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 -146:sc= -0.218 (180deg=-1.11) USER MOD Single : A 9 SER OG : rot 12:sc= 1.25 USER MOD Single : A 12 SER OG : rot 63:sc= 0.609 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -91:sc= 1.22 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00237 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 112:sc= 1.22 USER MOD Single : A 34 THR OG1 : rot 150:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.58) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -149:sc= -0.112 (180deg=-0.731) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 4.014 -13.044 -4.772 1.00 43.41 N ATOM 2 CA GLY A 5 4.778 -12.712 -5.960 1.00 31.01 C ATOM 3 C GLY A 5 5.607 -11.456 -5.785 1.00 3.32 C ATOM 4 O GLY A 5 6.561 -11.225 -6.528 1.00 41.44 O ATOM 0 HA2 GLY A 5 5.435 -13.545 -6.210 1.00 31.01 H new ATOM 0 HA3 GLY A 5 4.097 -12.580 -6.801 1.00 31.01 H new ATOM 8 N ALA A 6 5.241 -10.639 -4.802 1.00 71.01 N ATOM 9 CA ALA A 6 5.958 -9.400 -4.533 1.00 42.52 C ATOM 10 C ALA A 6 7.273 -9.672 -3.811 1.00 3.50 C ATOM 11 O ALA A 6 7.488 -10.762 -3.282 1.00 44.32 O ATOM 12 CB ALA A 6 5.089 -8.456 -3.713 1.00 53.31 C ATOM 0 H ALA A 6 4.452 -10.814 -4.179 1.00 71.01 H new ATOM 0 HA ALA A 6 6.189 -8.928 -5.488 1.00 42.52 H new ATOM 0 HB1 ALA A 6 5.637 -7.534 -3.519 1.00 53.31 H new ATOM 0 HB2 ALA A 6 4.178 -8.227 -4.266 1.00 53.31 H new ATOM 0 HB3 ALA A 6 4.830 -8.930 -2.766 1.00 53.31 H new ATOM 18 N MET A 7 8.151 -8.674 -3.794 1.00 50.30 N ATOM 19 CA MET A 7 9.446 -8.806 -3.136 1.00 24.52 C ATOM 20 C MET A 7 9.705 -7.627 -2.205 1.00 12.43 C ATOM 21 O MET A 7 8.993 -6.625 -2.242 1.00 2.02 O ATOM 22 CB MET A 7 10.562 -8.905 -4.177 1.00 25.44 C ATOM 23 CG MET A 7 10.355 -10.022 -5.187 1.00 22.22 C ATOM 24 SD MET A 7 11.430 -11.438 -4.888 1.00 0.42 S ATOM 25 CE MET A 7 13.044 -10.680 -5.064 1.00 32.31 C ATOM 0 H MET A 7 7.989 -7.765 -4.228 1.00 50.30 H new ATOM 0 HA MET A 7 9.433 -9.719 -2.541 1.00 24.52 H new ATOM 0 HB2 MET A 7 10.637 -7.956 -4.708 1.00 25.44 H new ATOM 0 HB3 MET A 7 11.512 -9.061 -3.665 1.00 25.44 H new ATOM 0 HG2 MET A 7 9.315 -10.347 -5.155 1.00 22.22 H new ATOM 0 HG3 MET A 7 10.538 -9.638 -6.190 1.00 22.22 H new ATOM 0 HE1 MET A 7 13.738 -11.398 -5.501 1.00 32.31 H new ATOM 0 HE2 MET A 7 12.967 -9.808 -5.713 1.00 32.31 H new ATOM 0 HE3 MET A 7 13.410 -10.372 -4.085 1.00 32.31 H new ATOM 35 N GLY A 8 10.732 -7.754 -1.369 1.00 42.41 N ATOM 36 CA GLY A 8 11.067 -6.691 -0.439 1.00 21.10 C ATOM 37 C GLY A 8 11.831 -5.561 -1.101 1.00 70.21 C ATOM 38 O GLY A 8 12.527 -5.772 -2.094 1.00 10.43 O ATOM 0 H GLY A 8 11.337 -8.573 -1.319 1.00 42.41 H new ATOM 0 HA2 GLY A 8 10.152 -6.297 0.003 1.00 21.10 H new ATOM 0 HA3 GLY A 8 11.664 -7.100 0.376 1.00 21.10 H new ATOM 42 N SER A 9 11.700 -4.358 -0.552 1.00 54.43 N ATOM 43 CA SER A 9 12.379 -3.189 -1.098 1.00 14.30 C ATOM 44 C SER A 9 12.370 -2.038 -0.097 1.00 63.30 C ATOM 45 O SER A 9 11.799 -2.148 0.988 1.00 72.42 O ATOM 46 CB SER A 9 11.714 -2.751 -2.404 1.00 40.13 C ATOM 47 OG SER A 9 12.133 -3.562 -3.487 1.00 65.10 O ATOM 0 H SER A 9 11.129 -4.167 0.271 1.00 54.43 H new ATOM 0 HA SER A 9 13.415 -3.462 -1.300 1.00 14.30 H new ATOM 0 HB2 SER A 9 10.630 -2.808 -2.301 1.00 40.13 H new ATOM 0 HB3 SER A 9 11.960 -1.709 -2.609 1.00 40.13 H new ATOM 0 HG SER A 9 12.616 -4.342 -3.144 1.00 65.10 H new ATOM 53 N VAL A 10 13.006 -0.933 -0.470 1.00 11.03 N ATOM 54 CA VAL A 10 13.072 0.241 0.393 1.00 21.42 C ATOM 55 C VAL A 10 11.842 1.124 0.213 1.00 22.33 C ATOM 56 O VAL A 10 11.013 0.880 -0.664 1.00 40.12 O ATOM 57 CB VAL A 10 14.335 1.076 0.110 1.00 54.11 C ATOM 58 CG1 VAL A 10 15.584 0.222 0.265 1.00 35.12 C ATOM 59 CG2 VAL A 10 14.268 1.691 -1.279 1.00 71.20 C ATOM 0 H VAL A 10 13.484 -0.825 -1.365 1.00 11.03 H new ATOM 0 HA VAL A 10 13.109 -0.123 1.420 1.00 21.42 H new ATOM 0 HB VAL A 10 14.385 1.886 0.838 1.00 54.11 H new ATOM 0 HG11 VAL A 10 16.467 0.828 0.061 1.00 35.12 H new ATOM 0 HG12 VAL A 10 15.636 -0.165 1.283 1.00 35.12 H new ATOM 0 HG13 VAL A 10 15.545 -0.610 -0.438 1.00 35.12 H new ATOM 0 HG21 VAL A 10 15.169 2.277 -1.461 1.00 71.20 H new ATOM 0 HG22 VAL A 10 14.194 0.899 -2.024 1.00 71.20 H new ATOM 0 HG23 VAL A 10 13.394 2.338 -1.349 1.00 71.20 H new ATOM 69 N ASP A 11 11.730 2.150 1.048 1.00 41.44 N ATOM 70 CA ASP A 11 10.602 3.071 0.982 1.00 5.42 C ATOM 71 C ASP A 11 10.987 4.349 0.242 1.00 44.11 C ATOM 72 O ASP A 11 11.665 5.217 0.792 1.00 11.13 O ATOM 73 CB ASP A 11 10.109 3.412 2.389 1.00 35.41 C ATOM 74 CG ASP A 11 8.613 3.653 2.436 1.00 15.40 C ATOM 75 OD1 ASP A 11 8.003 3.809 1.359 1.00 33.33 O ATOM 76 OD2 ASP A 11 8.053 3.685 3.552 1.00 62.22 O ATOM 0 H ASP A 11 12.407 2.365 1.780 1.00 41.44 H new ATOM 0 HA ASP A 11 9.798 2.581 0.433 1.00 5.42 H new ATOM 0 HB2 ASP A 11 10.364 2.598 3.067 1.00 35.41 H new ATOM 0 HB3 ASP A 11 10.629 4.301 2.747 1.00 35.41 H new ATOM 81 N SER A 12 10.550 4.457 -1.009 1.00 14.24 N ATOM 82 CA SER A 12 10.853 5.626 -1.826 1.00 13.23 C ATOM 83 C SER A 12 9.574 6.259 -2.364 1.00 1.01 C ATOM 84 O SER A 12 9.594 6.970 -3.369 1.00 35.31 O ATOM 85 CB SER A 12 11.771 5.239 -2.987 1.00 70.24 C ATOM 86 OG SER A 12 11.022 4.956 -4.157 1.00 12.42 O ATOM 0 H SER A 12 9.985 3.749 -1.478 1.00 14.24 H new ATOM 0 HA SER A 12 11.362 6.356 -1.197 1.00 13.23 H new ATOM 0 HB2 SER A 12 12.471 6.050 -3.187 1.00 70.24 H new ATOM 0 HB3 SER A 12 12.364 4.367 -2.711 1.00 70.24 H new ATOM 0 HG SER A 12 10.548 5.764 -4.445 1.00 12.42 H new ATOM 92 N ALA A 13 8.461 5.996 -1.687 1.00 43.55 N ATOM 93 CA ALA A 13 7.172 6.541 -2.093 1.00 25.51 C ATOM 94 C ALA A 13 7.065 8.020 -1.740 1.00 25.34 C ATOM 95 O ALA A 13 6.940 8.382 -0.571 1.00 52.21 O ATOM 96 CB ALA A 13 6.039 5.759 -1.445 1.00 22.22 C ATOM 0 H ALA A 13 8.427 5.408 -0.854 1.00 43.55 H new ATOM 0 HA ALA A 13 7.091 6.446 -3.176 1.00 25.51 H new ATOM 0 HB1 ALA A 13 5.082 6.178 -1.758 1.00 22.22 H new ATOM 0 HB2 ALA A 13 6.096 4.715 -1.752 1.00 22.22 H new ATOM 0 HB3 ALA A 13 6.126 5.824 -0.360 1.00 22.22 H new ATOM 102 N ASP A 14 7.116 8.872 -2.759 1.00 64.51 N ATOM 103 CA ASP A 14 7.024 10.313 -2.556 1.00 45.05 C ATOM 104 C ASP A 14 5.692 10.688 -1.915 1.00 44.11 C ATOM 105 O ASP A 14 5.649 11.158 -0.778 1.00 33.25 O ATOM 106 CB ASP A 14 7.188 11.049 -3.887 1.00 72.10 C ATOM 107 CG ASP A 14 8.404 11.955 -3.903 1.00 74.43 C ATOM 108 OD1 ASP A 14 8.284 13.115 -3.460 1.00 21.40 O ATOM 109 OD2 ASP A 14 9.475 11.502 -4.358 1.00 71.24 O ATOM 0 H ASP A 14 7.221 8.589 -3.733 1.00 64.51 H new ATOM 0 HA ASP A 14 7.828 10.612 -1.883 1.00 45.05 H new ATOM 0 HB2 ASP A 14 7.271 10.321 -4.694 1.00 72.10 H new ATOM 0 HB3 ASP A 14 6.295 11.642 -4.083 1.00 72.10 H new ATOM 114 N ALA A 15 4.606 10.478 -2.651 1.00 21.44 N ATOM 115 CA ALA A 15 3.273 10.792 -2.154 1.00 64.33 C ATOM 116 C ALA A 15 2.200 10.371 -3.153 1.00 2.42 C ATOM 117 O ALA A 15 1.186 11.049 -3.313 1.00 42.10 O ATOM 118 CB ALA A 15 3.159 12.280 -1.851 1.00 32.12 C ATOM 0 H ALA A 15 4.624 10.091 -3.595 1.00 21.44 H new ATOM 0 HA ALA A 15 3.115 10.231 -1.233 1.00 64.33 H new ATOM 0 HB1 ALA A 15 2.158 12.500 -1.481 1.00 32.12 H new ATOM 0 HB2 ALA A 15 3.894 12.555 -1.095 1.00 32.12 H new ATOM 0 HB3 ALA A 15 3.343 12.852 -2.761 1.00 32.12 H new ATOM 124 N GLY A 16 2.432 9.246 -3.823 1.00 45.05 N ATOM 125 CA GLY A 16 1.476 8.754 -4.798 1.00 21.35 C ATOM 126 C GLY A 16 0.180 8.294 -4.161 1.00 20.11 C ATOM 127 O GLY A 16 0.151 7.289 -3.454 1.00 15.42 O ATOM 0 H GLY A 16 3.264 8.667 -3.708 1.00 45.05 H new ATOM 0 HA2 GLY A 16 1.262 9.541 -5.521 1.00 21.35 H new ATOM 0 HA3 GLY A 16 1.919 7.926 -5.350 1.00 21.35 H new ATOM 131 N GLY A 17 -0.896 9.035 -4.410 1.00 32.35 N ATOM 132 CA GLY A 17 -2.186 8.682 -3.846 1.00 11.43 C ATOM 133 C GLY A 17 -2.960 7.721 -4.726 1.00 41.31 C ATOM 134 O GLY A 17 -4.145 7.926 -4.988 1.00 23.03 O ATOM 0 H GLY A 17 -0.897 9.873 -4.992 1.00 32.35 H new ATOM 0 HA2 GLY A 17 -2.039 8.232 -2.864 1.00 11.43 H new ATOM 0 HA3 GLY A 17 -2.774 9.588 -3.697 1.00 11.43 H new ATOM 138 N GLY A 18 -2.290 6.669 -5.185 1.00 33.55 N ATOM 139 CA GLY A 18 -2.938 5.690 -6.038 1.00 53.23 C ATOM 140 C GLY A 18 -3.481 6.301 -7.314 1.00 73.23 C ATOM 141 O GLY A 18 -3.468 7.520 -7.480 1.00 0.14 O ATOM 0 H GLY A 18 -1.309 6.477 -4.981 1.00 33.55 H new ATOM 0 HA2 GLY A 18 -2.226 4.904 -6.290 1.00 53.23 H new ATOM 0 HA3 GLY A 18 -3.753 5.218 -5.490 1.00 53.23 H new ATOM 145 N SER A 19 -3.958 5.452 -8.218 1.00 44.24 N ATOM 146 CA SER A 19 -4.503 5.916 -9.489 1.00 73.43 C ATOM 147 C SER A 19 -5.548 4.940 -10.021 1.00 55.01 C ATOM 148 O SER A 19 -6.521 5.340 -10.657 1.00 43.13 O ATOM 149 CB SER A 19 -3.383 6.090 -10.515 1.00 12.12 C ATOM 150 OG SER A 19 -3.359 5.010 -11.433 1.00 55.52 O ATOM 0 H SER A 19 -3.978 4.440 -8.094 1.00 44.24 H new ATOM 0 HA SER A 19 -4.984 6.879 -9.320 1.00 73.43 H new ATOM 0 HB2 SER A 19 -3.522 7.027 -11.055 1.00 12.12 H new ATOM 0 HB3 SER A 19 -2.423 6.157 -10.002 1.00 12.12 H new ATOM 0 HG SER A 19 -2.635 5.146 -12.079 1.00 55.52 H new ATOM 156 N GLY A 20 -5.338 3.654 -9.753 1.00 72.31 N ATOM 157 CA GLY A 20 -6.269 2.638 -10.211 1.00 5.21 C ATOM 158 C GLY A 20 -6.320 1.439 -9.286 1.00 22.22 C ATOM 159 O GLY A 20 -7.163 1.370 -8.393 1.00 43.13 O ATOM 0 H GLY A 20 -4.540 3.298 -9.227 1.00 72.31 H new ATOM 0 HA2 GLY A 20 -7.265 3.073 -10.292 1.00 5.21 H new ATOM 0 HA3 GLY A 20 -5.982 2.310 -11.210 1.00 5.21 H new ATOM 163 N TRP A 21 -5.416 0.490 -9.502 1.00 35.11 N ATOM 164 CA TRP A 21 -5.362 -0.715 -8.681 1.00 70.20 C ATOM 165 C TRP A 21 -5.139 -0.364 -7.214 1.00 63.54 C ATOM 166 O TRP A 21 -5.520 -1.121 -6.320 1.00 71.55 O ATOM 167 CB TRP A 21 -4.249 -1.641 -9.172 1.00 15.34 C ATOM 168 CG TRP A 21 -3.104 -0.911 -9.805 1.00 20.23 C ATOM 169 CD1 TRP A 21 -2.498 0.222 -9.343 1.00 0.34 C ATOM 170 CD2 TRP A 21 -2.429 -1.262 -11.018 1.00 24.43 C ATOM 171 NE1 TRP A 21 -1.487 0.596 -10.195 1.00 1.24 N ATOM 172 CE2 TRP A 21 -1.424 -0.299 -11.231 1.00 3.42 C ATOM 173 CE3 TRP A 21 -2.575 -2.299 -11.945 1.00 3.41 C ATOM 174 CZ2 TRP A 21 -0.572 -0.341 -12.331 1.00 64.45 C ATOM 175 CZ3 TRP A 21 -1.729 -2.339 -13.037 1.00 72.11 C ATOM 176 CH2 TRP A 21 -0.738 -1.366 -13.222 1.00 71.11 C ATOM 0 H TRP A 21 -4.711 0.531 -10.238 1.00 35.11 H new ATOM 0 HA TRP A 21 -6.319 -1.230 -8.770 1.00 70.20 H new ATOM 0 HB2 TRP A 21 -3.877 -2.227 -8.332 1.00 15.34 H new ATOM 0 HB3 TRP A 21 -4.664 -2.346 -9.893 1.00 15.34 H new ATOM 0 HD1 TRP A 21 -2.773 0.747 -8.440 1.00 0.34 H new ATOM 0 HE1 TRP A 21 -0.881 1.408 -10.076 1.00 1.24 H new ATOM 0 HE3 TRP A 21 -3.335 -3.055 -11.810 1.00 3.41 H new ATOM 0 HZ2 TRP A 21 0.192 0.408 -12.476 1.00 64.45 H new ATOM 0 HZ3 TRP A 21 -1.834 -3.134 -13.760 1.00 72.11 H new ATOM 0 HH2 TRP A 21 -0.092 -1.426 -14.085 1.00 71.11 H new ATOM 187 N LEU A 22 -4.521 0.786 -6.972 1.00 11.00 N ATOM 188 CA LEU A 22 -4.247 1.237 -5.611 1.00 63.41 C ATOM 189 C LEU A 22 -5.541 1.594 -4.887 1.00 13.01 C ATOM 190 O LEU A 22 -5.519 2.071 -3.751 1.00 34.32 O ATOM 191 CB LEU A 22 -3.310 2.445 -5.632 1.00 64.22 C ATOM 192 CG LEU A 22 -1.870 2.171 -6.066 1.00 31.43 C ATOM 193 CD1 LEU A 22 -1.563 0.683 -5.987 1.00 65.24 C ATOM 194 CD2 LEU A 22 -1.628 2.693 -7.475 1.00 71.41 C ATOM 0 H LEU A 22 -4.200 1.424 -7.700 1.00 11.00 H new ATOM 0 HA LEU A 22 -3.764 0.421 -5.073 1.00 63.41 H new ATOM 0 HB2 LEU A 22 -3.733 3.196 -6.300 1.00 64.22 H new ATOM 0 HB3 LEU A 22 -3.290 2.882 -4.633 1.00 64.22 H new ATOM 0 HG LEU A 22 -1.200 2.697 -5.386 1.00 31.43 H new ATOM 0 HD11 LEU A 22 -0.534 0.507 -6.300 1.00 65.24 H new ATOM 0 HD12 LEU A 22 -1.695 0.338 -4.961 1.00 65.24 H new ATOM 0 HD13 LEU A 22 -2.240 0.136 -6.643 1.00 65.24 H new ATOM 0 HD21 LEU A 22 -0.598 2.489 -7.767 1.00 71.41 H new ATOM 0 HD22 LEU A 22 -2.307 2.196 -8.169 1.00 71.41 H new ATOM 0 HD23 LEU A 22 -1.806 3.768 -7.500 1.00 71.41 H new ATOM 206 N THR A 23 -6.669 1.359 -5.549 1.00 71.32 N ATOM 207 CA THR A 23 -7.973 1.654 -4.968 1.00 45.20 C ATOM 208 C THR A 23 -8.381 0.585 -3.962 1.00 72.12 C ATOM 209 O THR A 23 -9.547 0.491 -3.579 1.00 10.33 O ATOM 210 CB THR A 23 -9.061 1.764 -6.053 1.00 11.33 C ATOM 211 OG1 THR A 23 -9.064 0.584 -6.864 1.00 33.23 O ATOM 212 CG2 THR A 23 -8.830 2.987 -6.929 1.00 15.41 C ATOM 0 H THR A 23 -6.706 0.965 -6.489 1.00 71.32 H new ATOM 0 HA THR A 23 -7.881 2.613 -4.458 1.00 45.20 H new ATOM 0 HB THR A 23 -10.027 1.868 -5.559 1.00 11.33 H new ATOM 0 HG1 THR A 23 -8.470 0.714 -7.633 1.00 33.23 H new ATOM 0 HG21 THR A 23 -9.611 3.044 -7.688 1.00 15.41 H new ATOM 0 HG22 THR A 23 -8.857 3.886 -6.313 1.00 15.41 H new ATOM 0 HG23 THR A 23 -7.857 2.908 -7.414 1.00 15.41 H new ATOM 220 N GLY A 24 -7.413 -0.221 -3.535 1.00 74.21 N ATOM 221 CA GLY A 24 -7.693 -1.273 -2.576 1.00 53.12 C ATOM 222 C GLY A 24 -7.391 -2.654 -3.125 1.00 51.45 C ATOM 223 O GLY A 24 -8.250 -3.536 -3.110 1.00 34.33 O ATOM 0 H GLY A 24 -6.440 -0.164 -3.836 1.00 74.21 H new ATOM 0 HA2 GLY A 24 -7.102 -1.106 -1.676 1.00 53.12 H new ATOM 0 HA3 GLY A 24 -8.742 -1.223 -2.283 1.00 53.12 H new ATOM 227 N TRP A 25 -6.170 -2.840 -3.611 1.00 15.21 N ATOM 228 CA TRP A 25 -5.757 -4.123 -4.169 1.00 33.40 C ATOM 229 C TRP A 25 -4.475 -4.618 -3.509 1.00 55.55 C ATOM 230 O TRP A 25 -3.606 -5.190 -4.168 1.00 22.15 O ATOM 231 CB TRP A 25 -5.554 -4.003 -5.681 1.00 12.23 C ATOM 232 CG TRP A 25 -4.160 -3.602 -6.062 1.00 65.15 C ATOM 233 CD1 TRP A 25 -3.477 -2.502 -5.628 1.00 13.34 C ATOM 234 CD2 TRP A 25 -3.283 -4.295 -6.957 1.00 73.03 C ATOM 235 NE1 TRP A 25 -2.227 -2.470 -6.199 1.00 71.24 N ATOM 236 CE2 TRP A 25 -2.083 -3.560 -7.017 1.00 43.32 C ATOM 237 CE3 TRP A 25 -3.394 -5.466 -7.710 1.00 73.32 C ATOM 238 CZ2 TRP A 25 -1.005 -3.957 -7.802 1.00 33.31 C ATOM 239 CZ3 TRP A 25 -2.322 -5.861 -8.490 1.00 44.31 C ATOM 240 CH2 TRP A 25 -1.141 -5.108 -8.530 1.00 74.22 C ATOM 0 H TRP A 25 -5.448 -2.119 -3.630 1.00 15.21 H new ATOM 0 HA TRP A 25 -6.547 -4.848 -3.971 1.00 33.40 H new ATOM 0 HB2 TRP A 25 -5.791 -4.958 -6.149 1.00 12.23 H new ATOM 0 HB3 TRP A 25 -6.257 -3.270 -6.078 1.00 12.23 H new ATOM 0 HD1 TRP A 25 -3.862 -1.766 -4.938 1.00 13.34 H new ATOM 0 HE1 TRP A 25 -1.521 -1.751 -6.040 1.00 71.24 H new ATOM 0 HE3 TRP A 25 -4.300 -6.053 -7.684 1.00 73.32 H new ATOM 0 HZ2 TRP A 25 -0.094 -3.378 -7.836 1.00 33.31 H new ATOM 0 HZ3 TRP A 25 -2.397 -6.764 -9.077 1.00 44.31 H new ATOM 0 HH2 TRP A 25 -0.321 -5.443 -9.148 1.00 74.22 H new ATOM 251 N LEU A 26 -4.363 -4.394 -2.204 1.00 72.24 N ATOM 252 CA LEU A 26 -3.186 -4.818 -1.453 1.00 31.31 C ATOM 253 C LEU A 26 -3.503 -4.941 0.033 1.00 44.12 C ATOM 254 O LEU A 26 -4.450 -4.340 0.542 1.00 55.34 O ATOM 255 CB LEU A 26 -2.040 -3.827 -1.663 1.00 54.42 C ATOM 256 CG LEU A 26 -2.357 -2.362 -1.363 1.00 14.15 C ATOM 257 CD1 LEU A 26 -1.126 -1.649 -0.822 1.00 65.35 C ATOM 258 CD2 LEU A 26 -2.876 -1.663 -2.610 1.00 22.24 C ATOM 0 H LEU A 26 -5.073 -3.921 -1.644 1.00 72.24 H new ATOM 0 HA LEU A 26 -2.883 -5.798 -1.822 1.00 31.31 H new ATOM 0 HB2 LEU A 26 -1.202 -4.133 -1.036 1.00 54.42 H new ATOM 0 HB3 LEU A 26 -1.707 -3.901 -2.698 1.00 54.42 H new ATOM 0 HG LEU A 26 -3.135 -2.327 -0.601 1.00 14.15 H new ATOM 0 HD11 LEU A 26 -1.371 -0.607 -0.614 1.00 65.35 H new ATOM 0 HD12 LEU A 26 -0.799 -2.135 0.097 1.00 65.35 H new ATOM 0 HD13 LEU A 26 -0.326 -1.693 -1.561 1.00 65.35 H new ATOM 0 HD21 LEU A 26 -3.097 -0.621 -2.378 1.00 22.24 H new ATOM 0 HD22 LEU A 26 -2.120 -1.708 -3.394 1.00 22.24 H new ATOM 0 HD23 LEU A 26 -3.784 -2.158 -2.953 1.00 22.24 H new ATOM 270 N PRO A 27 -2.693 -5.735 0.749 1.00 22.41 N ATOM 271 CA PRO A 27 -2.865 -5.953 2.188 1.00 30.31 C ATOM 272 C PRO A 27 -2.530 -4.710 3.006 1.00 74.43 C ATOM 273 O PRO A 27 -2.420 -3.609 2.466 1.00 71.00 O ATOM 274 CB PRO A 27 -1.876 -7.080 2.498 1.00 24.41 C ATOM 275 CG PRO A 27 -0.834 -6.970 1.438 1.00 52.12 C ATOM 276 CD PRO A 27 -1.545 -6.482 0.206 1.00 12.34 C ATOM 0 HA PRO A 27 -3.897 -6.192 2.443 1.00 30.31 H new ATOM 0 HB2 PRO A 27 -1.444 -6.965 3.492 1.00 24.41 H new ATOM 0 HB3 PRO A 27 -2.365 -8.054 2.473 1.00 24.41 H new ATOM 0 HG2 PRO A 27 -0.047 -6.276 1.735 1.00 52.12 H new ATOM 0 HG3 PRO A 27 -0.358 -7.934 1.258 1.00 52.12 H new ATOM 0 HD2 PRO A 27 -0.903 -5.846 -0.403 1.00 12.34 H new ATOM 0 HD3 PRO A 27 -1.867 -7.309 -0.427 1.00 12.34 H new ATOM 284 N THR A 28 -2.370 -4.894 4.312 1.00 14.50 N ATOM 285 CA THR A 28 -2.048 -3.788 5.206 1.00 63.31 C ATOM 286 C THR A 28 -0.780 -3.070 4.758 1.00 71.12 C ATOM 287 O THR A 28 -0.492 -1.961 5.208 1.00 23.53 O ATOM 288 CB THR A 28 -1.865 -4.272 6.657 1.00 63.03 C ATOM 289 OG1 THR A 28 -2.933 -5.155 7.017 1.00 62.13 O ATOM 290 CG2 THR A 28 -1.826 -3.094 7.619 1.00 72.43 C ATOM 0 H THR A 28 -2.458 -5.799 4.775 1.00 14.50 H new ATOM 0 HA THR A 28 -2.888 -3.095 5.166 1.00 63.31 H new ATOM 0 HB THR A 28 -0.917 -4.805 6.723 1.00 63.03 H new ATOM 0 HG1 THR A 28 -2.809 -5.460 7.940 1.00 62.13 H new ATOM 0 HG21 THR A 28 -1.696 -3.460 8.637 1.00 72.43 H new ATOM 0 HG22 THR A 28 -0.994 -2.440 7.360 1.00 72.43 H new ATOM 0 HG23 THR A 28 -2.760 -2.537 7.550 1.00 72.43 H new ATOM 298 N TRP A 29 -0.027 -3.710 3.871 1.00 3.35 N ATOM 299 CA TRP A 29 1.212 -3.131 3.361 1.00 63.00 C ATOM 300 C TRP A 29 0.933 -1.851 2.580 1.00 31.21 C ATOM 301 O TRP A 29 0.715 -1.888 1.368 1.00 50.25 O ATOM 302 CB TRP A 29 1.942 -4.138 2.472 1.00 60.11 C ATOM 303 CG TRP A 29 2.408 -5.356 3.211 1.00 5.41 C ATOM 304 CD1 TRP A 29 1.719 -6.048 4.165 1.00 11.52 C ATOM 305 CD2 TRP A 29 3.666 -6.022 3.058 1.00 50.11 C ATOM 306 NE1 TRP A 29 2.473 -7.106 4.615 1.00 4.31 N ATOM 307 CE2 TRP A 29 3.671 -7.112 3.951 1.00 25.22 C ATOM 308 CE3 TRP A 29 4.786 -5.805 2.253 1.00 12.35 C ATOM 309 CZ2 TRP A 29 4.754 -7.979 4.059 1.00 1.42 C ATOM 310 CZ3 TRP A 29 5.862 -6.667 2.362 1.00 75.13 C ATOM 311 CH2 TRP A 29 5.839 -7.744 3.259 1.00 23.04 C ATOM 0 H TRP A 29 -0.252 -4.629 3.490 1.00 3.35 H new ATOM 0 HA TRP A 29 1.846 -2.884 4.212 1.00 63.00 H new ATOM 0 HB2 TRP A 29 1.279 -4.444 1.663 1.00 60.11 H new ATOM 0 HB3 TRP A 29 2.801 -3.650 2.013 1.00 60.11 H new ATOM 0 HD1 TRP A 29 0.728 -5.801 4.515 1.00 11.52 H new ATOM 0 HE1 TRP A 29 2.187 -7.777 5.328 1.00 4.31 H new ATOM 0 HE3 TRP A 29 4.812 -4.979 1.558 1.00 12.35 H new ATOM 0 HZ2 TRP A 29 4.739 -8.809 4.750 1.00 1.42 H new ATOM 0 HZ3 TRP A 29 6.735 -6.508 1.746 1.00 75.13 H new ATOM 0 HH2 TRP A 29 6.694 -8.401 3.320 1.00 23.04 H new ATOM 322 N CYS A 30 0.943 -0.723 3.279 1.00 45.52 N ATOM 323 CA CYS A 30 0.691 0.569 2.649 1.00 62.13 C ATOM 324 C CYS A 30 1.397 1.691 3.405 1.00 74.41 C ATOM 325 O CYS A 30 0.778 2.468 4.131 1.00 10.30 O ATOM 326 CB CYS A 30 -0.812 0.846 2.590 1.00 40.14 C ATOM 327 SG CYS A 30 -1.294 2.043 1.323 1.00 33.44 S ATOM 0 H CYS A 30 1.123 -0.675 4.282 1.00 45.52 H new ATOM 0 HA CYS A 30 1.088 0.534 1.634 1.00 62.13 H new ATOM 0 HB2 CYS A 30 -1.336 -0.092 2.407 1.00 40.14 H new ATOM 0 HB3 CYS A 30 -1.142 1.210 3.563 1.00 40.14 H new ATOM 0 HG CYS A 30 -2.583 2.209 1.350 1.00 33.44 H new ATOM 333 N PRO A 31 2.725 1.775 3.233 1.00 64.24 N ATOM 334 CA PRO A 31 3.544 2.796 3.892 1.00 62.03 C ATOM 335 C PRO A 31 3.284 4.194 3.339 1.00 33.20 C ATOM 336 O PRO A 31 2.984 4.359 2.156 1.00 42.42 O ATOM 337 CB PRO A 31 4.976 2.355 3.581 1.00 2.23 C ATOM 338 CG PRO A 31 4.865 1.563 2.323 1.00 2.51 C ATOM 339 CD PRO A 31 3.527 0.881 2.382 1.00 10.01 C ATOM 0 HA PRO A 31 3.327 2.868 4.958 1.00 62.03 H new ATOM 0 HB2 PRO A 31 5.635 3.213 3.451 1.00 2.23 H new ATOM 0 HB3 PRO A 31 5.390 1.755 4.391 1.00 2.23 H new ATOM 0 HG2 PRO A 31 4.936 2.209 1.448 1.00 2.51 H new ATOM 0 HG3 PRO A 31 5.672 0.834 2.248 1.00 2.51 H new ATOM 0 HD2 PRO A 31 3.088 0.770 1.390 1.00 10.01 H new ATOM 0 HD3 PRO A 31 3.604 -0.119 2.810 1.00 10.01 H new ATOM 347 N THR A 32 3.402 5.198 4.201 1.00 13.44 N ATOM 348 CA THR A 32 3.180 6.581 3.800 1.00 34.53 C ATOM 349 C THR A 32 4.423 7.430 4.041 1.00 45.42 C ATOM 350 O THR A 32 4.324 8.604 4.398 1.00 73.14 O ATOM 351 CB THR A 32 1.992 7.202 4.558 1.00 52.13 C ATOM 352 OG1 THR A 32 2.194 7.080 5.970 1.00 11.35 O ATOM 353 CG2 THR A 32 0.686 6.525 4.167 1.00 11.55 C ATOM 0 H THR A 32 3.651 5.079 5.183 1.00 13.44 H new ATOM 0 HA THR A 32 2.954 6.568 2.734 1.00 34.53 H new ATOM 0 HB THR A 32 1.930 8.257 4.290 1.00 52.13 H new ATOM 0 HG1 THR A 32 1.435 7.479 6.445 1.00 11.35 H new ATOM 0 HG21 THR A 32 -0.138 6.981 4.715 1.00 11.55 H new ATOM 0 HG22 THR A 32 0.520 6.645 3.096 1.00 11.55 H new ATOM 0 HG23 THR A 32 0.740 5.464 4.409 1.00 11.55 H new ATOM 361 N SER A 33 5.592 6.830 3.842 1.00 4.11 N ATOM 362 CA SER A 33 6.855 7.532 4.042 1.00 74.51 C ATOM 363 C SER A 33 6.874 8.846 3.267 1.00 11.02 C ATOM 364 O SER A 33 6.542 8.888 2.082 1.00 73.24 O ATOM 365 CB SER A 33 8.027 6.650 3.604 1.00 63.44 C ATOM 366 OG SER A 33 8.587 5.962 4.707 1.00 13.01 O ATOM 0 H SER A 33 5.691 5.860 3.543 1.00 4.11 H new ATOM 0 HA SER A 33 6.955 7.756 5.104 1.00 74.51 H new ATOM 0 HB2 SER A 33 7.687 5.932 2.858 1.00 63.44 H new ATOM 0 HB3 SER A 33 8.791 7.265 3.129 1.00 63.44 H new ATOM 0 HG SER A 33 8.399 5.004 4.624 1.00 13.01 H new ATOM 372 N THR A 34 7.267 9.920 3.945 1.00 73.41 N ATOM 373 CA THR A 34 7.329 11.236 3.324 1.00 21.34 C ATOM 374 C THR A 34 8.764 11.608 2.968 1.00 2.33 C ATOM 375 O THR A 34 9.014 12.252 1.949 1.00 31.30 O ATOM 376 CB THR A 34 6.743 12.321 4.245 1.00 61.13 C ATOM 377 OG1 THR A 34 6.827 13.602 3.610 1.00 2.31 O ATOM 378 CG2 THR A 34 7.482 12.360 5.575 1.00 61.54 C ATOM 0 H THR A 34 7.547 9.903 4.926 1.00 73.41 H new ATOM 0 HA THR A 34 6.733 11.184 2.413 1.00 21.34 H new ATOM 0 HB THR A 34 5.698 12.078 4.435 1.00 61.13 H new ATOM 0 HG1 THR A 34 6.087 14.168 3.915 1.00 2.31 H new ATOM 0 HG21 THR A 34 7.050 13.134 6.209 1.00 61.54 H new ATOM 0 HG22 THR A 34 7.391 11.393 6.070 1.00 61.54 H new ATOM 0 HG23 THR A 34 8.535 12.580 5.400 1.00 61.54 H new ATOM 386 N SER A 35 9.704 11.199 3.813 1.00 33.01 N ATOM 387 CA SER A 35 11.114 11.492 3.589 1.00 13.54 C ATOM 388 C SER A 35 11.326 12.982 3.336 1.00 43.43 C ATOM 389 O SER A 35 11.946 13.374 2.348 1.00 21.32 O ATOM 390 CB SER A 35 11.645 10.682 2.405 1.00 65.55 C ATOM 391 OG SER A 35 11.620 9.294 2.686 1.00 34.22 O ATOM 0 H SER A 35 9.514 10.663 4.660 1.00 33.01 H new ATOM 0 HA SER A 35 11.664 11.211 4.487 1.00 13.54 H new ATOM 0 HB2 SER A 35 11.043 10.888 1.520 1.00 65.55 H new ATOM 0 HB3 SER A 35 12.665 10.992 2.176 1.00 65.55 H new ATOM 0 HG SER A 35 11.962 8.798 1.914 1.00 34.22 H new ATOM 397 N HIS A 36 10.805 13.808 4.238 1.00 5.15 N ATOM 398 CA HIS A 36 10.937 15.256 4.113 1.00 62.43 C ATOM 399 C HIS A 36 10.264 15.965 5.284 1.00 43.51 C ATOM 400 O HIS A 36 10.933 16.560 6.130 1.00 12.42 O ATOM 401 CB HIS A 36 10.326 15.733 2.795 1.00 41.13 C ATOM 402 CG HIS A 36 11.339 16.235 1.812 1.00 44.24 C ATOM 403 ND1 HIS A 36 11.570 15.631 0.595 1.00 34.50 N ATOM 404 CD2 HIS A 36 12.183 17.292 1.873 1.00 61.41 C ATOM 405 CE1 HIS A 36 12.513 16.293 -0.051 1.00 71.32 C ATOM 406 NE2 HIS A 36 12.902 17.305 0.702 1.00 40.23 N ATOM 0 H HIS A 36 10.288 13.501 5.062 1.00 5.15 H new ATOM 0 HA HIS A 36 11.999 15.502 4.123 1.00 62.43 H new ATOM 0 HB2 HIS A 36 9.770 14.911 2.344 1.00 41.13 H new ATOM 0 HB3 HIS A 36 9.609 16.527 3.003 1.00 41.13 H new ATOM 0 HD2 HIS A 36 12.274 17.993 2.689 1.00 61.41 H new ATOM 0 HE1 HIS A 36 12.900 16.048 -1.029 1.00 71.32 H new ATOM 0 HE2 HIS A 36 13.620 17.986 0.455 1.00 40.23 H new ATOM 414 N LEU A 37 8.937 15.899 5.328 1.00 11.35 N ATOM 415 CA LEU A 37 8.175 16.536 6.396 1.00 73.34 C ATOM 416 C LEU A 37 8.251 15.718 7.682 1.00 33.34 C ATOM 417 O LEU A 37 7.245 15.189 8.156 1.00 4.40 O ATOM 418 CB LEU A 37 6.714 16.706 5.974 1.00 1.45 C ATOM 419 CG LEU A 37 6.408 17.920 5.095 1.00 10.43 C ATOM 420 CD1 LEU A 37 6.646 17.591 3.630 1.00 34.44 C ATOM 421 CD2 LEU A 37 4.976 18.388 5.312 1.00 24.11 C ATOM 0 H LEU A 37 8.367 15.411 4.637 1.00 11.35 H new ATOM 0 HA LEU A 37 8.611 17.517 6.584 1.00 73.34 H new ATOM 0 HB2 LEU A 37 6.404 15.808 5.440 1.00 1.45 H new ATOM 0 HB3 LEU A 37 6.102 16.770 6.873 1.00 1.45 H new ATOM 0 HG LEU A 37 7.081 18.729 5.379 1.00 10.43 H new ATOM 0 HD11 LEU A 37 6.423 18.466 3.020 1.00 34.44 H new ATOM 0 HD12 LEU A 37 7.688 17.304 3.486 1.00 34.44 H new ATOM 0 HD13 LEU A 37 5.998 16.767 3.332 1.00 34.44 H new ATOM 0 HD21 LEU A 37 4.776 19.252 4.679 1.00 24.11 H new ATOM 0 HD22 LEU A 37 4.287 17.583 5.056 1.00 24.11 H new ATOM 0 HD23 LEU A 37 4.838 18.664 6.357 1.00 24.11 H new ATOM 433 N LYS A 38 9.451 15.621 8.244 1.00 34.54 N ATOM 434 CA LYS A 38 9.661 14.871 9.477 1.00 62.21 C ATOM 435 C LYS A 38 8.695 15.331 10.564 1.00 52.24 C ATOM 436 O LYS A 38 8.235 16.473 10.555 1.00 34.01 O ATOM 437 CB LYS A 38 11.104 15.034 9.960 1.00 25.44 C ATOM 438 CG LYS A 38 11.518 16.483 10.159 1.00 64.53 C ATOM 439 CD LYS A 38 13.009 16.671 9.944 1.00 3.05 C ATOM 440 CE LYS A 38 13.357 18.131 9.695 1.00 60.30 C ATOM 441 NZ LYS A 38 14.683 18.280 9.035 1.00 21.24 N ATOM 0 H LYS A 38 10.294 16.053 7.865 1.00 34.54 H new ATOM 0 HA LYS A 38 9.472 13.818 9.268 1.00 62.21 H new ATOM 0 HB2 LYS A 38 11.226 14.497 10.901 1.00 25.44 H new ATOM 0 HB3 LYS A 38 11.775 14.569 9.238 1.00 25.44 H new ATOM 0 HG2 LYS A 38 10.967 17.118 9.466 1.00 64.53 H new ATOM 0 HG3 LYS A 38 11.251 16.803 11.166 1.00 64.53 H new ATOM 0 HD2 LYS A 38 13.552 16.310 10.818 1.00 3.05 H new ATOM 0 HD3 LYS A 38 13.334 16.069 9.096 1.00 3.05 H new ATOM 0 HE2 LYS A 38 12.588 18.586 9.071 1.00 60.30 H new ATOM 0 HE3 LYS A 38 13.360 18.670 10.642 1.00 60.30 H new ATOM 0 HZ1 LYS A 38 14.883 19.289 8.883 1.00 21.24 H new ATOM 0 HZ2 LYS A 38 15.421 17.868 9.641 1.00 21.24 H new ATOM 0 HZ3 LYS A 38 14.672 17.787 8.119 1.00 21.24 H new ATOM 455 N GLU A 39 8.393 14.436 11.499 1.00 31.42 N ATOM 456 CA GLU A 39 7.482 14.752 12.593 1.00 25.11 C ATOM 457 C GLU A 39 8.055 14.289 13.929 1.00 11.10 C ATOM 458 O GLU A 39 9.219 13.901 14.017 1.00 23.13 O ATOM 459 CB GLU A 39 6.118 14.099 12.356 1.00 13.25 C ATOM 460 CG GLU A 39 4.944 14.998 12.704 1.00 34.31 C ATOM 461 CD GLU A 39 3.727 14.726 11.842 1.00 64.01 C ATOM 462 OE1 GLU A 39 3.578 13.579 11.370 1.00 12.32 O ATOM 463 OE2 GLU A 39 2.923 15.660 11.639 1.00 64.22 O ATOM 0 H GLU A 39 8.766 13.487 11.521 1.00 31.42 H new ATOM 0 HA GLU A 39 7.357 15.834 12.627 1.00 25.11 H new ATOM 0 HB2 GLU A 39 6.042 13.806 11.309 1.00 13.25 H new ATOM 0 HB3 GLU A 39 6.054 13.186 12.948 1.00 13.25 H new ATOM 0 HG2 GLU A 39 4.681 14.857 13.752 1.00 34.31 H new ATOM 0 HG3 GLU A 39 5.242 16.040 12.588 1.00 34.31 H new ATOM 470 N ALA A 40 7.227 14.334 14.969 1.00 31.22 N ATOM 471 CA ALA A 40 7.650 13.918 16.300 1.00 12.51 C ATOM 472 C ALA A 40 8.755 14.823 16.832 1.00 12.54 C ATOM 473 O ALA A 40 9.730 14.350 17.417 1.00 70.43 O ATOM 474 CB ALA A 40 8.116 12.469 16.278 1.00 2.22 C ATOM 0 H ALA A 40 6.260 14.654 14.914 1.00 31.22 H new ATOM 0 HA ALA A 40 6.794 14.002 16.969 1.00 12.51 H new ATOM 0 HB1 ALA A 40 8.429 12.172 17.279 1.00 2.22 H new ATOM 0 HB2 ALA A 40 7.298 11.829 15.949 1.00 2.22 H new ATOM 0 HB3 ALA A 40 8.956 12.367 15.590 1.00 2.22 H new ATOM 480 N GLU A 41 8.597 16.127 16.626 1.00 34.04 N ATOM 481 CA GLU A 41 9.584 17.097 17.084 1.00 10.11 C ATOM 482 C GLU A 41 10.982 16.724 16.598 1.00 30.32 C ATOM 483 O GLU A 41 11.740 16.062 17.306 1.00 22.03 O ATOM 484 CB GLU A 41 9.572 17.189 18.612 1.00 74.31 C ATOM 485 CG GLU A 41 8.370 17.934 19.168 1.00 31.45 C ATOM 486 CD GLU A 41 8.751 18.937 20.239 1.00 0.10 C ATOM 487 OE1 GLU A 41 9.639 18.620 21.058 1.00 14.21 O ATOM 488 OE2 GLU A 41 8.161 20.037 20.259 1.00 13.20 O ATOM 0 H GLU A 41 7.795 16.535 16.145 1.00 34.04 H new ATOM 0 HA GLU A 41 9.320 18.068 16.666 1.00 10.11 H new ATOM 0 HB2 GLU A 41 9.589 16.182 19.028 1.00 74.31 H new ATOM 0 HB3 GLU A 41 10.483 17.687 18.945 1.00 74.31 H new ATOM 0 HG2 GLU A 41 7.860 18.452 18.355 1.00 31.45 H new ATOM 0 HG3 GLU A 41 7.662 17.216 19.583 1.00 31.45 H new ATOM 495 N GLU A 42 11.314 17.154 15.384 1.00 71.32 N ATOM 496 CA GLU A 42 12.619 16.863 14.802 1.00 21.15 C ATOM 497 C GLU A 42 13.460 18.132 14.690 1.00 73.23 C ATOM 498 O GLU A 42 12.936 19.217 14.435 1.00 63.12 O ATOM 499 CB GLU A 42 12.455 16.223 13.422 1.00 1.14 C ATOM 500 CG GLU A 42 13.463 15.121 13.139 1.00 23.15 C ATOM 501 CD GLU A 42 13.281 13.917 14.044 1.00 4.43 C ATOM 502 OE1 GLU A 42 12.428 13.061 13.730 1.00 23.34 O ATOM 503 OE2 GLU A 42 13.992 13.833 15.068 1.00 24.42 O ATOM 0 H GLU A 42 10.698 17.704 14.786 1.00 71.32 H new ATOM 0 HA GLU A 42 13.134 16.163 15.460 1.00 21.15 H new ATOM 0 HB2 GLU A 42 11.448 15.814 13.338 1.00 1.14 H new ATOM 0 HB3 GLU A 42 12.550 16.995 12.659 1.00 1.14 H new ATOM 0 HG2 GLU A 42 13.370 14.807 12.099 1.00 23.15 H new ATOM 0 HG3 GLU A 42 14.471 15.515 13.264 1.00 23.15 H new ATOM 510 N LYS A 43 14.766 17.988 14.884 1.00 72.04 N ATOM 511 CA LYS A 43 15.681 19.120 14.805 1.00 11.35 C ATOM 512 C LYS A 43 15.488 19.885 13.500 1.00 1.14 C ATOM 513 O LYS A 43 15.860 19.375 12.444 1.00 24.31 O ATOM 514 CB LYS A 43 17.130 18.641 14.918 1.00 72.05 C ATOM 515 CG LYS A 43 18.053 19.645 15.586 1.00 43.43 C ATOM 516 CD LYS A 43 18.280 20.863 14.707 1.00 3.31 C ATOM 517 CE LYS A 43 19.762 21.159 14.536 1.00 30.13 C ATOM 518 NZ LYS A 43 20.468 21.228 15.846 1.00 23.03 N ATOM 0 H LYS A 43 15.215 17.097 15.097 1.00 72.04 H new ATOM 0 HA LYS A 43 15.461 19.791 15.635 1.00 11.35 H new ATOM 0 HB2 LYS A 43 17.152 17.709 15.482 1.00 72.05 H new ATOM 0 HB3 LYS A 43 17.509 18.419 13.920 1.00 72.05 H new ATOM 0 HG2 LYS A 43 17.625 19.957 16.538 1.00 43.43 H new ATOM 0 HG3 LYS A 43 19.009 19.171 15.807 1.00 43.43 H new ATOM 0 HD2 LYS A 43 17.826 20.698 13.730 1.00 3.31 H new ATOM 0 HD3 LYS A 43 17.784 21.728 15.147 1.00 3.31 H new ATOM 0 HE2 LYS A 43 20.218 20.386 13.918 1.00 30.13 H new ATOM 0 HE3 LYS A 43 19.885 22.104 14.007 1.00 30.13 H new ATOM 0 HZ1 LYS A 43 21.259 21.900 15.779 1.00 23.03 H new ATOM 0 HZ2 LYS A 43 19.805 21.546 16.581 1.00 23.03 H new ATOM 0 HZ3 LYS A 43 20.834 20.286 16.093 1.00 23.03 H new TER 532 LYS A 43