new ATOM 0 HB2 LEU A 22 -3.364 3.238 -6.344 1.00 32.34 H new ATOM 0 HB3 LEU A 22 -2.942 2.926 -4.673 1.00 32.34 H new ATOM 0 HG LEU A 22 -0.853 2.659 -5.407 1.00 23.21 H new ATOM 0 HD11 LEU A 22 -0.258 0.444 -6.308 1.00 74.30 H new ATOM 0 HD12 LEU A 22 -1.434 0.322 -4.977 1.00 74.30 H new ATOM 0 HD13 LEU A 22 -1.974 0.133 -6.662 1.00 74.30 H new ATOM 0 HD21 LEU A 22 -0.243 2.423 -7.782 1.00 50.42 H new ATOM 0 HD22 LEU A 22 -1.958 2.190 -8.195 1.00 50.42 H new ATOM 0 HD23 LEU A 22 -1.407 3.745 -7.527 1.00 50.42 H new ATOM 206 N THR A 23 -6.363 1.504 -5.594 1.00 22.03 N ATOM 207 CA THR A 23 -7.660 1.848 -5.025 1.00 0.20 C ATOM 208 C THR A 23 -8.112 0.804 -4.012 1.00 65.34 C ATOM 209 O THR A 23 -9.283 0.750 -3.639 1.00 52.12 O ATOM 210 CB THR A 23 -8.736 1.984 -6.119 1.00 62.13 C ATOM 211 OG1 THR A 23 -8.757 0.806 -6.934 1.00 2.42 O ATOM 212 CG2 THR A 23 -8.473 3.204 -6.989 1.00 42.04 C ATOM 0 H THR A 23 -6.407 1.099 -6.529 1.00 22.03 H new ATOM 0 HA THR A 23 -7.539 2.808 -4.523 1.00 0.20 H new ATOM 0 HB THR A 23 -9.704 2.107 -5.633 1.00 62.13 H new ATOM 0 HG1 THR A 23 -8.122 0.908 -7.673 1.00 2.42 H new ATOM 0 HG21 THR A 23 -9.246 3.279 -7.754 1.00 42.04 H new ATOM 0 HG22 THR A 23 -8.486 4.102 -6.371 1.00 42.04 H new ATOM 0 HG23 THR A 23 -7.498 3.107 -7.467 1.00 42.04 H new ATOM 220 N GLY A 24 -7.173 -0.029 -3.568 1.00 11.44 N ATOM 221 CA GLY A 24 -7.494 -1.062 -2.601 1.00 13.41 C ATOM 222 C GLY A 24 -7.229 -2.456 -3.132 1.00 15.52 C ATOM 223 O GLY A 24 -8.114 -3.312 -3.114 1.00 53.31 O ATOM 0 H GLY A 24 -6.196 -0.006 -3.862 1.00 11.44 H new ATOM 0 HA2 GLY A 24 -6.907 -0.904 -1.696 1.00 13.41 H new ATOM 0 HA3 GLY A 24 -8.543 -0.978 -2.319 1.00 13.41 H new ATOM 227 N TRP A 25 -6.011 -2.684 -3.609 1.00 3.22 N ATOM 228 CA TRP A 25 -5.634 -3.985 -4.150 1.00 4.54 C ATOM 229 C TRP A 25 -4.371 -4.509 -3.475 1.00 44.22 C ATOM 230 O TRP A 25 -3.515 -5.114 -4.122 1.00 24.13 O ATOM 231 CB TRP A 25 -5.416 -3.888 -5.661 1.00 31.02 C ATOM 232 CG TRP A 25 -4.009 -3.536 -6.037 1.00 73.24 C ATOM 233 CD1 TRP A 25 -3.291 -2.458 -5.608 1.00 44.32 C ATOM 234 CD2 TRP A 25 -3.151 -4.266 -6.922 1.00 72.43 C ATOM 235 NE1 TRP A 25 -2.038 -2.473 -6.173 1.00 2.45 N ATOM 236 CE2 TRP A 25 -1.928 -3.572 -6.982 1.00 43.41 C ATOM 237 CE3 TRP A 25 -3.297 -5.439 -7.668 1.00 21.22 C ATOM 238 CZ2 TRP A 25 -0.859 -4.012 -7.758 1.00 30.23 C ATOM 239 CZ3 TRP A 25 -2.237 -5.874 -8.438 1.00 65.11 C ATOM 240 CH2 TRP A 25 -1.029 -5.163 -8.478 1.00 74.40 C ATOM 0 H TRP A 25 -5.268 -1.986 -3.632 1.00 3.22 H new ATOM 0 HA TRP A 25 -6.447 -4.683 -3.951 1.00 4.54 H new ATOM 0 HB2 TRP A 25 -5.680 -4.840 -6.121 1.00 31.02 H new ATOM 0 HB3 TRP A 25 -6.092 -3.138 -6.071 1.00 31.02 H new ATOM 0 HD1 TRP A 25 -3.654 -1.704 -4.925 1.00 44.32 H new ATOM 0 HE1 TRP A 25 -1.308 -1.778 -6.015 1.00 2.45 H new ATOM 0 HE3 TRP A 25 -4.223 -5.995 -7.642 1.00 21.22 H new ATOM 0 HZ2 TRP A 25 0.071 -3.464 -7.790 1.00 30.23 H new ATOM 0 HZ3 TRP A 25 -2.340 -6.778 -9.020 1.00 65.11 H new ATOM 0 HH2 TRP A 25 -0.218 -5.531 -9.089 1.00 74.40 H new ATOM 251 N LEU A 26 -4.260 -4.274 -2.172 1.00 32.22 N ATOM 252 CA LEU A 26 -3.101 -4.724 -1.409 1.00 62.35 C ATOM 253 C LEU A 26 -3.422 -4.791 0.080 1.00 5.12 C ATOM 254 O LEU A 26 -4.339 -4.135 0.572 1.00 0.12 O ATOM 255 CB LEU A 26 -1.915 -3.787 -1.646 1.00 64.22 C ATOM 256 CG LEU A 26 -2.161 -2.306 -1.355 1.00 23.45 C ATOM 257 CD1 LEU A 26 -0.894 -1.646 -0.834 1.00 24.22 C ATOM 258 CD2 LEU A 26 -2.662 -1.593 -2.603 1.00 44.00 C ATOM 0 H LEU A 26 -4.959 -3.774 -1.622 1.00 32.22 H new ATOM 0 HA LEU A 26 -2.839 -5.725 -1.750 1.00 62.35 H new ATOM 0 HB2 LEU A 26 -1.082 -4.124 -1.029 1.00 64.22 H new ATOM 0 HB3 LEU A 26 -1.602 -3.885 -2.685 1.00 64.22 H new ATOM 0 HG LEU A 26 -2.928 -2.230 -0.585 1.00 23.45 H new ATOM 0 HD11 LEU A 26 -1.089 -0.593 -0.633 1.00 24.22 H new ATOM 0 HD12 LEU A 26 -0.579 -2.139 0.086 1.00 24.22 H new ATOM 0 HD13 LEU A 26 -0.105 -1.733 -1.581 1.00 24.22 H new ATOM 0 HD21 LEU A 26 -2.832 -0.540 -2.377 1.00 44.00 H new ATOM 0 HD22 LEU A 26 -1.918 -1.679 -3.395 1.00 44.00 H new ATOM 0 HD23 LEU A 26 -3.596 -2.049 -2.932 1.00 44.00 H new ATOM 270 N PRO A 27 -2.647 -5.601 0.817 1.00 63.11 N ATOM 271 CA PRO A 27 -2.827 -5.771 2.262 1.00 14.52 C ATOM 272 C PRO A 27 -2.436 -4.522 3.046 1.00 74.14 C ATOM 273 O PRO A 27 -2.281 -3.441 2.476 1.00 71.14 O ATOM 274 CB PRO A 27 -1.889 -6.931 2.602 1.00 22.14 C ATOM 275 CG PRO A 27 -0.844 -6.898 1.541 1.00 51.22 C ATOM 276 CD PRO A 27 -1.534 -6.413 0.296 1.00 31.10 C ATOM 0 HA PRO A 27 -3.869 -5.956 2.524 1.00 14.52 H new ATOM 0 HB2 PRO A 27 -1.451 -6.808 3.593 1.00 22.14 H new ATOM 0 HB3 PRO A 27 -2.421 -7.882 2.604 1.00 22.14 H new ATOM 0 HG2 PRO A 27 -0.027 -6.233 1.819 1.00 51.22 H new ATOM 0 HG3 PRO A 27 -0.412 -7.887 1.388 1.00 51.22 H new ATOM 0 HD2 PRO A 27 -0.865 -5.823 -0.330 1.00 31.10 H new ATOM 0 HD3 PRO A 27 -1.893 -7.242 -0.314 1.00 31.10 H new ATOM 284 N THR A 28 -2.278 -4.677 4.356 1.00 5.12 N ATOM 285 CA THR A 28 -1.906 -3.562 5.218 1.00 23.41 C ATOM 286 C THR A 28 -0.599 -2.926 4.759 1.00 4.45 C ATOM 287 O THR A 28 -0.253 -1.823 5.186 1.00 62.04 O ATOM 288 CB THR A 28 -1.758 -4.011 6.684 1.00 31.22 C ATOM 289 OG1 THR A 28 -1.426 -2.888 7.509 1.00 73.41 O ATOM 290 CG2 THR A 28 -0.685 -5.081 6.818 1.00 42.31 C ATOM 0 H THR A 28 -2.402 -5.564 4.844 1.00 5.12 H new ATOM 0 HA THR A 28 -2.708 -2.827 5.150 1.00 23.41 H new ATOM 0 HB THR A 28 -2.709 -4.432 7.009 1.00 31.22 H new ATOM 0 HG1 THR A 28 -0.945 -2.221 6.976 1.00 73.41 H new ATOM 0 HG21 THR A 28 -0.599 -5.382 7.862 1.00 42.31 H new ATOM 0 HG22 THR A 28 -0.956 -5.946 6.212 1.00 42.31 H new ATOM 0 HG23 THR A 28 0.270 -4.683 6.475 1.00 42.31 H new ATOM 298 N TRP A 29 0.121 -3.624 3.891 1.00 60.25 N ATOM 299 CA TRP A 29 1.391 -3.125 3.374 1.00 74.41 C ATOM 300 C TRP A 29 1.185 -1.847 2.568 1.00 4.40 C ATOM 301 O TRP A 29 0.964 -1.893 1.358 1.00 61.15 O ATOM 302 CB TRP A 29 2.063 -4.188 2.504 1.00 40.31 C ATOM 303 CG TRP A 29 2.467 -5.413 3.267 1.00 23.43 C ATOM 304 CD1 TRP A 29 1.741 -6.054 4.230 1.00 21.31 C ATOM 305 CD2 TRP A 29 3.692 -6.142 3.134 1.00 33.12 C ATOM 306 NE1 TRP A 29 2.441 -7.138 4.703 1.00 41.22 N ATOM 307 CE2 TRP A 29 3.641 -7.214 4.046 1.00 11.24 C ATOM 308 CE3 TRP A 29 4.826 -5.994 2.332 1.00 52.43 C ATOM 309 CZ2 TRP A 29 4.680 -8.130 4.177 1.00 72.13 C ATOM 310 CZ3 TRP A 29 5.858 -6.905 2.462 1.00 51.32 C ATOM 311 CH2 TRP A 29 5.779 -7.962 3.378 1.00 0.33 C ATOM 0 H TRP A 29 -0.152 -4.538 3.529 1.00 60.25 H new ATOM 0 HA TRP A 29 2.037 -2.898 4.222 1.00 74.41 H new ATOM 0 HB2 TRP A 29 1.381 -4.476 1.704 1.00 40.31 H new ATOM 0 HB3 TRP A 29 2.945 -3.756 2.032 1.00 40.31 H new ATOM 0 HD1 TRP A 29 0.761 -5.753 4.570 1.00 21.31 H new ATOM 0 HE1 TRP A 29 2.119 -7.782 5.426 1.00 41.22 H new ATOM 0 HE3 TRP A 29 4.895 -5.182 1.623 1.00 52.43 H new ATOM 0 HZ2 TRP A 29 4.622 -8.945 4.884 1.00 72.13 H new ATOM 0 HZ3 TRP A 29 6.740 -6.800 1.847 1.00 51.32 H new ATOM 0 HH2 TRP A 29 6.601 -8.658 3.455 1.00 0.33 H new ATOM 322 N CYS A 30 1.260 -0.708 3.247 1.00 14.21 N ATOM 323 CA CYS A 30 1.082 0.585 2.593 1.00 62.11 C ATOM 324 C CYS A 30 1.851 1.677 3.330 1.00 20.43 C ATOM 325 O CYS A 30 1.275 2.511 4.029 1.00 62.00 O ATOM 326 CB CYS A 30 -0.403 0.945 2.526 1.00 44.30 C ATOM 327 SG CYS A 30 -0.812 2.153 1.244 1.00 23.30 S ATOM 0 H CYS A 30 1.443 -0.653 4.249 1.00 14.21 H new ATOM 0 HA CYS A 30 1.476 0.510 1.579 1.00 62.11 H new ATOM 0 HB2 CYS A 30 -0.979 0.036 2.351 1.00 44.30 H new ATOM 0 HB3 CYS A 30 -0.715 1.338 3.494 1.00 44.30 H new ATOM 0 HG CYS A 30 -2.090 2.392 1.264 1.00 23.30 H new ATOM 333 N PRO A 31 3.182 1.672 3.172 1.00 13.21 N ATOM 334 CA PRO A 31 4.059 2.656 3.815 1.00 10.23 C ATOM 335 C PRO A 31 3.895 4.052 3.224 1.00 22.22 C ATOM 336 O PRO A 31 4.767 4.540 2.505 1.00 5.43 O ATOM 337 CB PRO A 31 5.463 2.117 3.533 1.00 43.14 C ATOM 338 CG PRO A 31 5.315 1.302 2.295 1.00 15.44 C ATOM 339 CD PRO A 31 3.935 0.708 2.353 1.00 60.10 C ATOM 0 HA PRO A 31 3.836 2.769 4.876 1.00 10.23 H new ATOM 0 HB2 PRO A 31 6.177 2.928 3.390 1.00 43.14 H new ATOM 0 HB3 PRO A 31 5.829 1.513 4.363 1.00 43.14 H new ATOM 0 HG2 PRO A 31 5.437 1.919 1.405 1.00 15.44 H new ATOM 0 HG3 PRO A 31 6.074 0.521 2.249 1.00 15.44 H new ATOM 0 HD2 PRO A 31 3.502 0.601 1.359 1.00 60.10 H new ATOM 0 HD3 PRO A 31 3.943 -0.284 2.806 1.00 60.10 H new ATOM 347 N THR A 32 2.772 4.693 3.533 1.00 23.24 N ATOM 348 CA THR A 32 2.493 6.032 3.032 1.00 4.14 C ATOM 349 C THR A 32 3.373 7.070 3.721 1.00 13.22 C ATOM 350 O THR A 32 3.434 8.224 3.297 1.00 44.42 O ATOM 351 CB THR A 32 1.015 6.413 3.237 1.00 74.40 C ATOM 352 OG1 THR A 32 0.734 7.656 2.586 1.00 14.21 O ATOM 353 CG2 THR A 32 0.684 6.524 4.718 1.00 55.11 C ATOM 0 H THR A 32 2.040 4.305 4.129 1.00 23.24 H new ATOM 0 HA THR A 32 2.713 6.022 1.964 1.00 4.14 H new ATOM 0 HB THR A 32 0.397 5.628 2.801 1.00 74.40 H new ATOM 0 HG1 THR A 32 1.547 8.203 2.561 1.00 14.21 H new ATOM 0 HG21 THR A 32 -0.365 6.794 4.837 1.00 55.11 H new ATOM 0 HG22 THR A 32 0.870 5.567 5.205 1.00 55.11 H new ATOM 0 HG23 THR A 32 1.310 7.291 5.174 1.00 55.11 H new ATOM 361 N SER A 33 4.052 6.652 4.784 1.00 55.33 N ATOM 362 CA SER A 33 4.927 7.546 5.532 1.00 11.33 C ATOM 363 C SER A 33 6.210 7.828 4.755 1.00 11.15 C ATOM 364 O SER A 33 7.271 7.287 5.067 1.00 32.43 O ATOM 365 CB SER A 33 5.265 6.941 6.896 1.00 62.55 C ATOM 366 OG SER A 33 4.105 6.430 7.529 1.00 72.43 O ATOM 0 H SER A 33 4.013 5.699 5.147 1.00 55.33 H new ATOM 0 HA SER A 33 4.400 8.488 5.682 1.00 11.33 H new ATOM 0 HB2 SER A 33 5.997 6.143 6.772 1.00 62.55 H new ATOM 0 HB3 SER A 33 5.725 7.699 7.530 1.00 62.55 H new ATOM 0 HG SER A 33 4.348 6.047 8.398 1.00 72.43 H new ATOM 372 N THR A 34 6.104 8.681 3.741 1.00 50.15 N ATOM 373 CA THR A 34 7.253 9.035 2.918 1.00 42.13 C ATOM 374 C THR A 34 7.584 10.518 3.044 1.00 4.20 C ATOM 375 O THR A 34 8.714 10.936 2.787 1.00 21.35 O ATOM 376 CB THR A 34 7.007 8.701 1.435 1.00 14.24 C ATOM 377 OG1 THR A 34 6.720 7.305 1.288 1.00 51.55 O ATOM 378 CG2 THR A 34 8.217 9.067 0.589 1.00 11.22 C ATOM 0 H THR A 34 5.234 9.139 3.470 1.00 50.15 H new ATOM 0 HA THR A 34 8.094 8.445 3.281 1.00 42.13 H new ATOM 0 HB THR A 34 6.154 9.285 1.091 1.00 14.24 H new ATOM 0 HG1 THR A 34 6.563 7.101 0.342 1.00 51.55 H new ATOM 0 HG21 THR A 34 8.019 8.822 -0.454 1.00 11.22 H new ATOM 0 HG22 THR A 34 8.415 10.135 0.680 1.00 11.22 H new ATOM 0 HG23 THR A 34 9.086 8.507 0.935 1.00 11.22 H new ATOM 386 N SER A 35 6.594 11.309 3.443 1.00 35.24 N ATOM 387 CA SER A 35 6.779 12.747 3.600 1.00 44.11 C ATOM 388 C SER A 35 7.989 13.044 4.481 1.00 12.43 C ATOM 389 O SER A 35 8.448 12.187 5.236 1.00 21.21 O ATOM 390 CB SER A 35 5.526 13.381 4.206 1.00 33.32 C ATOM 391 OG SER A 35 5.237 14.626 3.592 1.00 21.21 O ATOM 0 H SER A 35 5.655 10.978 3.664 1.00 35.24 H new ATOM 0 HA SER A 35 6.953 13.176 2.613 1.00 44.11 H new ATOM 0 HB2 SER A 35 4.678 12.707 4.085 1.00 33.32 H new ATOM 0 HB3 SER A 35 5.669 13.524 5.277 1.00 33.32 H new ATOM 0 HG SER A 35 4.431 15.010 3.995 1.00 21.21 H new ATOM 397 N HIS A 36 8.501 14.267 4.378 1.00 15.54 N ATOM 398 CA HIS A 36 9.657 14.680 5.165 1.00 41.25 C ATOM 399 C HIS A 36 10.025 16.131 4.870 1.00 53.43 C ATOM 400 O HIS A 36 9.891 17.003 5.729 1.00 11.54 O ATOM 401 CB HIS A 36 10.851 13.770 4.874 1.00 74.42 C ATOM 402 CG HIS A 36 11.395 13.088 6.090 1.00 64.34 C ATOM 403 ND1 HIS A 36 11.243 11.738 6.328 1.00 15.42 N ATOM 404 CD2 HIS A 36 12.097 13.577 7.140 1.00 21.22 C ATOM 405 CE1 HIS A 36 11.825 11.427 7.472 1.00 61.33 C ATOM 406 NE2 HIS A 36 12.351 12.524 7.985 1.00 41.13 N ATOM 0 H HIS A 36 8.133 14.988 3.758 1.00 15.54 H new ATOM 0 HA HIS A 36 9.395 14.597 6.220 1.00 41.25 H new ATOM 0 HB2 HIS A 36 10.553 13.015 4.147 1.00 74.42 H new ATOM 0 HB3 HIS A 36 11.643 14.360 4.414 1.00 74.42 H new ATOM 0 HD2 HIS A 36 12.400 14.603 7.286 1.00 21.22 H new ATOM 0 HE1 HIS A 36 11.864 10.442 7.913 1.00 61.33 H new ATOM 0 HE2 HIS A 36 12.863 12.580 8.866 1.00 41.13 H new ATOM 414 N LEU A 37 10.490 16.383 3.651 1.00 71.50 N ATOM 415 CA LEU A 37 10.878 17.729 3.242 1.00 64.42 C ATOM 416 C LEU A 37 9.657 18.548 2.839 1.00 30.12 C ATOM 417 O LEU A 37 9.513 18.941 1.681 1.00 63.13 O ATOM 418 CB LEU A 37 11.869 17.663 2.079 1.00 42.10 C ATOM 419 CG LEU A 37 13.178 16.920 2.354 1.00 34.23 C ATOM 420 CD1 LEU A 37 13.032 15.444 2.019 1.00 65.15 C ATOM 421 CD2 LEU A 37 14.318 17.538 1.559 1.00 44.50 C ATOM 0 H LEU A 37 10.608 15.673 2.928 1.00 71.50 H new ATOM 0 HA LEU A 37 11.356 18.218 4.091 1.00 64.42 H new ATOM 0 HB2 LEU A 37 11.374 17.186 1.233 1.00 42.10 H new ATOM 0 HB3 LEU A 37 12.110 18.682 1.775 1.00 42.10 H new ATOM 0 HG LEU A 37 13.410 17.011 3.415 1.00 34.23 H new ATOM 0 HD11 LEU A 37 13.972 14.930 2.220 1.00 65.15 H new ATOM 0 HD12 LEU A 37 12.242 15.008 2.631 1.00 65.15 H new ATOM 0 HD13 LEU A 37 12.777 15.334 0.965 1.00 65.15 H new ATOM 0 HD21 LEU A 37 15.241 16.997 1.767 1.00 44.50 H new ATOM 0 HD22 LEU A 37 14.094 17.477 0.494 1.00 44.50 H new ATOM 0 HD23 LEU A 37 14.437 18.583 1.846 1.00 44.50 H new ATOM 433 N LYS A 38 8.779 18.806 3.803 1.00 30.53 N ATOM 434 CA LYS A 38 7.571 19.582 3.551 1.00 2.22 C ATOM 435 C LYS A 38 7.909 20.914 2.888 1.00 20.42 C ATOM 436 O LYS A 38 9.000 21.451 3.074 1.00 42.14 O ATOM 437 CB LYS A 38 6.816 19.829 4.860 1.00 55.22 C ATOM 438 CG LYS A 38 5.982 18.644 5.312 1.00 5.13 C ATOM 439 CD LYS A 38 6.844 17.566 5.948 1.00 24.01 C ATOM 440 CE LYS A 38 6.169 16.961 7.170 1.00 22.31 C ATOM 441 NZ LYS A 38 6.488 15.515 7.320 1.00 65.45 N ATOM 0 H LYS A 38 8.882 18.488 4.767 1.00 30.53 H new ATOM 0 HA LYS A 38 6.936 19.010 2.875 1.00 2.22 H new ATOM 0 HB2 LYS A 38 7.533 20.078 5.642 1.00 55.22 H new ATOM 0 HB3 LYS A 38 6.166 20.695 4.737 1.00 55.22 H new ATOM 0 HG2 LYS A 38 5.230 18.979 6.027 1.00 5.13 H new ATOM 0 HG3 LYS A 38 5.447 18.227 4.458 1.00 5.13 H new ATOM 0 HD2 LYS A 38 7.046 16.783 5.218 1.00 24.01 H new ATOM 0 HD3 LYS A 38 7.806 17.990 6.235 1.00 24.01 H new ATOM 0 HE2 LYS A 38 6.487 17.498 8.064 1.00 22.31 H new ATOM 0 HE3 LYS A 38 5.089 17.088 7.089 1.00 22.31 H new ATOM 0 HZ1 LYS A 38 5.643 14.949 7.103 1.00 65.45 H new ATOM 0 HZ2 LYS A 38 7.254 15.259 6.665 1.00 65.45 H new ATOM 0 HZ3 LYS A 38 6.790 15.326 8.297 1.00 65.45 H new ATOM 455 N GLU A 39 6.965 21.441 2.115 1.00 15.24 N ATOM 456 CA GLU A 39 7.164 22.710 1.425 1.00 11.23 C ATOM 457 C GLU A 39 7.335 23.851 2.424 1.00 42.44 C ATOM 458 O GLU A 39 7.475 23.623 3.625 1.00 14.34 O ATOM 459 CB GLU A 39 5.983 23.004 0.498 1.00 72.31 C ATOM 460 CG GLU A 39 6.397 23.442 -0.897 1.00 23.32 C ATOM 461 CD GLU A 39 7.313 22.441 -1.575 1.00 21.54 C ATOM 462 OE1 GLU A 39 7.142 21.226 -1.341 1.00 10.42 O ATOM 463 OE2 GLU A 39 8.200 22.873 -2.340 1.00 41.14 O ATOM 0 H GLU A 39 6.056 21.009 1.951 1.00 15.24 H new ATOM 0 HA GLU A 39 8.073 22.631 0.829 1.00 11.23 H new ATOM 0 HB2 GLU A 39 5.363 22.111 0.420 1.00 72.31 H new ATOM 0 HB3 GLU A 39 5.366 23.783 0.946 1.00 72.31 H new ATOM 0 HG2 GLU A 39 5.506 23.585 -1.508 1.00 23.32 H new ATOM 0 HG3 GLU A 39 6.901 24.407 -0.836 1.00 23.32 H new ATOM 470 N ALA A 40 7.324 25.080 1.917 1.00 4.14 N ATOM 471 CA ALA A 40 7.476 26.257 2.764 1.00 21.42 C ATOM 472 C ALA A 40 7.133 27.531 1.999 1.00 5.24 C ATOM 473 O ALA A 40 6.696 27.478 0.851 1.00 34.21 O ATOM 474 CB ALA A 40 8.894 26.333 3.312 1.00 74.33 C ATOM 0 H ALA A 40 7.211 25.286 0.924 1.00 4.14 H new ATOM 0 HA ALA A 40 6.780 26.167 3.598 1.00 21.42 H new ATOM 0 HB1 ALA A 40 8.993 27.216 3.943 1.00 74.33 H new ATOM 0 HB2 ALA A 40 9.105 25.441 3.902 1.00 74.33 H new ATOM 0 HB3 ALA A 40 9.601 26.396 2.485 1.00 74.33 H new ATOM 480 N GLU A 41 7.335 28.676 2.646 1.00 64.42 N ATOM 481 CA GLU A 41 7.045 29.963 2.026 1.00 42.32 C ATOM 482 C GLU A 41 7.964 31.050 2.576 1.00 54.32 C ATOM 483 O GLU A 41 8.473 30.942 3.691 1.00 54.03 O ATOM 484 CB GLU A 41 5.583 30.350 2.259 1.00 64.33 C ATOM 485 CG GLU A 41 4.873 30.834 1.006 1.00 44.44 C ATOM 486 CD GLU A 41 3.831 29.851 0.509 1.00 10.05 C ATOM 487 OE1 GLU A 41 3.162 29.219 1.353 1.00 13.11 O ATOM 488 OE2 GLU A 41 3.684 29.716 -0.723 1.00 35.42 O ATOM 0 H GLU A 41 7.698 28.737 3.597 1.00 64.42 H new ATOM 0 HA GLU A 41 7.221 29.869 0.954 1.00 42.32 H new ATOM 0 HB2 GLU A 41 5.048 29.489 2.660 1.00 64.33 H new ATOM 0 HB3 GLU A 41 5.540 31.133 3.016 1.00 64.33 H new ATOM 0 HG2 GLU A 41 4.395 31.792 1.211 1.00 44.44 H new ATOM 0 HG3 GLU A 41 5.608 31.007 0.220 1.00 44.44 H new ATOM 495 N GLU A 42 8.171 32.098 1.783 1.00 65.10 N ATOM 496 CA GLU A 42 9.030 33.204 2.189 1.00 5.22 C ATOM 497 C GLU A 42 8.210 34.466 2.440 1.00 72.21 C ATOM 498 O GLU A 42 7.929 35.231 1.517 1.00 51.43 O ATOM 499 CB GLU A 42 10.091 33.475 1.120 1.00 12.54 C ATOM 500 CG GLU A 42 11.501 33.118 1.558 1.00 41.24 C ATOM 501 CD GLU A 42 12.559 33.934 0.840 1.00 74.41 C ATOM 502 OE1 GLU A 42 12.892 35.034 1.327 1.00 10.02 O ATOM 503 OE2 GLU A 42 13.053 33.471 -0.209 1.00 55.45 O ATOM 0 H GLU A 42 7.756 32.204 0.857 1.00 65.10 H new ATOM 0 HA GLU A 42 9.526 32.923 3.118 1.00 5.22 H new ATOM 0 HB2 GLU A 42 9.844 32.908 0.223 1.00 12.54 H new ATOM 0 HB3 GLU A 42 10.060 34.530 0.849 1.00 12.54 H new ATOM 0 HG2 GLU A 42 11.594 33.274 2.633 1.00 41.24 H new ATOM 0 HG3 GLU A 42 11.677 32.058 1.374 1.00 41.24 H new ATOM 510 N LYS A 43 7.827 34.678 3.694 1.00 71.43 N ATOM 511 CA LYS A 43 7.040 35.846 4.068 1.00 34.03 C ATOM 512 C LYS A 43 5.804 35.975 3.183 1.00 30.42 C ATOM 513 O LYS A 43 5.206 34.958 2.833 1.00 42.25 O ATOM 514 CB LYS A 43 7.889 37.114 3.963 1.00 12.14 C ATOM 515 CG LYS A 43 8.173 37.768 5.304 1.00 12.34 C ATOM 516 CD LYS A 43 9.617 38.230 5.404 1.00 41.13 C ATOM 517 CE LYS A 43 9.751 39.712 5.091 1.00 13.51 C ATOM 518 NZ LYS A 43 11.161 40.179 5.207 1.00 22.31 N ATOM 0 H LYS A 43 8.050 34.055 4.470 1.00 71.43 H new ATOM 0 HA LYS A 43 6.715 35.718 5.101 1.00 34.03 H new ATOM 0 HB2 LYS A 43 8.835 36.869 3.480 1.00 12.14 H new ATOM 0 HB3 LYS A 43 7.379 37.831 3.319 1.00 12.14 H new ATOM 0 HG2 LYS A 43 7.507 38.620 5.443 1.00 12.34 H new ATOM 0 HG3 LYS A 43 7.959 37.062 6.107 1.00 12.34 H new ATOM 0 HD2 LYS A 43 9.994 38.033 6.408 1.00 41.13 H new ATOM 0 HD3 LYS A 43 10.233 37.654 4.713 1.00 41.13 H new ATOM 0 HE2 LYS A 43 9.387 39.904 4.082 1.00 13.51 H new ATOM 0 HE3 LYS A 43 9.122 40.285 5.772 1.00 13.51 H new ATOM 0 HZ1 LYS A 43 11.210 41.194 4.986 1.00 22.31 H new ATOM 0 HZ2 LYS A 43 11.501 40.019 6.177 1.00 22.31 H new ATOM 0 HZ3 LYS A 43 11.758 39.650 4.539 1.00 22.31 H new TER 532 LYS A 43