USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 290 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -82:sc= 0.682 USER MOD Single : A 10 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.048) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00392) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 147:sc= -0.164 (180deg=-0.863) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 159:sc= -0.07 (180deg=-0.385) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N TRP A 4 -1.739 6.769 -1.631 1.00 14.42 N ATOM 66 CA TRP A 4 -2.167 8.049 -1.076 1.00 44.04 C ATOM 67 C TRP A 4 -1.882 9.187 -2.051 1.00 22.42 C ATOM 68 O TRP A 4 -2.548 10.221 -2.024 1.00 70.54 O ATOM 69 CB TRP A 4 -1.461 8.313 0.255 1.00 60.52 C ATOM 70 CG TRP A 4 -1.772 7.289 1.305 1.00 63.14 C ATOM 71 CD1 TRP A 4 -0.916 6.359 1.821 1.00 65.41 C ATOM 72 CD2 TRP A 4 -3.027 7.091 1.964 1.00 51.50 C ATOM 73 NE1 TRP A 4 -1.563 5.595 2.762 1.00 72.44 N ATOM 74 CE2 TRP A 4 -2.859 6.025 2.869 1.00 73.24 C ATOM 75 CE3 TRP A 4 -4.276 7.713 1.880 1.00 42.00 C ATOM 76 CZ2 TRP A 4 -3.894 5.568 3.680 1.00 31.23 C ATOM 77 CZ3 TRP A 4 -5.302 7.258 2.686 1.00 1.10 C ATOM 78 CH2 TRP A 4 -5.106 6.195 3.577 1.00 31.41 C ATOM 0 HA TRP A 4 -3.243 8.002 -0.905 1.00 44.04 H new ATOM 0 HB2 TRP A 4 -0.384 8.337 0.089 1.00 60.52 H new ATOM 0 HB3 TRP A 4 -1.749 9.298 0.622 1.00 60.52 H new ATOM 0 HD1 TRP A 4 0.118 6.241 1.532 1.00 65.41 H new ATOM 0 HE1 TRP A 4 -1.146 4.832 3.294 1.00 72.44 H new ATOM 0 HE3 TRP A 4 -4.436 8.534 1.197 1.00 42.00 H new ATOM 0 HZ2 TRP A 4 -3.746 4.747 4.366 1.00 31.23 H new ATOM 0 HZ3 TRP A 4 -6.272 7.730 2.628 1.00 1.10 H new ATOM 0 HH2 TRP A 4 -5.928 5.864 4.195 1.00 31.41 H new ATOM 89 N GLY A 5 -0.887 8.989 -2.911 1.00 32.21 N ATOM 90 CA GLY A 5 -0.532 10.007 -3.882 1.00 15.42 C ATOM 91 C GLY A 5 -1.725 10.479 -4.690 1.00 33.24 C ATOM 92 O GLY A 5 -1.776 11.630 -5.123 1.00 1.34 O ATOM 0 H GLY A 5 -0.321 8.142 -2.952 1.00 32.21 H new ATOM 0 HA2 GLY A 5 -0.087 10.858 -3.366 1.00 15.42 H new ATOM 0 HA3 GLY A 5 0.227 9.612 -4.557 1.00 15.42 H new ATOM 96 N LYS A 6 -2.688 9.587 -4.895 1.00 74.12 N ATOM 97 CA LYS A 6 -3.887 9.916 -5.657 1.00 12.41 C ATOM 98 C LYS A 6 -4.657 11.054 -4.994 1.00 75.10 C ATOM 99 O LYS A 6 -4.925 12.082 -5.617 1.00 53.04 O ATOM 100 CB LYS A 6 -4.787 8.686 -5.789 1.00 32.35 C ATOM 101 CG LYS A 6 -5.668 8.705 -7.026 1.00 45.41 C ATOM 102 CD LYS A 6 -6.006 7.299 -7.492 1.00 41.32 C ATOM 103 CE LYS A 6 -7.484 6.992 -7.308 1.00 71.30 C ATOM 104 NZ LYS A 6 -7.708 5.584 -6.877 1.00 71.13 N ATOM 0 H LYS A 6 -2.662 8.630 -4.544 1.00 74.12 H new ATOM 0 HA LYS A 6 -3.578 10.240 -6.651 1.00 12.41 H new ATOM 0 HB2 LYS A 6 -4.164 7.792 -5.811 1.00 32.35 H new ATOM 0 HB3 LYS A 6 -5.419 8.613 -4.904 1.00 32.35 H new ATOM 0 HG2 LYS A 6 -6.588 9.249 -6.810 1.00 45.41 H new ATOM 0 HG3 LYS A 6 -5.160 9.243 -7.827 1.00 45.41 H new ATOM 0 HD2 LYS A 6 -5.738 7.188 -8.543 1.00 41.32 H new ATOM 0 HD3 LYS A 6 -5.411 6.576 -6.934 1.00 41.32 H new ATOM 0 HE2 LYS A 6 -7.906 7.670 -6.567 1.00 71.30 H new ATOM 0 HE3 LYS A 6 -8.012 7.174 -8.244 1.00 71.30 H new ATOM 0 HZ1 LYS A 6 -8.728 5.414 -6.762 1.00 71.13 H new ATOM 0 HZ2 LYS A 6 -7.328 4.936 -7.596 1.00 71.13 H new ATOM 0 HZ3 LYS A 6 -7.225 5.417 -5.971 1.00 71.13 H new ATOM 118 N LEU A 7 -5.010 10.864 -3.727 1.00 41.23 N ATOM 119 CA LEU A 7 -5.748 11.875 -2.979 1.00 13.51 C ATOM 120 C LEU A 7 -4.912 13.139 -2.800 1.00 34.44 C ATOM 121 O LEU A 7 -5.411 14.253 -2.959 1.00 4.23 O ATOM 122 CB LEU A 7 -6.162 11.326 -1.613 1.00 35.03 C ATOM 123 CG LEU A 7 -7.340 10.351 -1.610 1.00 72.24 C ATOM 124 CD1 LEU A 7 -7.573 9.798 -0.213 1.00 24.31 C ATOM 125 CD2 LEU A 7 -8.597 11.031 -2.132 1.00 52.44 C ATOM 0 H LEU A 7 -4.797 10.019 -3.197 1.00 41.23 H new ATOM 0 HA LEU A 7 -6.642 12.131 -3.547 1.00 13.51 H new ATOM 0 HB2 LEU A 7 -5.301 10.826 -1.169 1.00 35.03 H new ATOM 0 HB3 LEU A 7 -6.411 12.167 -0.966 1.00 35.03 H new ATOM 0 HG LEU A 7 -7.099 9.519 -2.272 1.00 72.24 H new ATOM 0 HD11 LEU A 7 -8.415 9.106 -0.231 1.00 24.31 H new ATOM 0 HD12 LEU A 7 -6.679 9.273 0.124 1.00 24.31 H new ATOM 0 HD13 LEU A 7 -7.792 10.618 0.471 1.00 24.31 H new ATOM 0 HD21 LEU A 7 -9.425 10.322 -2.123 1.00 52.44 H new ATOM 0 HD22 LEU A 7 -8.841 11.882 -1.496 1.00 52.44 H new ATOM 0 HD23 LEU A 7 -8.427 11.377 -3.152 1.00 52.44 H new ATOM 137 N PHE A 8 -3.638 12.957 -2.469 1.00 71.34 N ATOM 138 CA PHE A 8 -2.732 14.082 -2.270 1.00 21.43 C ATOM 139 C PHE A 8 -2.637 14.935 -3.531 1.00 74.55 C ATOM 140 O PHE A 8 -2.840 16.148 -3.490 1.00 4.00 O ATOM 141 CB PHE A 8 -1.342 13.580 -1.874 1.00 65.04 C ATOM 142 CG PHE A 8 -1.059 13.694 -0.404 1.00 2.24 C ATOM 143 CD1 PHE A 8 -1.907 13.114 0.525 1.00 33.14 C ATOM 144 CD2 PHE A 8 0.056 14.381 0.050 1.00 54.42 C ATOM 145 CE1 PHE A 8 -1.650 13.218 1.879 1.00 2.33 C ATOM 146 CE2 PHE A 8 0.319 14.489 1.403 1.00 75.35 C ATOM 147 CZ PHE A 8 -0.535 13.905 2.318 1.00 1.43 C ATOM 0 H PHE A 8 -3.210 12.041 -2.333 1.00 71.34 H new ATOM 0 HA PHE A 8 -3.131 14.699 -1.465 1.00 21.43 H new ATOM 0 HB2 PHE A 8 -1.242 12.537 -2.175 1.00 65.04 H new ATOM 0 HB3 PHE A 8 -0.590 14.145 -2.425 1.00 65.04 H new ATOM 0 HD1 PHE A 8 -2.779 12.574 0.187 1.00 33.14 H new ATOM 0 HD2 PHE A 8 0.728 14.838 -0.662 1.00 54.42 H new ATOM 0 HE1 PHE A 8 -2.320 12.763 2.593 1.00 2.33 H new ATOM 0 HE2 PHE A 8 1.190 15.029 1.744 1.00 75.35 H new ATOM 0 HZ PHE A 8 -0.331 13.985 3.376 1.00 1.43 H new ATOM 157 N SER A 9 -2.328 14.290 -4.652 1.00 52.32 N ATOM 158 CA SER A 9 -2.202 14.989 -5.926 1.00 12.22 C ATOM 159 C SER A 9 -3.506 15.692 -6.291 1.00 10.41 C ATOM 160 O SER A 9 -3.527 16.898 -6.540 1.00 0.31 O ATOM 161 CB SER A 9 -1.811 14.009 -7.033 1.00 61.22 C ATOM 162 OG SER A 9 -2.819 13.032 -7.229 1.00 43.12 O ATOM 0 H SER A 9 -2.160 13.285 -4.704 1.00 52.32 H new ATOM 0 HA SER A 9 -1.420 15.741 -5.824 1.00 12.22 H new ATOM 0 HB2 SER A 9 -1.642 14.553 -7.962 1.00 61.22 H new ATOM 0 HB3 SER A 9 -0.872 13.520 -6.775 1.00 61.22 H new ATOM 0 HG SER A 9 -2.715 12.317 -6.567 1.00 43.12 H new ATOM 168 N THR A 10 -4.594 14.929 -6.321 1.00 14.41 N ATOM 169 CA THR A 10 -5.903 15.477 -6.656 1.00 63.03 C ATOM 170 C THR A 10 -6.223 16.698 -5.802 1.00 11.10 C ATOM 171 O THR A 10 -6.507 17.776 -6.324 1.00 61.43 O ATOM 172 CB THR A 10 -7.015 14.428 -6.470 1.00 52.12 C ATOM 173 OG1 THR A 10 -6.729 13.266 -7.257 1.00 34.04 O ATOM 174 CG2 THR A 10 -8.368 14.997 -6.870 1.00 50.34 C ATOM 0 H THR A 10 -4.595 13.930 -6.117 1.00 14.41 H new ATOM 0 HA THR A 10 -5.864 15.772 -7.705 1.00 63.03 H new ATOM 0 HB THR A 10 -7.052 14.153 -5.416 1.00 52.12 H new ATOM 0 HG1 THR A 10 -6.069 12.710 -6.792 1.00 34.04 H new ATOM 0 HG21 THR A 10 -9.138 14.238 -6.730 1.00 50.34 H new ATOM 0 HG22 THR A 10 -8.596 15.864 -6.250 1.00 50.34 H new ATOM 0 HG23 THR A 10 -8.341 15.298 -7.917 1.00 50.34 H new ATOM 182 N ALA A 11 -6.175 16.522 -4.486 1.00 13.55 N ATOM 183 CA ALA A 11 -6.458 17.611 -3.559 1.00 1.52 C ATOM 184 C ALA A 11 -5.605 18.836 -3.874 1.00 21.43 C ATOM 185 O ALA A 11 -6.105 19.960 -3.914 1.00 42.04 O ATOM 186 CB ALA A 11 -6.225 17.158 -2.125 1.00 52.21 C ATOM 0 H ALA A 11 -5.943 15.636 -4.038 1.00 13.55 H new ATOM 0 HA ALA A 11 -7.505 17.890 -3.675 1.00 1.52 H new ATOM 0 HB1 ALA A 11 -6.440 17.981 -1.444 1.00 52.21 H new ATOM 0 HB2 ALA A 11 -6.881 16.318 -1.898 1.00 52.21 H new ATOM 0 HB3 ALA A 11 -5.186 16.850 -2.005 1.00 52.21 H new ATOM 192 N LYS A 12 -4.314 18.610 -4.095 1.00 53.53 N ATOM 193 CA LYS A 12 -3.391 19.695 -4.407 1.00 64.42 C ATOM 194 C LYS A 12 -3.881 20.499 -5.607 1.00 65.43 C ATOM 195 O LYS A 12 -4.045 21.716 -5.527 1.00 11.10 O ATOM 196 CB LYS A 12 -1.994 19.137 -4.690 1.00 22.34 C ATOM 197 CG LYS A 12 -0.899 19.794 -3.868 1.00 23.05 C ATOM 198 CD LYS A 12 0.465 19.202 -4.181 1.00 43.43 C ATOM 199 CE LYS A 12 1.292 19.007 -2.919 1.00 52.14 C ATOM 200 NZ LYS A 12 1.500 20.288 -2.189 1.00 30.11 N ATOM 0 H LYS A 12 -3.884 17.686 -4.064 1.00 53.53 H new ATOM 0 HA LYS A 12 -3.344 20.358 -3.543 1.00 64.42 H new ATOM 0 HB2 LYS A 12 -1.993 18.065 -4.491 1.00 22.34 H new ATOM 0 HB3 LYS A 12 -1.768 19.265 -5.749 1.00 22.34 H new ATOM 0 HG2 LYS A 12 -0.886 20.865 -4.068 1.00 23.05 H new ATOM 0 HG3 LYS A 12 -1.115 19.670 -2.807 1.00 23.05 H new ATOM 0 HD2 LYS A 12 0.340 18.244 -4.687 1.00 43.43 H new ATOM 0 HD3 LYS A 12 0.998 19.858 -4.869 1.00 43.43 H new ATOM 0 HE2 LYS A 12 0.793 18.293 -2.264 1.00 52.14 H new ATOM 0 HE3 LYS A 12 2.259 18.577 -3.181 1.00 52.14 H new ATOM 0 HZ1 LYS A 12 2.164 20.136 -1.403 1.00 30.11 H new ATOM 0 HZ2 LYS A 12 1.891 20.999 -2.840 1.00 30.11 H new ATOM 0 HZ3 LYS A 12 0.591 20.625 -1.814 1.00 30.11 H new ATOM 214 N LYS A 13 -4.114 19.810 -6.720 1.00 5.14 N ATOM 215 CA LYS A 13 -4.588 20.459 -7.936 1.00 63.34 C ATOM 216 C LYS A 13 -5.853 21.267 -7.665 1.00 23.42 C ATOM 217 O LYS A 13 -5.891 22.476 -7.896 1.00 22.13 O ATOM 218 CB LYS A 13 -4.859 19.415 -9.022 1.00 55.34 C ATOM 219 CG LYS A 13 -4.082 19.656 -10.305 1.00 31.51 C ATOM 220 CD LYS A 13 -2.830 18.797 -10.367 1.00 41.11 C ATOM 221 CE LYS A 13 -3.104 17.460 -11.039 1.00 5.04 C ATOM 222 NZ LYS A 13 -2.330 17.305 -12.301 1.00 65.33 N ATOM 0 H LYS A 13 -3.982 18.802 -6.804 1.00 5.14 H new ATOM 0 HA LYS A 13 -3.811 21.141 -8.281 1.00 63.34 H new ATOM 0 HB2 LYS A 13 -4.608 18.427 -8.635 1.00 55.34 H new ATOM 0 HB3 LYS A 13 -5.925 19.407 -9.249 1.00 55.34 H new ATOM 0 HG2 LYS A 13 -4.718 19.437 -11.163 1.00 31.51 H new ATOM 0 HG3 LYS A 13 -3.806 20.708 -10.373 1.00 31.51 H new ATOM 0 HD2 LYS A 13 -2.050 19.327 -10.914 1.00 41.11 H new ATOM 0 HD3 LYS A 13 -2.453 18.628 -9.358 1.00 41.11 H new ATOM 0 HE2 LYS A 13 -2.849 16.651 -10.355 1.00 5.04 H new ATOM 0 HE3 LYS A 13 -4.169 17.373 -11.253 1.00 5.04 H new ATOM 0 HZ1 LYS A 13 -2.544 16.381 -12.728 1.00 65.33 H new ATOM 0 HZ2 LYS A 13 -2.592 18.062 -12.964 1.00 65.33 H new ATOM 0 HZ3 LYS A 13 -1.313 17.363 -12.094 1.00 65.33 H new ATOM 236 N LEU A 14 -6.886 20.592 -7.172 1.00 64.13 N ATOM 237 CA LEU A 14 -8.153 21.248 -6.867 1.00 65.44 C ATOM 238 C LEU A 14 -7.933 22.471 -5.983 1.00 55.11 C ATOM 239 O LEU A 14 -8.516 23.531 -6.217 1.00 24.44 O ATOM 240 CB LEU A 14 -9.103 20.268 -6.176 1.00 41.33 C ATOM 241 CG LEU A 14 -10.296 19.793 -7.006 1.00 32.33 C ATOM 242 CD1 LEU A 14 -11.169 18.849 -6.193 1.00 13.52 C ATOM 243 CD2 LEU A 14 -11.109 20.980 -7.501 1.00 45.33 C ATOM 0 H LEU A 14 -6.871 19.591 -6.975 1.00 64.13 H new ATOM 0 HA LEU A 14 -8.600 21.577 -7.805 1.00 65.44 H new ATOM 0 HB2 LEU A 14 -8.530 19.394 -5.867 1.00 41.33 H new ATOM 0 HB3 LEU A 14 -9.481 20.738 -5.268 1.00 41.33 H new ATOM 0 HG LEU A 14 -9.918 19.251 -7.873 1.00 32.33 H new ATOM 0 HD11 LEU A 14 -12.013 18.521 -6.800 1.00 13.52 H new ATOM 0 HD12 LEU A 14 -10.582 17.982 -5.889 1.00 13.52 H new ATOM 0 HD13 LEU A 14 -11.538 19.366 -5.307 1.00 13.52 H new ATOM 0 HD21 LEU A 14 -11.954 20.622 -8.090 1.00 45.33 H new ATOM 0 HD22 LEU A 14 -11.477 21.550 -6.648 1.00 45.33 H new ATOM 0 HD23 LEU A 14 -10.480 21.619 -8.120 1.00 45.33 H new ATOM 255 N TYR A 15 -7.089 22.318 -4.969 1.00 74.10 N ATOM 256 CA TYR A 15 -6.793 23.410 -4.049 1.00 53.05 C ATOM 257 C TYR A 15 -6.278 24.632 -4.803 1.00 44.22 C ATOM 258 O TYR A 15 -6.881 25.704 -4.760 1.00 14.23 O ATOM 259 CB TYR A 15 -5.762 22.965 -3.011 1.00 72.10 C ATOM 260 CG TYR A 15 -5.255 24.092 -2.139 1.00 72.45 C ATOM 261 CD1 TYR A 15 -4.174 24.870 -2.535 1.00 71.33 C ATOM 262 CD2 TYR A 15 -5.856 24.378 -0.920 1.00 74.30 C ATOM 263 CE1 TYR A 15 -3.707 25.900 -1.742 1.00 61.21 C ATOM 264 CE2 TYR A 15 -5.397 25.407 -0.121 1.00 61.31 C ATOM 265 CZ TYR A 15 -4.322 26.165 -0.536 1.00 61.42 C ATOM 266 OH TYR A 15 -3.860 27.190 0.257 1.00 33.44 O ATOM 0 H TYR A 15 -6.598 21.448 -4.763 1.00 74.10 H new ATOM 0 HA TYR A 15 -7.717 23.683 -3.539 1.00 53.05 H new ATOM 0 HB2 TYR A 15 -6.205 22.197 -2.377 1.00 72.10 H new ATOM 0 HB3 TYR A 15 -4.917 22.506 -3.524 1.00 72.10 H new ATOM 0 HD1 TYR A 15 -3.691 24.666 -3.479 1.00 71.33 H new ATOM 0 HD2 TYR A 15 -6.697 23.785 -0.591 1.00 74.30 H new ATOM 0 HE1 TYR A 15 -2.865 26.495 -2.064 1.00 61.21 H new ATOM 0 HE2 TYR A 15 -5.877 25.617 0.823 1.00 61.31 H new ATOM 0 HH TYR A 15 -4.403 27.244 1.071 1.00 33.44 H new ATOM 276 N LYS A 16 -5.156 24.462 -5.495 1.00 52.43 N ATOM 277 CA LYS A 16 -4.557 25.549 -6.262 1.00 35.15 C ATOM 278 C LYS A 16 -5.582 26.185 -7.195 1.00 13.51 C ATOM 279 O LYS A 16 -5.660 27.409 -7.307 1.00 12.15 O ATOM 280 CB LYS A 16 -3.366 25.033 -7.071 1.00 44.11 C ATOM 281 CG LYS A 16 -2.046 25.681 -6.690 1.00 64.41 C ATOM 282 CD LYS A 16 -2.108 27.193 -6.822 1.00 43.12 C ATOM 283 CE LYS A 16 -0.717 27.805 -6.886 1.00 64.41 C ATOM 284 NZ LYS A 16 -0.614 29.037 -6.056 1.00 25.53 N ATOM 0 H LYS A 16 -4.643 23.582 -5.541 1.00 52.43 H new ATOM 0 HA LYS A 16 -4.210 26.308 -5.561 1.00 35.15 H new ATOM 0 HB2 LYS A 16 -3.285 23.955 -6.935 1.00 44.11 H new ATOM 0 HB3 LYS A 16 -3.554 25.207 -8.130 1.00 44.11 H new ATOM 0 HG2 LYS A 16 -1.792 25.415 -5.664 1.00 64.41 H new ATOM 0 HG3 LYS A 16 -1.251 25.292 -7.327 1.00 64.41 H new ATOM 0 HD2 LYS A 16 -2.665 27.458 -7.721 1.00 43.12 H new ATOM 0 HD3 LYS A 16 -2.652 27.611 -5.975 1.00 43.12 H new ATOM 0 HE2 LYS A 16 0.017 27.075 -6.545 1.00 64.41 H new ATOM 0 HE3 LYS A 16 -0.472 28.043 -7.921 1.00 64.41 H new ATOM 0 HZ1 LYS A 16 0.339 29.442 -6.153 1.00 25.53 H new ATOM 0 HZ2 LYS A 16 -1.320 29.731 -6.375 1.00 25.53 H new ATOM 0 HZ3 LYS A 16 -0.789 28.799 -5.059 1.00 25.53 H new ATOM 298 N LYS A 17 -6.368 25.348 -7.863 1.00 31.21 N ATOM 299 CA LYS A 17 -7.391 25.828 -8.785 1.00 24.22 C ATOM 300 C LYS A 17 -8.405 26.709 -8.062 1.00 64.40 C ATOM 301 O LYS A 17 -8.635 27.853 -8.449 1.00 44.44 O ATOM 302 CB LYS A 17 -8.105 24.647 -9.446 1.00 41.04 C ATOM 303 CG LYS A 17 -8.519 24.914 -10.883 1.00 53.30 C ATOM 304 CD LYS A 17 -9.874 24.301 -11.196 1.00 11.52 C ATOM 305 CE LYS A 17 -10.997 25.312 -11.018 1.00 32.42 C ATOM 306 NZ LYS A 17 -11.873 24.969 -9.863 1.00 54.13 N ATOM 0 H LYS A 17 -6.316 24.332 -7.783 1.00 31.21 H new ATOM 0 HA LYS A 17 -6.901 26.425 -9.554 1.00 24.22 H new ATOM 0 HB2 LYS A 17 -7.449 23.777 -9.421 1.00 41.04 H new ATOM 0 HB3 LYS A 17 -8.991 24.396 -8.862 1.00 41.04 H new ATOM 0 HG2 LYS A 17 -8.556 25.989 -11.058 1.00 53.30 H new ATOM 0 HG3 LYS A 17 -7.769 24.506 -11.561 1.00 53.30 H new ATOM 0 HD2 LYS A 17 -9.878 23.928 -12.220 1.00 11.52 H new ATOM 0 HD3 LYS A 17 -10.047 23.445 -10.544 1.00 11.52 H new ATOM 0 HE2 LYS A 17 -10.572 26.305 -10.870 1.00 32.42 H new ATOM 0 HE3 LYS A 17 -11.595 25.354 -11.928 1.00 32.42 H new ATOM 0 HZ1 LYS A 17 -12.626 25.681 -9.775 1.00 54.13 H new ATOM 0 HZ2 LYS A 17 -12.299 24.033 -10.016 1.00 54.13 H new ATOM 0 HZ3 LYS A 17 -11.307 24.954 -8.991 1.00 54.13 H new ATOM 320 N GLY A 18 -9.008 26.167 -7.008 1.00 62.10 N ATOM 321 CA GLY A 18 -9.989 26.918 -6.247 1.00 41.43 C ATOM 322 C GLY A 18 -9.454 28.255 -5.772 1.00 31.44 C ATOM 323 O GLY A 18 -10.036 29.302 -6.055 1.00 34.30 O ATOM 0 H GLY A 18 -8.834 25.221 -6.668 1.00 62.10 H new ATOM 0 HA2 GLY A 18 -10.874 27.082 -6.862 1.00 41.43 H new ATOM 0 HA3 GLY A 18 -10.304 26.329 -5.385 1.00 41.43 H new ATOM 327 N LYS A 19 -8.343 28.220 -5.044 1.00 44.24 N ATOM 328 CA LYS A 19 -7.728 29.437 -4.527 1.00 13.10 C ATOM 329 C LYS A 19 -7.493 30.446 -5.646 1.00 40.24 C ATOM 330 O LYS A 19 -7.970 31.579 -5.585 1.00 54.44 O ATOM 331 CB LYS A 19 -6.403 29.109 -3.834 1.00 55.45 C ATOM 332 CG LYS A 19 -6.093 30.015 -2.655 1.00 74.01 C ATOM 333 CD LYS A 19 -5.003 31.018 -2.994 1.00 32.14 C ATOM 334 CE LYS A 19 -5.475 32.448 -2.777 1.00 25.31 C ATOM 335 NZ LYS A 19 -6.042 32.644 -1.414 1.00 43.31 N ATOM 0 H LYS A 19 -7.850 27.362 -4.799 1.00 44.24 H new ATOM 0 HA LYS A 19 -8.411 29.879 -3.801 1.00 13.10 H new ATOM 0 HB2 LYS A 19 -6.429 28.075 -3.490 1.00 55.45 H new ATOM 0 HB3 LYS A 19 -5.594 29.183 -4.561 1.00 55.45 H new ATOM 0 HG2 LYS A 19 -6.997 30.546 -2.355 1.00 74.01 H new ATOM 0 HG3 LYS A 19 -5.781 29.411 -1.803 1.00 74.01 H new ATOM 0 HD2 LYS A 19 -4.125 30.826 -2.377 1.00 32.14 H new ATOM 0 HD3 LYS A 19 -4.697 30.888 -4.032 1.00 32.14 H new ATOM 0 HE2 LYS A 19 -4.640 33.133 -2.925 1.00 25.31 H new ATOM 0 HE3 LYS A 19 -6.229 32.699 -3.523 1.00 25.31 H new ATOM 0 HZ1 LYS A 19 -5.839 33.611 -1.089 1.00 43.31 H new ATOM 0 HZ2 LYS A 19 -7.071 32.497 -1.442 1.00 43.31 H new ATOM 0 HZ3 LYS A 19 -5.612 31.961 -0.758 1.00 43.31 H new ATOM 349 N LYS A 20 -6.755 30.027 -6.669 1.00 54.20 N ATOM 350 CA LYS A 20 -6.459 30.893 -7.804 1.00 64.43 C ATOM 351 C LYS A 20 -7.741 31.456 -8.408 1.00 43.44 C ATOM 352 O LYS A 20 -7.824 32.647 -8.715 1.00 64.40 O ATOM 353 CB LYS A 20 -5.677 30.121 -8.870 1.00 23.24 C ATOM 354 CG LYS A 20 -4.179 30.083 -8.617 1.00 54.01 C ATOM 355 CD LYS A 20 -3.506 31.371 -9.061 1.00 73.10 C ATOM 356 CE LYS A 20 -1.991 31.264 -8.982 1.00 12.15 C ATOM 357 NZ LYS A 20 -1.383 32.467 -8.350 1.00 3.44 N ATOM 0 H LYS A 20 -6.351 29.093 -6.735 1.00 54.20 H new ATOM 0 HA LYS A 20 -5.851 31.724 -7.446 1.00 64.43 H new ATOM 0 HB2 LYS A 20 -6.055 29.100 -8.918 1.00 23.24 H new ATOM 0 HB3 LYS A 20 -5.861 30.575 -9.844 1.00 23.24 H new ATOM 0 HG2 LYS A 20 -3.992 29.921 -7.555 1.00 54.01 H new ATOM 0 HG3 LYS A 20 -3.740 29.240 -9.150 1.00 54.01 H new ATOM 0 HD2 LYS A 20 -3.803 31.604 -10.084 1.00 73.10 H new ATOM 0 HD3 LYS A 20 -3.847 32.195 -8.435 1.00 73.10 H new ATOM 0 HE2 LYS A 20 -1.719 30.377 -8.411 1.00 12.15 H new ATOM 0 HE3 LYS A 20 -1.583 31.135 -9.985 1.00 12.15 H new ATOM 0 HZ1 LYS A 20 -0.350 32.356 -8.315 1.00 3.44 H new ATOM 0 HZ2 LYS A 20 -1.621 33.311 -8.909 1.00 3.44 H new ATOM 0 HZ3 LYS A 20 -1.753 32.576 -7.384 1.00 3.44 H new ATOM 473 N PHE A 27 -17.855 36.728 -7.593 1.00 72.22 N ATOM 474 CA PHE A 27 -18.526 35.533 -7.093 1.00 42.24 C ATOM 475 C PHE A 27 -19.865 35.889 -6.454 1.00 20.40 C ATOM 476 O PHE A 27 -20.829 35.128 -6.541 1.00 54.24 O ATOM 477 CB PHE A 27 -17.638 34.812 -6.077 1.00 72.32 C ATOM 478 CG PHE A 27 -17.346 33.385 -6.443 1.00 70.51 C ATOM 479 CD1 PHE A 27 -18.302 32.398 -6.258 1.00 45.51 C ATOM 480 CD2 PHE A 27 -16.115 33.029 -6.972 1.00 15.13 C ATOM 481 CE1 PHE A 27 -18.036 31.084 -6.594 1.00 51.21 C ATOM 482 CE2 PHE A 27 -15.845 31.717 -7.310 1.00 25.30 C ATOM 483 CZ PHE A 27 -16.805 30.743 -7.120 1.00 34.12 C ATOM 0 HA PHE A 27 -18.712 34.870 -7.938 1.00 42.24 H new ATOM 0 HB2 PHE A 27 -16.697 35.354 -5.980 1.00 72.32 H new ATOM 0 HB3 PHE A 27 -18.122 34.837 -5.101 1.00 72.32 H new ATOM 0 HD1 PHE A 27 -19.266 32.659 -5.847 1.00 45.51 H new ATOM 0 HD2 PHE A 27 -15.359 33.786 -7.121 1.00 15.13 H new ATOM 0 HE1 PHE A 27 -18.790 30.325 -6.446 1.00 51.21 H new ATOM 0 HE2 PHE A 27 -14.883 31.453 -7.723 1.00 25.30 H new ATOM 0 HZ PHE A 27 -16.594 29.717 -7.382 1.00 34.12 H new ATOM 493 N LYS A 28 -19.917 37.050 -5.810 1.00 24.40 N ATOM 494 CA LYS A 28 -21.136 37.508 -5.155 1.00 51.55 C ATOM 495 C LYS A 28 -22.267 37.674 -6.166 1.00 45.40 C ATOM 496 O LYS A 28 -23.361 37.141 -5.983 1.00 23.44 O ATOM 497 CB LYS A 28 -20.884 38.834 -4.434 1.00 11.32 C ATOM 498 CG LYS A 28 -20.447 38.667 -2.989 1.00 34.23 C ATOM 499 CD LYS A 28 -18.951 38.876 -2.831 1.00 23.32 C ATOM 500 CE LYS A 28 -18.626 40.310 -2.444 1.00 41.53 C ATOM 501 NZ LYS A 28 -18.664 40.510 -0.969 1.00 62.30 N ATOM 0 H LYS A 28 -19.128 37.691 -5.728 1.00 24.40 H new ATOM 0 HA LYS A 28 -21.432 36.755 -4.425 1.00 51.55 H new ATOM 0 HB2 LYS A 28 -20.119 39.392 -4.974 1.00 11.32 H new ATOM 0 HB3 LYS A 28 -21.795 39.432 -4.463 1.00 11.32 H new ATOM 0 HG2 LYS A 28 -20.983 39.379 -2.361 1.00 34.23 H new ATOM 0 HG3 LYS A 28 -20.715 37.670 -2.640 1.00 34.23 H new ATOM 0 HD2 LYS A 28 -18.566 38.197 -2.070 1.00 23.32 H new ATOM 0 HD3 LYS A 28 -18.447 38.627 -3.765 1.00 23.32 H new ATOM 0 HE2 LYS A 28 -17.637 40.572 -2.820 1.00 41.53 H new ATOM 0 HE3 LYS A 28 -19.338 40.985 -2.920 1.00 41.53 H new ATOM 0 HZ1 LYS A 28 -18.437 41.500 -0.747 1.00 62.30 H new ATOM 0 HZ2 LYS A 28 -19.615 40.284 -0.612 1.00 62.30 H new ATOM 0 HZ3 LYS A 28 -17.967 39.885 -0.516 1.00 62.30 H new ATOM 515 N LYS A 29 -21.995 38.417 -7.234 1.00 61.51 N ATOM 516 CA LYS A 29 -22.988 38.651 -8.276 1.00 64.11 C ATOM 517 C LYS A 29 -23.262 37.374 -9.063 1.00 71.43 C ATOM 518 O LYS A 29 -24.415 37.014 -9.299 1.00 52.52 O ATOM 519 CB LYS A 29 -22.512 39.754 -9.224 1.00 3.44 C ATOM 520 CG LYS A 29 -23.532 40.861 -9.430 1.00 61.42 C ATOM 521 CD LYS A 29 -23.045 42.182 -8.860 1.00 22.04 C ATOM 522 CE LYS A 29 -24.160 43.216 -8.818 1.00 24.22 C ATOM 523 NZ LYS A 29 -24.126 44.017 -7.563 1.00 53.00 N ATOM 0 H LYS A 29 -21.095 38.867 -7.400 1.00 61.51 H new ATOM 0 HA LYS A 29 -23.914 38.967 -7.796 1.00 64.11 H new ATOM 0 HB2 LYS A 29 -21.592 40.187 -8.831 1.00 3.44 H new ATOM 0 HB3 LYS A 29 -22.269 39.311 -10.190 1.00 3.44 H new ATOM 0 HG2 LYS A 29 -23.735 40.976 -10.495 1.00 61.42 H new ATOM 0 HG3 LYS A 29 -24.473 40.583 -8.954 1.00 61.42 H new ATOM 0 HD2 LYS A 29 -22.656 42.024 -7.854 1.00 22.04 H new ATOM 0 HD3 LYS A 29 -22.221 42.559 -9.465 1.00 22.04 H new ATOM 0 HE2 LYS A 29 -24.071 43.882 -9.676 1.00 24.22 H new ATOM 0 HE3 LYS A 29 -25.124 42.714 -8.903 1.00 24.22 H new ATOM 0 HZ1 LYS A 29 -24.901 44.710 -7.573 1.00 53.00 H new ATOM 0 HZ2 LYS A 29 -24.237 43.385 -6.745 1.00 53.00 H new ATOM 0 HZ3 LYS A 29 -23.216 44.516 -7.494 1.00 53.00 H new ATOM 537 N ALA A 30 -22.195 36.691 -9.466 1.00 10.31 N ATOM 538 CA ALA A 30 -22.322 35.452 -10.223 1.00 44.33 C ATOM 539 C ALA A 30 -23.155 34.427 -9.463 1.00 31.45 C ATOM 540 O ALA A 30 -24.039 33.785 -10.031 1.00 74.04 O ATOM 541 CB ALA A 30 -20.946 34.886 -10.542 1.00 30.30 C ATOM 0 H ALA A 30 -21.233 36.975 -9.281 1.00 10.31 H new ATOM 0 HA ALA A 30 -22.836 35.677 -11.157 1.00 44.33 H new ATOM 0 HB1 ALA A 30 -21.055 33.961 -11.108 1.00 30.30 H new ATOM 0 HB2 ALA A 30 -20.384 35.608 -11.133 1.00 30.30 H new ATOM 0 HB3 ALA A 30 -20.412 34.683 -9.614 1.00 30.30 H new ATOM 547 N LEU A 31 -22.868 34.276 -8.174 1.00 64.04 N ATOM 548 CA LEU A 31 -23.591 33.327 -7.335 1.00 63.10 C ATOM 549 C LEU A 31 -25.036 33.770 -7.132 1.00 40.41 C ATOM 550 O LEU A 31 -25.972 33.064 -7.506 1.00 32.30 O ATOM 551 CB LEU A 31 -22.895 33.181 -5.980 1.00 71.25 C ATOM 552 CG LEU A 31 -23.525 32.185 -5.006 1.00 71.44 C ATOM 553 CD1 LEU A 31 -23.412 30.767 -5.545 1.00 75.04 C ATOM 554 CD2 LEU A 31 -22.870 32.290 -3.637 1.00 45.22 C ATOM 0 H LEU A 31 -22.140 34.799 -7.688 1.00 64.04 H new ATOM 0 HA LEU A 31 -23.594 32.362 -7.841 1.00 63.10 H new ATOM 0 HB2 LEU A 31 -21.861 32.883 -6.155 1.00 71.25 H new ATOM 0 HB3 LEU A 31 -22.868 34.160 -5.501 1.00 71.25 H new ATOM 0 HG LEU A 31 -24.582 32.429 -4.901 1.00 71.44 H new ATOM 0 HD11 LEU A 31 -23.866 30.072 -4.838 1.00 75.04 H new ATOM 0 HD12 LEU A 31 -23.928 30.700 -6.503 1.00 75.04 H new ATOM 0 HD13 LEU A 31 -22.361 30.512 -5.681 1.00 75.04 H new ATOM 0 HD21 LEU A 31 -23.331 31.574 -2.957 1.00 45.22 H new ATOM 0 HD22 LEU A 31 -21.806 32.073 -3.725 1.00 45.22 H new ATOM 0 HD23 LEU A 31 -23.003 33.299 -3.246 1.00 45.22 H new ATOM 566 N LYS A 32 -25.211 34.947 -6.539 1.00 63.43 N ATOM 567 CA LYS A 32 -26.541 35.488 -6.289 1.00 73.32 C ATOM 568 C LYS A 32 -27.391 35.450 -7.556 1.00 21.14 C ATOM 569 O LYS A 32 -28.459 34.838 -7.580 1.00 50.24 O ATOM 570 CB LYS A 32 -26.441 36.925 -5.772 1.00 71.33 C ATOM 571 CG LYS A 32 -26.130 37.017 -4.288 1.00 74.04 C ATOM 572 CD LYS A 32 -27.397 36.981 -3.450 1.00 53.12 C ATOM 573 CE LYS A 32 -27.141 37.465 -2.031 1.00 64.12 C ATOM 574 NZ LYS A 32 -26.796 38.913 -1.993 1.00 3.11 N ATOM 0 H LYS A 32 -24.447 35.544 -6.223 1.00 63.43 H new ATOM 0 HA LYS A 32 -27.021 34.869 -5.532 1.00 73.32 H new ATOM 0 HB2 LYS A 32 -25.666 37.450 -6.330 1.00 71.33 H new ATOM 0 HB3 LYS A 32 -27.381 37.440 -5.970 1.00 71.33 H new ATOM 0 HG2 LYS A 32 -25.479 36.192 -4.000 1.00 74.04 H new ATOM 0 HG3 LYS A 32 -25.585 37.939 -4.086 1.00 74.04 H new ATOM 0 HD2 LYS A 32 -28.160 37.604 -3.916 1.00 53.12 H new ATOM 0 HD3 LYS A 32 -27.788 35.964 -3.424 1.00 53.12 H new ATOM 0 HE2 LYS A 32 -28.027 37.286 -1.421 1.00 64.12 H new ATOM 0 HE3 LYS A 32 -26.329 36.886 -1.591 1.00 64.12 H new ATOM 0 HZ1 LYS A 32 -26.975 39.288 -1.039 1.00 3.11 H new ATOM 0 HZ2 LYS A 32 -25.791 39.037 -2.231 1.00 3.11 H new ATOM 0 HZ3 LYS A 32 -27.381 39.427 -2.682 1.00 3.11 H new ATOM 588 N PHE A 33 -26.909 36.106 -8.606 1.00 1.32 N ATOM 589 CA PHE A 33 -27.624 36.147 -9.876 1.00 31.01 C ATOM 590 C PHE A 33 -27.906 34.737 -10.387 1.00 43.10 C ATOM 591 O PHE A 33 -29.053 34.376 -10.645 1.00 31.01 O ATOM 592 CB PHE A 33 -26.816 36.927 -10.916 1.00 34.35 C ATOM 593 CG PHE A 33 -27.562 37.167 -12.197 1.00 32.00 C ATOM 594 CD1 PHE A 33 -28.832 37.721 -12.181 1.00 71.04 C ATOM 595 CD2 PHE A 33 -26.993 36.839 -13.417 1.00 51.40 C ATOM 596 CE1 PHE A 33 -29.521 37.942 -13.359 1.00 43.31 C ATOM 597 CE2 PHE A 33 -27.677 37.059 -14.598 1.00 62.12 C ATOM 598 CZ PHE A 33 -28.942 37.612 -14.569 1.00 41.00 C ATOM 0 H PHE A 33 -26.026 36.617 -8.603 1.00 1.32 H new ATOM 0 HA PHE A 33 -28.576 36.652 -9.712 1.00 31.01 H new ATOM 0 HB2 PHE A 33 -26.522 37.887 -10.491 1.00 34.35 H new ATOM 0 HB3 PHE A 33 -25.899 36.381 -11.136 1.00 34.35 H new ATOM 0 HD1 PHE A 33 -29.289 37.983 -11.238 1.00 71.04 H new ATOM 0 HD2 PHE A 33 -26.004 36.407 -13.446 1.00 51.40 H new ATOM 0 HE1 PHE A 33 -30.511 38.372 -13.333 1.00 43.31 H new ATOM 0 HE2 PHE A 33 -27.222 36.799 -15.542 1.00 62.12 H new ATOM 0 HZ PHE A 33 -29.478 37.786 -15.491 1.00 41.00 H new ATOM 608 N GLY A 34 -26.848 33.944 -10.532 1.00 11.14 N ATOM 609 CA GLY A 34 -27.001 32.583 -11.012 1.00 14.32 C ATOM 610 C GLY A 34 -28.035 31.803 -10.224 1.00 10.32 C ATOM 611 O GLY A 34 -28.758 30.977 -10.781 1.00 21.34 O ATOM 0 H GLY A 34 -25.888 34.220 -10.326 1.00 11.14 H new ATOM 0 HA2 GLY A 34 -27.288 32.602 -12.063 1.00 14.32 H new ATOM 0 HA3 GLY A 34 -26.041 32.070 -10.953 1.00 14.32 H new ATOM 615 N LYS A 35 -28.105 32.064 -8.923 1.00 14.41 N ATOM 616 CA LYS A 35 -29.058 31.381 -8.055 1.00 45.13 C ATOM 617 C LYS A 35 -30.488 31.799 -8.381 1.00 3.41 C ATOM 618 O LYS A 35 -31.315 30.971 -8.761 1.00 25.34 O ATOM 619 CB LYS A 35 -28.748 31.682 -6.587 1.00 54.41 C ATOM 620 CG LYS A 35 -29.522 30.813 -5.612 1.00 33.43 C ATOM 621 CD LYS A 35 -28.891 30.826 -4.230 1.00 5.42 C ATOM 622 CE LYS A 35 -29.697 30.001 -3.240 1.00 35.43 C ATOM 623 NZ LYS A 35 -29.752 30.642 -1.897 1.00 3.01 N ATOM 0 H LYS A 35 -27.513 32.744 -8.446 1.00 14.41 H new ATOM 0 HA LYS A 35 -28.965 30.309 -8.227 1.00 45.13 H new ATOM 0 HB2 LYS A 35 -27.680 31.545 -6.414 1.00 54.41 H new ATOM 0 HB3 LYS A 35 -28.972 32.729 -6.384 1.00 54.41 H new ATOM 0 HG2 LYS A 35 -30.551 31.166 -5.546 1.00 33.43 H new ATOM 0 HG3 LYS A 35 -29.560 29.790 -5.986 1.00 33.43 H new ATOM 0 HD2 LYS A 35 -27.875 30.434 -4.289 1.00 5.42 H new ATOM 0 HD3 LYS A 35 -28.816 31.853 -3.873 1.00 5.42 H new ATOM 0 HE2 LYS A 35 -30.710 29.866 -3.620 1.00 35.43 H new ATOM 0 HE3 LYS A 35 -29.256 29.008 -3.151 1.00 35.43 H new ATOM 0 HZ1 LYS A 35 -30.311 30.048 -1.251 1.00 3.01 H new ATOM 0 HZ2 LYS A 35 -28.787 30.748 -1.523 1.00 3.01 H new ATOM 0 HZ3 LYS A 35 -30.197 31.579 -1.977 1.00 3.01 H new ATOM 637 N GLN A 36 -30.771 33.089 -8.231 1.00 41.40 N ATOM 638 CA GLN A 36 -32.101 33.616 -8.510 1.00 54.43 C ATOM 639 C GLN A 36 -32.531 33.283 -9.935 1.00 71.31 C ATOM 640 O GLN A 36 -33.724 33.194 -10.231 1.00 24.15 O ATOM 641 CB GLN A 36 -32.128 35.131 -8.298 1.00 42.15 C ATOM 642 CG GLN A 36 -33.314 35.610 -7.477 1.00 23.13 C ATOM 643 CD GLN A 36 -34.176 36.608 -8.224 1.00 35.24 C ATOM 644 OE1 GLN A 36 -33.697 37.324 -9.103 1.00 14.51 O ATOM 645 NE2 GLN A 36 -35.457 36.660 -7.877 1.00 33.41 N ATOM 0 H GLN A 36 -30.097 33.788 -7.918 1.00 41.40 H new ATOM 0 HA GLN A 36 -32.802 33.147 -7.819 1.00 54.43 H new ATOM 0 HB2 GLN A 36 -31.207 35.436 -7.802 1.00 42.15 H new ATOM 0 HB3 GLN A 36 -32.146 35.625 -9.269 1.00 42.15 H new ATOM 0 HG2 GLN A 36 -33.923 34.752 -7.191 1.00 23.13 H new ATOM 0 HG3 GLN A 36 -32.953 36.066 -6.555 1.00 23.13 H new ATOM 0 HE21 GLN A 36 -35.812 36.048 -7.142 1.00 33.41 H new ATOM 0 HE22 GLN A 36 -36.086 37.312 -8.345 1.00 33.41 H new ATOM 654 N LEU A 37 -31.553 33.099 -10.815 1.00 1.21 N ATOM 655 CA LEU A 37 -31.830 32.775 -12.210 1.00 44.32 C ATOM 656 C LEU A 37 -32.276 31.324 -12.354 1.00 55.10 C ATOM 657 O LEU A 37 -33.331 31.042 -12.922 1.00 50.54 O ATOM 658 CB LEU A 37 -30.588 33.026 -13.068 1.00 54.13 C ATOM 659 CG LEU A 37 -30.843 33.324 -14.546 1.00 71.44 C ATOM 660 CD1 LEU A 37 -30.270 34.681 -14.924 1.00 72.43 C ATOM 661 CD2 LEU A 37 -30.248 32.229 -15.421 1.00 15.32 C ATOM 0 H LEU A 37 -30.561 33.169 -10.587 1.00 1.21 H new ATOM 0 HA LEU A 37 -32.639 33.420 -12.554 1.00 44.32 H new ATOM 0 HB2 LEU A 37 -30.037 33.863 -12.639 1.00 54.13 H new ATOM 0 HB3 LEU A 37 -29.941 32.151 -13.001 1.00 54.13 H new ATOM 0 HG LEU A 37 -31.920 33.349 -14.711 1.00 71.44 H new ATOM 0 HD11 LEU A 37 -30.461 34.875 -15.979 1.00 72.43 H new ATOM 0 HD12 LEU A 37 -30.742 35.456 -14.321 1.00 72.43 H new ATOM 0 HD13 LEU A 37 -29.195 34.685 -14.743 1.00 72.43 H new ATOM 0 HD21 LEU A 37 -30.439 32.457 -16.470 1.00 15.32 H new ATOM 0 HD22 LEU A 37 -29.173 32.172 -15.252 1.00 15.32 H new ATOM 0 HD23 LEU A 37 -30.706 31.273 -15.169 1.00 15.32 H new ATOM 673 N ALA A 38 -31.468 30.407 -11.833 1.00 61.13 N ATOM 674 CA ALA A 38 -31.782 28.985 -11.900 1.00 11.21 C ATOM 675 C ALA A 38 -33.034 28.661 -11.092 1.00 10.12 C ATOM 676 O ALA A 38 -33.745 27.700 -11.387 1.00 51.52 O ATOM 677 CB ALA A 38 -30.603 28.160 -11.404 1.00 55.42 C ATOM 0 H ALA A 38 -30.591 30.623 -11.360 1.00 61.13 H new ATOM 0 HA ALA A 38 -31.977 28.730 -12.942 1.00 11.21 H new ATOM 0 HB1 ALA A 38 -30.852 27.100 -11.460 1.00 55.42 H new ATOM 0 HB2 ALA A 38 -29.731 28.361 -12.026 1.00 55.42 H new ATOM 0 HB3 ALA A 38 -30.381 28.427 -10.371 1.00 55.42 H new ATOM 683 N LYS A 39 -33.298 29.468 -10.070 1.00 11.12 N ATOM 684 CA LYS A 39 -34.465 29.268 -9.218 1.00 43.42 C ATOM 685 C LYS A 39 -35.752 29.569 -9.980 1.00 21.25 C ATOM 686 O LYS A 39 -36.790 28.959 -9.727 1.00 11.44 O ATOM 687 CB LYS A 39 -34.374 30.159 -7.977 1.00 32.11 C ATOM 688 CG LYS A 39 -34.039 29.398 -6.706 1.00 5.22 C ATOM 689 CD LYS A 39 -34.405 30.196 -5.465 1.00 71.35 C ATOM 690 CE LYS A 39 -35.098 29.325 -4.428 1.00 4.51 C ATOM 691 NZ LYS A 39 -34.877 29.830 -3.044 1.00 53.33 N ATOM 0 H LYS A 39 -32.719 30.267 -9.811 1.00 11.12 H new ATOM 0 HA LYS A 39 -34.483 28.223 -8.907 1.00 43.42 H new ATOM 0 HB2 LYS A 39 -33.615 30.923 -8.144 1.00 32.11 H new ATOM 0 HB3 LYS A 39 -35.324 30.677 -7.841 1.00 32.11 H new ATOM 0 HG2 LYS A 39 -34.572 28.447 -6.699 1.00 5.22 H new ATOM 0 HG3 LYS A 39 -32.974 29.166 -6.690 1.00 5.22 H new ATOM 0 HD2 LYS A 39 -33.504 30.632 -5.033 1.00 71.35 H new ATOM 0 HD3 LYS A 39 -35.058 31.023 -5.742 1.00 71.35 H new ATOM 0 HE2 LYS A 39 -36.167 29.293 -4.637 1.00 4.51 H new ATOM 0 HE3 LYS A 39 -34.727 28.303 -4.505 1.00 4.51 H new ATOM 0 HZ1 LYS A 39 -35.365 29.210 -2.366 1.00 53.33 H new ATOM 0 HZ2 LYS A 39 -33.858 29.837 -2.836 1.00 53.33 H new ATOM 0 HZ3 LYS A 39 -35.254 30.796 -2.963 1.00 53.33 H new