USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 396 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 1 LYS N :NH3+ 156:sc= -0.033 (180deg=-0.26) USER MOD Single : A 1 LYS NZ :NH3+ 171:sc= -0.0172 (180deg=-0.0585) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 12 LYS NZ :NH3+ 156:sc= -0.254 (180deg=-1.17) 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+ -110:sc= 0 (180deg=-0.308) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -155:sc=-0.000854 (180deg=-0.398) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -40:sc= 0.238 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.231 K(o=0.23,f=-0.93) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0372 X(o=-0.037,f=-0.22) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.754 K(o=-0.75,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.391 -0.006 -3.271 1.00 41.35 N ATOM 2 CA LYS A 1 3.123 0.191 -4.517 1.00 3.00 C ATOM 3 C LYS A 1 2.317 1.041 -5.494 1.00 1.24 C ATOM 4 O LYS A 1 2.452 0.904 -6.710 1.00 5.34 O ATOM 5 CB LYS A 1 3.457 -1.159 -5.155 1.00 61.30 C ATOM 6 CG LYS A 1 4.730 -1.143 -5.983 1.00 43.41 C ATOM 7 CD LYS A 1 5.961 -1.359 -5.118 1.00 72.13 C ATOM 8 CE LYS A 1 7.030 -0.315 -5.399 1.00 41.50 C ATOM 9 NZ LYS A 1 6.640 1.029 -4.890 1.00 0.33 N ATOM 0 H1 LYS A 1 2.729 -0.871 -2.803 1.00 41.35 H new ATOM 0 H2 LYS A 1 2.546 0.810 -2.645 1.00 41.35 H new ATOM 0 H3 LYS A 1 1.375 -0.098 -3.476 1.00 41.35 H new ATOM 0 HA LYS A 1 4.050 0.716 -4.285 1.00 3.00 H new ATOM 0 HB2 LYS A 1 3.554 -1.908 -4.369 1.00 61.30 H new ATOM 0 HB3 LYS A 1 2.625 -1.467 -5.789 1.00 61.30 H new ATOM 0 HG2 LYS A 1 4.679 -1.920 -6.745 1.00 43.41 H new ATOM 0 HG3 LYS A 1 4.814 -0.190 -6.505 1.00 43.41 H new ATOM 0 HD2 LYS A 1 5.679 -1.319 -4.066 1.00 72.13 H new ATOM 0 HD3 LYS A 1 6.366 -2.354 -5.302 1.00 72.13 H new ATOM 0 HE2 LYS A 1 7.968 -0.621 -4.935 1.00 41.50 H new ATOM 0 HE3 LYS A 1 7.209 -0.259 -6.473 1.00 41.50 H new ATOM 0 HZ1 LYS A 1 7.451 1.676 -4.962 1.00 0.33 H new ATOM 0 HZ2 LYS A 1 5.850 1.399 -5.456 1.00 0.33 H new ATOM 0 HZ3 LYS A 1 6.346 0.952 -3.895 1.00 0.33 H new ATOM 23 N PHE A 2 1.479 1.920 -4.954 1.00 3.32 N ATOM 24 CA PHE A 2 0.652 2.793 -5.778 1.00 53.40 C ATOM 25 C PHE A 2 1.325 4.148 -5.981 1.00 74.33 C ATOM 26 O PHE A 2 2.297 4.479 -5.303 1.00 1.11 O ATOM 27 CB PHE A 2 -0.723 2.986 -5.134 1.00 22.31 C ATOM 28 CG PHE A 2 -1.866 2.697 -6.064 1.00 53.40 C ATOM 29 CD1 PHE A 2 -1.993 1.454 -6.663 1.00 0.31 C ATOM 30 CD2 PHE A 2 -2.815 3.669 -6.339 1.00 41.11 C ATOM 31 CE1 PHE A 2 -3.044 1.187 -7.520 1.00 22.22 C ATOM 32 CE2 PHE A 2 -3.868 3.407 -7.195 1.00 13.21 C ATOM 33 CZ PHE A 2 -3.983 2.164 -7.785 1.00 73.01 C ATOM 0 H PHE A 2 1.355 2.046 -3.949 1.00 3.32 H new ATOM 0 HA PHE A 2 0.527 2.319 -6.752 1.00 53.40 H new ATOM 0 HB2 PHE A 2 -0.801 2.337 -4.262 1.00 22.31 H new ATOM 0 HB3 PHE A 2 -0.807 4.012 -4.776 1.00 22.31 H new ATOM 0 HD1 PHE A 2 -1.263 0.685 -6.458 1.00 0.31 H new ATOM 0 HD2 PHE A 2 -2.731 4.642 -5.879 1.00 41.11 H new ATOM 0 HE1 PHE A 2 -3.131 0.215 -7.982 1.00 22.22 H new ATOM 0 HE2 PHE A 2 -4.600 4.174 -7.402 1.00 13.21 H new ATOM 0 HZ PHE A 2 -4.806 1.956 -8.453 1.00 73.01 H new ATOM 43 N LYS A 3 0.800 4.927 -6.921 1.00 0.11 N ATOM 44 CA LYS A 3 1.347 6.246 -7.215 1.00 45.11 C ATOM 45 C LYS A 3 0.987 7.242 -6.117 1.00 64.12 C ATOM 46 O LYS A 3 -0.076 7.861 -6.152 1.00 60.15 O ATOM 47 CB LYS A 3 0.827 6.748 -8.564 1.00 30.30 C ATOM 48 CG LYS A 3 1.724 6.386 -9.735 1.00 5.22 C ATOM 49 CD LYS A 3 2.798 7.438 -9.960 1.00 23.54 C ATOM 50 CE LYS A 3 3.754 7.029 -11.070 1.00 50.43 C ATOM 51 NZ LYS A 3 5.112 6.716 -10.546 1.00 61.02 N ATOM 0 H LYS A 3 -0.004 4.667 -7.492 1.00 0.11 H new ATOM 0 HA LYS A 3 2.433 6.159 -7.261 1.00 45.11 H new ATOM 0 HB2 LYS A 3 -0.167 6.335 -8.737 1.00 30.30 H new ATOM 0 HB3 LYS A 3 0.719 7.832 -8.522 1.00 30.30 H new ATOM 0 HG2 LYS A 3 2.193 5.420 -9.550 1.00 5.22 H new ATOM 0 HG3 LYS A 3 1.122 6.281 -10.637 1.00 5.22 H new ATOM 0 HD2 LYS A 3 2.330 8.389 -10.214 1.00 23.54 H new ATOM 0 HD3 LYS A 3 3.356 7.593 -9.037 1.00 23.54 H new ATOM 0 HE2 LYS A 3 3.356 6.157 -11.589 1.00 50.43 H new ATOM 0 HE3 LYS A 3 3.824 7.833 -11.803 1.00 50.43 H new ATOM 0 HZ1 LYS A 3 5.733 6.442 -11.334 1.00 61.02 H new ATOM 0 HZ2 LYS A 3 5.503 7.555 -10.072 1.00 61.02 H new ATOM 0 HZ3 LYS A 3 5.049 5.932 -9.865 1.00 61.02 H new ATOM 65 N TRP A 4 1.880 7.392 -5.145 1.00 71.23 N ATOM 66 CA TRP A 4 1.656 8.314 -4.038 1.00 10.31 C ATOM 67 C TRP A 4 1.545 9.750 -4.539 1.00 63.11 C ATOM 68 O TRP A 4 0.747 10.535 -4.030 1.00 52.31 O ATOM 69 CB TRP A 4 2.790 8.203 -3.017 1.00 51.34 C ATOM 70 CG TRP A 4 2.437 8.765 -1.674 1.00 12.14 C ATOM 71 CD1 TRP A 4 3.106 9.741 -0.992 1.00 14.40 C ATOM 72 CD2 TRP A 4 1.331 8.382 -0.848 1.00 41.54 C ATOM 73 NE1 TRP A 4 2.482 9.989 0.207 1.00 22.23 N ATOM 74 CE2 TRP A 4 1.391 9.169 0.319 1.00 73.21 C ATOM 75 CE3 TRP A 4 0.295 7.454 -0.983 1.00 25.13 C ATOM 76 CZ2 TRP A 4 0.455 9.052 1.343 1.00 11.02 C ATOM 77 CZ3 TRP A 4 -0.632 7.339 0.035 1.00 52.00 C ATOM 78 CH2 TRP A 4 -0.548 8.135 1.185 1.00 32.23 C ATOM 0 H TRP A 4 2.765 6.887 -5.101 1.00 71.23 H new ATOM 0 HA TRP A 4 0.716 8.043 -3.557 1.00 10.31 H new ATOM 0 HB2 TRP A 4 3.065 7.155 -2.903 1.00 51.34 H new ATOM 0 HB3 TRP A 4 3.667 8.723 -3.401 1.00 51.34 H new ATOM 0 HD1 TRP A 4 3.995 10.244 -1.343 1.00 14.40 H new ATOM 0 HE1 TRP A 4 2.783 10.673 0.901 1.00 22.23 H new ATOM 0 HE3 TRP A 4 0.220 6.838 -1.867 1.00 25.13 H new ATOM 0 HZ2 TRP A 4 0.518 9.664 2.231 1.00 11.02 H new ATOM 0 HZ3 TRP A 4 -1.435 6.623 -0.057 1.00 52.00 H new ATOM 0 HH2 TRP A 4 -1.290 8.022 1.962 1.00 32.23 H new ATOM 89 N GLY A 5 2.352 10.087 -5.541 1.00 22.40 N ATOM 90 CA GLY A 5 2.328 11.428 -6.094 1.00 3.10 C ATOM 91 C GLY A 5 0.951 11.828 -6.585 1.00 43.24 C ATOM 92 O GLY A 5 0.562 12.992 -6.486 1.00 71.01 O ATOM 0 H GLY A 5 3.022 9.455 -5.979 1.00 22.40 H new ATOM 0 HA2 GLY A 5 2.660 12.137 -5.335 1.00 3.10 H new ATOM 0 HA3 GLY A 5 3.037 11.490 -6.920 1.00 3.10 H new ATOM 96 N LYS A 6 0.212 10.862 -7.119 1.00 55.11 N ATOM 97 CA LYS A 6 -1.130 11.118 -7.629 1.00 12.20 C ATOM 98 C LYS A 6 -2.036 11.660 -6.528 1.00 53.32 C ATOM 99 O LYS A 6 -2.634 12.728 -6.672 1.00 33.44 O ATOM 100 CB LYS A 6 -1.730 9.837 -8.213 1.00 24.35 C ATOM 101 CG LYS A 6 -2.585 10.072 -9.446 1.00 23.34 C ATOM 102 CD LYS A 6 -2.648 8.834 -10.324 1.00 72.25 C ATOM 103 CE LYS A 6 -3.672 7.835 -9.807 1.00 60.02 C ATOM 104 NZ LYS A 6 -5.029 8.092 -10.365 1.00 24.00 N ATOM 0 H LYS A 6 0.520 9.894 -7.210 1.00 55.11 H new ATOM 0 HA LYS A 6 -1.055 11.868 -8.416 1.00 12.20 H new ATOM 0 HB2 LYS A 6 -0.922 9.151 -8.467 1.00 24.35 H new ATOM 0 HB3 LYS A 6 -2.335 9.348 -7.449 1.00 24.35 H new ATOM 0 HG2 LYS A 6 -3.593 10.356 -9.143 1.00 23.34 H new ATOM 0 HG3 LYS A 6 -2.178 10.905 -10.019 1.00 23.34 H new ATOM 0 HD2 LYS A 6 -2.903 9.123 -11.344 1.00 72.25 H new ATOM 0 HD3 LYS A 6 -1.666 8.363 -10.362 1.00 72.25 H new ATOM 0 HE2 LYS A 6 -3.357 6.825 -10.068 1.00 60.02 H new ATOM 0 HE3 LYS A 6 -3.711 7.885 -8.719 1.00 60.02 H new ATOM 0 HZ1 LYS A 6 -5.698 7.390 -9.989 1.00 24.00 H new ATOM 0 HZ2 LYS A 6 -5.340 9.047 -10.095 1.00 24.00 H new ATOM 0 HZ3 LYS A 6 -4.998 8.019 -11.402 1.00 24.00 H new ATOM 118 N LEU A 7 -2.133 10.920 -5.429 1.00 64.15 N ATOM 119 CA LEU A 7 -2.965 11.327 -4.303 1.00 1.32 C ATOM 120 C LEU A 7 -2.455 12.629 -3.692 1.00 32.32 C ATOM 121 O LEU A 7 -3.240 13.502 -3.322 1.00 1.32 O ATOM 122 CB LEU A 7 -2.992 10.228 -3.240 1.00 32.24 C ATOM 123 CG LEU A 7 -4.376 9.815 -2.736 1.00 42.22 C ATOM 124 CD1 LEU A 7 -4.331 8.419 -2.135 1.00 63.02 C ATOM 125 CD2 LEU A 7 -4.894 10.820 -1.717 1.00 72.15 C ATOM 0 H LEU A 7 -1.645 10.034 -5.294 1.00 64.15 H new ATOM 0 HA LEU A 7 -3.977 11.492 -4.672 1.00 1.32 H new ATOM 0 HB2 LEU A 7 -2.497 9.346 -3.646 1.00 32.24 H new ATOM 0 HB3 LEU A 7 -2.401 10.561 -2.387 1.00 32.24 H new ATOM 0 HG LEU A 7 -5.061 9.801 -3.584 1.00 42.22 H new ATOM 0 HD11 LEU A 7 -5.325 8.143 -1.782 1.00 63.02 H new ATOM 0 HD12 LEU A 7 -4.004 7.707 -2.893 1.00 63.02 H new ATOM 0 HD13 LEU A 7 -3.632 8.405 -1.299 1.00 63.02 H new ATOM 0 HD21 LEU A 7 -5.880 10.510 -1.369 1.00 72.15 H new ATOM 0 HD22 LEU A 7 -4.209 10.866 -0.871 1.00 72.15 H new ATOM 0 HD23 LEU A 7 -4.965 11.804 -2.180 1.00 72.15 H new ATOM 137 N PHE A 8 -1.136 12.752 -3.591 1.00 1.11 N ATOM 138 CA PHE A 8 -0.521 13.948 -3.026 1.00 62.41 C ATOM 139 C PHE A 8 -0.911 15.189 -3.824 1.00 32.44 C ATOM 140 O PHE A 8 -1.468 16.141 -3.277 1.00 71.24 O ATOM 141 CB PHE A 8 1.002 13.801 -3.003 1.00 20.14 C ATOM 142 CG PHE A 8 1.613 14.104 -1.664 1.00 72.13 C ATOM 143 CD1 PHE A 8 1.193 13.432 -0.528 1.00 35.30 C ATOM 144 CD2 PHE A 8 2.608 15.061 -1.543 1.00 34.44 C ATOM 145 CE1 PHE A 8 1.752 13.709 0.705 1.00 44.33 C ATOM 146 CE2 PHE A 8 3.172 15.342 -0.313 1.00 14.35 C ATOM 147 CZ PHE A 8 2.744 14.665 0.812 1.00 30.24 C ATOM 0 H PHE A 8 -0.472 12.039 -3.893 1.00 1.11 H new ATOM 0 HA PHE A 8 -0.884 14.065 -2.005 1.00 62.41 H new ATOM 0 HB2 PHE A 8 1.265 12.783 -3.292 1.00 20.14 H new ATOM 0 HB3 PHE A 8 1.435 14.466 -3.750 1.00 20.14 H new ATOM 0 HD1 PHE A 8 0.419 12.683 -0.607 1.00 35.30 H new ATOM 0 HD2 PHE A 8 2.946 15.593 -2.420 1.00 34.44 H new ATOM 0 HE1 PHE A 8 1.414 13.179 1.583 1.00 44.33 H new ATOM 0 HE2 PHE A 8 3.947 16.090 -0.232 1.00 14.35 H new ATOM 0 HZ PHE A 8 3.184 14.882 1.774 1.00 30.24 H new ATOM 157 N SER A 9 -0.614 15.170 -5.119 1.00 71.10 N ATOM 158 CA SER A 9 -0.929 16.295 -5.992 1.00 34.31 C ATOM 159 C SER A 9 -2.428 16.583 -5.987 1.00 24.21 C ATOM 160 O SER A 9 -2.852 17.728 -5.826 1.00 22.32 O ATOM 161 CB SER A 9 -0.458 16.008 -7.419 1.00 35.31 C ATOM 162 OG SER A 9 0.189 17.137 -7.979 1.00 52.11 O ATOM 0 H SER A 9 -0.156 14.388 -5.587 1.00 71.10 H new ATOM 0 HA SER A 9 -0.406 17.174 -5.615 1.00 34.31 H new ATOM 0 HB2 SER A 9 0.224 15.158 -7.416 1.00 35.31 H new ATOM 0 HB3 SER A 9 -1.311 15.730 -8.038 1.00 35.31 H new ATOM 0 HG SER A 9 0.482 16.927 -8.890 1.00 52.11 H new ATOM 168 N THR A 10 -3.226 15.535 -6.165 1.00 31.22 N ATOM 169 CA THR A 10 -4.677 15.673 -6.182 1.00 42.53 C ATOM 170 C THR A 10 -5.184 16.306 -4.892 1.00 12.42 C ATOM 171 O THR A 10 -5.994 17.232 -4.920 1.00 52.42 O ATOM 172 CB THR A 10 -5.369 14.312 -6.380 1.00 21.44 C ATOM 173 OG1 THR A 10 -4.938 13.716 -7.609 1.00 1.44 O ATOM 174 CG2 THR A 10 -6.882 14.470 -6.390 1.00 41.02 C ATOM 0 H THR A 10 -2.892 14.581 -6.300 1.00 31.22 H new ATOM 0 HA THR A 10 -4.923 16.322 -7.023 1.00 42.53 H new ATOM 0 HB THR A 10 -5.093 13.665 -5.547 1.00 21.44 H new ATOM 0 HG1 THR A 10 -4.146 13.162 -7.444 1.00 1.44 H new ATOM 0 HG21 THR A 10 -7.349 13.495 -6.531 1.00 41.02 H new ATOM 0 HG22 THR A 10 -7.210 14.895 -5.441 1.00 41.02 H new ATOM 0 HG23 THR A 10 -7.173 15.133 -7.205 1.00 41.02 H new ATOM 182 N ALA A 11 -4.702 15.801 -3.761 1.00 11.30 N ATOM 183 CA ALA A 11 -5.105 16.320 -2.460 1.00 33.33 C ATOM 184 C ALA A 11 -4.792 17.807 -2.340 1.00 43.33 C ATOM 185 O ALA A 11 -5.674 18.618 -2.058 1.00 32.12 O ATOM 186 CB ALA A 11 -4.419 15.543 -1.346 1.00 62.42 C ATOM 0 H ALA A 11 -4.032 15.033 -3.720 1.00 11.30 H new ATOM 0 HA ALA A 11 -6.184 16.194 -2.365 1.00 33.33 H new ATOM 0 HB1 ALA A 11 -4.729 15.941 -0.380 1.00 62.42 H new ATOM 0 HB2 ALA A 11 -4.698 14.491 -1.411 1.00 62.42 H new ATOM 0 HB3 ALA A 11 -3.338 15.639 -1.448 1.00 62.42 H new ATOM 192 N LYS A 12 -3.529 18.160 -2.556 1.00 50.23 N ATOM 193 CA LYS A 12 -3.098 19.551 -2.474 1.00 22.44 C ATOM 194 C LYS A 12 -3.953 20.440 -3.371 1.00 64.42 C ATOM 195 O LYS A 12 -4.398 21.511 -2.959 1.00 63.00 O ATOM 196 CB LYS A 12 -1.625 19.674 -2.870 1.00 22.41 C ATOM 197 CG LYS A 12 -0.883 20.768 -2.122 1.00 20.44 C ATOM 198 CD LYS A 12 0.266 21.326 -2.945 1.00 33.13 C ATOM 199 CE LYS A 12 1.557 20.563 -2.690 1.00 14.14 C ATOM 200 NZ LYS A 12 1.434 19.126 -3.061 1.00 3.13 N ATOM 0 H LYS A 12 -2.786 17.502 -2.789 1.00 50.23 H new ATOM 0 HA LYS A 12 -3.220 19.883 -1.443 1.00 22.44 H new ATOM 0 HB2 LYS A 12 -1.128 18.721 -2.689 1.00 22.41 H new ATOM 0 HB3 LYS A 12 -1.560 19.869 -3.940 1.00 22.41 H new ATOM 0 HG2 LYS A 12 -1.575 21.572 -1.870 1.00 20.44 H new ATOM 0 HG3 LYS A 12 -0.499 20.371 -1.182 1.00 20.44 H new ATOM 0 HD2 LYS A 12 0.015 21.274 -4.004 1.00 33.13 H new ATOM 0 HD3 LYS A 12 0.411 22.379 -2.703 1.00 33.13 H new ATOM 0 HE2 LYS A 12 2.366 21.018 -3.261 1.00 14.14 H new ATOM 0 HE3 LYS A 12 1.825 20.645 -1.637 1.00 14.14 H new ATOM 0 HZ1 LYS A 12 2.377 18.738 -3.266 1.00 3.13 H new ATOM 0 HZ2 LYS A 12 1.007 18.599 -2.272 1.00 3.13 H new ATOM 0 HZ3 LYS A 12 0.832 19.035 -3.904 1.00 3.13 H new ATOM 214 N LYS A 13 -4.180 19.988 -4.600 1.00 21.11 N ATOM 215 CA LYS A 13 -4.984 20.740 -5.556 1.00 2.33 C ATOM 216 C LYS A 13 -6.411 20.915 -5.047 1.00 52.53 C ATOM 217 O LYS A 13 -6.921 22.034 -4.971 1.00 51.22 O ATOM 218 CB LYS A 13 -4.998 20.031 -6.912 1.00 24.13 C ATOM 219 CG LYS A 13 -4.411 20.862 -8.039 1.00 44.41 C ATOM 220 CD LYS A 13 -2.893 20.788 -8.055 1.00 70.33 C ATOM 221 CE LYS A 13 -2.326 21.262 -9.385 1.00 22.34 C ATOM 222 NZ LYS A 13 -1.049 22.008 -9.208 1.00 71.25 N ATOM 0 H LYS A 13 -3.818 19.104 -4.957 1.00 21.11 H new ATOM 0 HA LYS A 13 -4.535 21.726 -5.674 1.00 2.33 H new ATOM 0 HB2 LYS A 13 -4.440 19.098 -6.831 1.00 24.13 H new ATOM 0 HB3 LYS A 13 -6.025 19.767 -7.164 1.00 24.13 H new ATOM 0 HG2 LYS A 13 -4.803 20.511 -8.993 1.00 44.41 H new ATOM 0 HG3 LYS A 13 -4.724 21.900 -7.928 1.00 44.41 H new ATOM 0 HD2 LYS A 13 -2.489 21.399 -7.248 1.00 70.33 H new ATOM 0 HD3 LYS A 13 -2.576 19.762 -7.868 1.00 70.33 H new ATOM 0 HE2 LYS A 13 -2.158 20.403 -10.035 1.00 22.34 H new ATOM 0 HE3 LYS A 13 -3.054 21.902 -9.883 1.00 22.34 H new ATOM 0 HZ1 LYS A 13 -0.694 22.314 -10.136 1.00 71.25 H new ATOM 0 HZ2 LYS A 13 -1.214 22.841 -8.608 1.00 71.25 H new ATOM 0 HZ3 LYS A 13 -0.346 21.390 -8.756 1.00 71.25 H new ATOM 236 N LEU A 14 -7.051 19.804 -4.699 1.00 3.50 N ATOM 237 CA LEU A 14 -8.420 19.835 -4.196 1.00 4.53 C ATOM 238 C LEU A 14 -8.554 20.827 -3.044 1.00 72.04 C ATOM 239 O LEU A 14 -9.546 21.551 -2.948 1.00 24.33 O ATOM 240 CB LEU A 14 -8.846 18.441 -3.735 1.00 32.40 C ATOM 241 CG LEU A 14 -9.867 17.724 -4.620 1.00 42.31 C ATOM 242 CD1 LEU A 14 -10.050 16.285 -4.166 1.00 35.25 C ATOM 243 CD2 LEU A 14 -11.197 18.464 -4.606 1.00 62.33 C ATOM 0 H LEU A 14 -6.644 18.871 -4.756 1.00 3.50 H new ATOM 0 HA LEU A 14 -9.072 20.158 -5.007 1.00 4.53 H new ATOM 0 HB2 LEU A 14 -7.956 17.816 -3.663 1.00 32.40 H new ATOM 0 HB3 LEU A 14 -9.260 18.523 -2.730 1.00 32.40 H new ATOM 0 HG LEU A 14 -9.490 17.715 -5.643 1.00 42.31 H new ATOM 0 HD11 LEU A 14 -10.780 15.791 -4.807 1.00 35.25 H new ATOM 0 HD12 LEU A 14 -9.097 15.760 -4.229 1.00 35.25 H new ATOM 0 HD13 LEU A 14 -10.404 16.271 -3.135 1.00 35.25 H new ATOM 0 HD21 LEU A 14 -11.912 17.940 -5.241 1.00 62.33 H new ATOM 0 HD22 LEU A 14 -11.580 18.505 -3.586 1.00 62.33 H new ATOM 0 HD23 LEU A 14 -11.053 19.477 -4.981 1.00 62.33 H new ATOM 255 N TYR A 15 -7.550 20.856 -2.175 1.00 51.03 N ATOM 256 CA TYR A 15 -7.556 21.759 -1.030 1.00 72.33 C ATOM 257 C TYR A 15 -7.366 23.205 -1.476 1.00 51.40 C ATOM 258 O TYR A 15 -8.256 24.041 -1.312 1.00 23.42 O ATOM 259 CB TYR A 15 -6.456 21.369 -0.041 1.00 51.34 C ATOM 260 CG TYR A 15 -6.334 22.315 1.132 1.00 40.32 C ATOM 261 CD1 TYR A 15 -5.577 23.477 1.037 1.00 72.22 C ATOM 262 CD2 TYR A 15 -6.974 22.047 2.335 1.00 12.44 C ATOM 263 CE1 TYR A 15 -5.462 24.344 2.106 1.00 31.22 C ATOM 264 CE2 TYR A 15 -6.866 22.909 3.409 1.00 1.34 C ATOM 265 CZ TYR A 15 -6.109 24.056 3.290 1.00 24.01 C ATOM 266 OH TYR A 15 -5.997 24.916 4.358 1.00 11.41 O ATOM 0 H TYR A 15 -6.722 20.265 -2.241 1.00 51.03 H new ATOM 0 HA TYR A 15 -8.525 21.674 -0.537 1.00 72.33 H new ATOM 0 HB2 TYR A 15 -6.654 20.364 0.332 1.00 51.34 H new ATOM 0 HB3 TYR A 15 -5.502 21.331 -0.567 1.00 51.34 H new ATOM 0 HD1 TYR A 15 -5.070 23.706 0.111 1.00 72.22 H new ATOM 0 HD2 TYR A 15 -7.566 21.149 2.433 1.00 12.44 H new ATOM 0 HE1 TYR A 15 -4.869 25.242 2.016 1.00 31.22 H new ATOM 0 HE2 TYR A 15 -7.372 22.686 4.337 1.00 1.34 H new ATOM 0 HH TYR A 15 -6.514 24.568 5.114 1.00 11.41 H new ATOM 276 N LYS A 16 -6.199 23.495 -2.042 1.00 74.41 N ATOM 277 CA LYS A 16 -5.890 24.839 -2.515 1.00 20.23 C ATOM 278 C LYS A 16 -7.031 25.394 -3.361 1.00 13.35 C ATOM 279 O LYS A 16 -7.610 26.431 -3.037 1.00 14.45 O ATOM 280 CB LYS A 16 -4.595 24.830 -3.330 1.00 23.44 C ATOM 281 CG LYS A 16 -3.484 25.664 -2.716 1.00 22.35 C ATOM 282 CD LYS A 16 -2.210 24.854 -2.541 1.00 21.11 C ATOM 283 CE LYS A 16 -0.978 25.746 -2.537 1.00 13.43 C ATOM 284 NZ LYS A 16 0.115 25.179 -1.700 1.00 62.22 N ATOM 0 H LYS A 16 -5.451 22.816 -2.184 1.00 74.41 H new ATOM 0 HA LYS A 16 -5.760 25.482 -1.645 1.00 20.23 H new ATOM 0 HB2 LYS A 16 -4.250 23.802 -3.436 1.00 23.44 H new ATOM 0 HB3 LYS A 16 -4.804 25.201 -4.333 1.00 23.44 H new ATOM 0 HG2 LYS A 16 -3.283 26.527 -3.350 1.00 22.35 H new ATOM 0 HG3 LYS A 16 -3.808 26.048 -1.749 1.00 22.35 H new ATOM 0 HD2 LYS A 16 -2.259 24.295 -1.607 1.00 21.11 H new ATOM 0 HD3 LYS A 16 -2.129 24.123 -3.346 1.00 21.11 H new ATOM 0 HE2 LYS A 16 -0.622 25.878 -3.559 1.00 13.43 H new ATOM 0 HE3 LYS A 16 -1.246 26.734 -2.163 1.00 13.43 H new ATOM 0 HZ1 LYS A 16 0.235 25.760 -0.846 1.00 62.22 H new ATOM 0 HZ2 LYS A 16 -0.127 24.206 -1.425 1.00 62.22 H new ATOM 0 HZ3 LYS A 16 1.002 25.175 -2.243 1.00 62.22 H new ATOM 298 N LYS A 17 -7.351 24.697 -4.445 1.00 51.25 N ATOM 299 CA LYS A 17 -8.425 25.118 -5.337 1.00 51.41 C ATOM 300 C LYS A 17 -9.770 25.094 -4.618 1.00 52.21 C ATOM 301 O LYS A 17 -10.633 25.935 -4.866 1.00 41.34 O ATOM 302 CB LYS A 17 -8.477 24.213 -6.570 1.00 33.34 C ATOM 303 CG LYS A 17 -7.282 24.373 -7.493 1.00 72.12 C ATOM 304 CD LYS A 17 -7.684 24.242 -8.953 1.00 1.12 C ATOM 305 CE LYS A 17 -7.846 25.604 -9.610 1.00 72.14 C ATOM 306 NZ LYS A 17 -8.460 25.497 -10.963 1.00 15.12 N ATOM 0 H LYS A 17 -6.882 23.837 -4.728 1.00 51.25 H new ATOM 0 HA LYS A 17 -8.220 26.141 -5.654 1.00 51.41 H new ATOM 0 HB2 LYS A 17 -8.538 23.174 -6.245 1.00 33.34 H new ATOM 0 HB3 LYS A 17 -9.388 24.427 -7.129 1.00 33.34 H new ATOM 0 HG2 LYS A 17 -6.821 25.347 -7.327 1.00 72.12 H new ATOM 0 HG3 LYS A 17 -6.532 23.620 -7.252 1.00 72.12 H new ATOM 0 HD2 LYS A 17 -6.930 23.666 -9.489 1.00 1.12 H new ATOM 0 HD3 LYS A 17 -8.620 23.688 -9.026 1.00 1.12 H new ATOM 0 HE2 LYS A 17 -8.466 26.240 -8.979 1.00 72.14 H new ATOM 0 HE3 LYS A 17 -6.872 26.087 -9.690 1.00 72.14 H new ATOM 0 HZ1 LYS A 17 -8.554 26.446 -11.378 1.00 15.12 H new ATOM 0 HZ2 LYS A 17 -7.855 24.911 -11.573 1.00 15.12 H new ATOM 0 HZ3 LYS A 17 -9.400 25.059 -10.884 1.00 15.12 H new ATOM 320 N GLY A 18 -9.941 24.125 -3.724 1.00 72.33 N ATOM 321 CA GLY A 18 -11.183 24.010 -2.982 1.00 51.53 C ATOM 322 C GLY A 18 -11.578 25.310 -2.309 1.00 23.11 C ATOM 323 O GLY A 18 -12.719 25.757 -2.425 1.00 31.21 O ATOM 0 H GLY A 18 -9.241 23.417 -3.500 1.00 72.33 H new ATOM 0 HA2 GLY A 18 -11.979 23.698 -3.658 1.00 51.53 H new ATOM 0 HA3 GLY A 18 -11.081 23.230 -2.227 1.00 51.53 H new ATOM 327 N LYS A 19 -10.632 25.918 -1.601 1.00 13.50 N ATOM 328 CA LYS A 19 -10.886 27.174 -0.905 1.00 42.52 C ATOM 329 C LYS A 19 -10.637 28.366 -1.825 1.00 34.31 C ATOM 330 O LYS A 19 -11.394 29.337 -1.819 1.00 35.41 O ATOM 331 CB LYS A 19 -9.998 27.282 0.337 1.00 60.43 C ATOM 332 CG LYS A 19 -10.446 26.392 1.483 1.00 21.42 C ATOM 333 CD LYS A 19 -9.946 24.967 1.312 1.00 43.14 C ATOM 334 CE LYS A 19 -11.010 23.952 1.699 1.00 12.22 C ATOM 335 NZ LYS A 19 -11.604 24.252 3.031 1.00 0.44 N ATOM 0 H LYS A 19 -9.682 25.561 -1.494 1.00 13.50 H new ATOM 0 HA LYS A 19 -11.932 27.185 -0.599 1.00 42.52 H new ATOM 0 HB2 LYS A 19 -8.975 27.023 0.065 1.00 60.43 H new ATOM 0 HB3 LYS A 19 -9.986 28.318 0.676 1.00 60.43 H new ATOM 0 HG2 LYS A 19 -10.077 26.797 2.425 1.00 21.42 H new ATOM 0 HG3 LYS A 19 -11.534 26.392 1.541 1.00 21.42 H new ATOM 0 HD2 LYS A 19 -9.649 24.807 0.276 1.00 43.14 H new ATOM 0 HD3 LYS A 19 -9.058 24.816 1.925 1.00 43.14 H new ATOM 0 HE2 LYS A 19 -11.796 23.944 0.944 1.00 12.22 H new ATOM 0 HE3 LYS A 19 -10.572 22.954 1.713 1.00 12.22 H new ATOM 0 HZ1 LYS A 19 -11.981 23.377 3.448 1.00 0.44 H new ATOM 0 HZ2 LYS A 19 -10.873 24.647 3.656 1.00 0.44 H new ATOM 0 HZ3 LYS A 19 -12.374 24.942 2.920 1.00 0.44 H new ATOM 349 N LYS A 20 -9.573 28.285 -2.616 1.00 21.21 N ATOM 350 CA LYS A 20 -9.225 29.354 -3.544 1.00 15.42 C ATOM 351 C LYS A 20 -10.423 29.735 -4.408 1.00 52.31 C ATOM 352 O LYS A 20 -10.619 30.907 -4.734 1.00 31.00 O ATOM 353 CB LYS A 20 -8.057 28.926 -4.434 1.00 23.21 C ATOM 354 CG LYS A 20 -6.699 29.077 -3.770 1.00 31.13 C ATOM 355 CD LYS A 20 -5.995 30.346 -4.221 1.00 74.42 C ATOM 356 CE LYS A 20 -6.592 31.579 -3.560 1.00 43.04 C ATOM 357 NZ LYS A 20 -5.538 32.504 -3.060 1.00 43.51 N ATOM 0 H LYS A 20 -8.936 27.489 -2.633 1.00 21.21 H new ATOM 0 HA LYS A 20 -8.928 30.225 -2.960 1.00 15.42 H new ATOM 0 HB2 LYS A 20 -8.196 27.885 -4.725 1.00 23.21 H new ATOM 0 HB3 LYS A 20 -8.072 29.518 -5.349 1.00 23.21 H new ATOM 0 HG2 LYS A 20 -6.822 29.094 -2.687 1.00 31.13 H new ATOM 0 HG3 LYS A 20 -6.079 28.212 -4.007 1.00 31.13 H new ATOM 0 HD2 LYS A 20 -4.934 30.280 -3.980 1.00 74.42 H new ATOM 0 HD3 LYS A 20 -6.070 30.440 -5.304 1.00 74.42 H new ATOM 0 HE2 LYS A 20 -7.226 32.103 -4.275 1.00 43.04 H new ATOM 0 HE3 LYS A 20 -7.231 31.274 -2.731 1.00 43.04 H new ATOM 0 HZ1 LYS A 20 -5.985 33.332 -2.616 1.00 43.51 H new ATOM 0 HZ2 LYS A 20 -4.948 32.012 -2.359 1.00 43.51 H new ATOM 0 HZ3 LYS A 20 -4.944 32.816 -3.855 1.00 43.51 H new ATOM 371 N LEU A 21 -11.223 28.740 -4.775 1.00 65.21 N ATOM 372 CA LEU A 21 -12.403 28.971 -5.601 1.00 21.15 C ATOM 373 C LEU A 21 -13.610 29.324 -4.738 1.00 32.13 C ATOM 374 O LEU A 21 -14.577 29.917 -5.217 1.00 65.44 O ATOM 375 CB LEU A 21 -12.710 27.733 -6.445 1.00 24.44 C ATOM 376 CG LEU A 21 -11.947 27.614 -7.764 1.00 45.04 C ATOM 377 CD1 LEU A 21 -12.384 28.702 -8.733 1.00 65.22 C ATOM 378 CD2 LEU A 21 -10.446 27.685 -7.521 1.00 50.31 C ATOM 0 H LEU A 21 -11.076 27.765 -4.514 1.00 65.21 H new ATOM 0 HA LEU A 21 -12.194 29.811 -6.263 1.00 21.15 H new ATOM 0 HB2 LEU A 21 -12.499 26.848 -5.845 1.00 24.44 H new ATOM 0 HB3 LEU A 21 -13.778 27.723 -6.664 1.00 24.44 H new ATOM 0 HG LEU A 21 -12.177 26.646 -8.209 1.00 45.04 H new ATOM 0 HD11 LEU A 21 -11.830 28.602 -9.667 1.00 65.22 H new ATOM 0 HD12 LEU A 21 -13.451 28.605 -8.932 1.00 65.22 H new ATOM 0 HD13 LEU A 21 -12.184 29.680 -8.296 1.00 65.22 H new ATOM 0 HD21 LEU A 21 -9.919 27.599 -8.471 1.00 50.31 H new ATOM 0 HD22 LEU A 21 -10.198 28.638 -7.054 1.00 50.31 H new ATOM 0 HD23 LEU A 21 -10.145 26.869 -6.864 1.00 50.31 H new ATOM 390 N SER A 22 -13.547 28.957 -3.462 1.00 5.54 N ATOM 391 CA SER A 22 -14.635 29.234 -2.532 1.00 11.14 C ATOM 392 C SER A 22 -14.532 30.653 -1.982 1.00 14.44 C ATOM 393 O SER A 22 -15.503 31.201 -1.459 1.00 10.52 O ATOM 394 CB SER A 22 -14.619 28.226 -1.381 1.00 11.55 C ATOM 395 OG SER A 22 -13.702 28.618 -0.373 1.00 74.42 O ATOM 0 H SER A 22 -12.754 28.467 -3.049 1.00 5.54 H new ATOM 0 HA SER A 22 -15.576 29.141 -3.074 1.00 11.14 H new ATOM 0 HB2 SER A 22 -15.618 28.140 -0.955 1.00 11.55 H new ATOM 0 HB3 SER A 22 -14.348 27.240 -1.760 1.00 11.55 H new ATOM 0 HG SER A 22 -12.891 28.978 -0.790 1.00 74.42 H new ATOM 401 N LYS A 23 -13.348 31.244 -2.103 1.00 73.04 N ATOM 402 CA LYS A 23 -13.116 32.600 -1.621 1.00 1.04 C ATOM 403 C LYS A 23 -14.163 33.562 -2.174 1.00 64.42 C ATOM 404 O LYS A 23 -15.091 33.955 -1.470 1.00 13.10 O ATOM 405 CB LYS A 23 -11.715 33.071 -2.017 1.00 2.34 C ATOM 406 CG LYS A 23 -10.728 33.083 -0.862 1.00 60.11 C ATOM 407 CD LYS A 23 -10.526 31.691 -0.287 1.00 13.02 C ATOM 408 CE LYS A 23 -9.727 31.733 1.006 1.00 21.15 C ATOM 409 NZ LYS A 23 -8.307 31.338 0.794 1.00 60.31 N ATOM 0 H LYS A 23 -12.533 30.804 -2.531 1.00 73.04 H new ATOM 0 HA LYS A 23 -13.196 32.591 -0.534 1.00 1.04 H new ATOM 0 HB2 LYS A 23 -11.332 32.422 -2.805 1.00 2.34 H new ATOM 0 HB3 LYS A 23 -11.783 34.075 -2.436 1.00 2.34 H new ATOM 0 HG2 LYS A 23 -9.772 33.479 -1.204 1.00 60.11 H new ATOM 0 HG3 LYS A 23 -11.089 33.752 -0.081 1.00 60.11 H new ATOM 0 HD2 LYS A 23 -11.495 31.228 -0.102 1.00 13.02 H new ATOM 0 HD3 LYS A 23 -10.009 31.067 -1.016 1.00 13.02 H new ATOM 0 HE2 LYS A 23 -9.766 32.739 1.424 1.00 21.15 H new ATOM 0 HE3 LYS A 23 -10.184 31.066 1.737 1.00 21.15 H new ATOM 0 HZ1 LYS A 23 -7.796 31.380 1.699 1.00 60.31 H new ATOM 0 HZ2 LYS A 23 -8.269 30.369 0.419 1.00 60.31 H new ATOM 0 HZ3 LYS A 23 -7.863 31.989 0.116 1.00 60.31 H new ATOM 423 N ASN A 24 -14.006 33.935 -3.440 1.00 70.32 N ATOM 424 CA ASN A 24 -14.939 34.850 -4.088 1.00 63.43 C ATOM 425 C ASN A 24 -15.133 34.479 -5.556 1.00 3.54 C ATOM 426 O ASN A 24 -15.571 35.300 -6.362 1.00 43.31 O ATOM 427 CB ASN A 24 -14.434 36.290 -3.976 1.00 62.54 C ATOM 428 CG ASN A 24 -15.397 37.183 -3.218 1.00 61.34 C ATOM 429 OD1 ASN A 24 -15.707 38.291 -3.655 1.00 14.10 O ATOM 430 ND2 ASN A 24 -15.874 36.703 -2.076 1.00 75.51 N ATOM 0 H ASN A 24 -13.242 33.618 -4.037 1.00 70.32 H new ATOM 0 HA ASN A 24 -15.901 34.769 -3.581 1.00 63.43 H new ATOM 0 HB2 ASN A 24 -13.467 36.295 -3.474 1.00 62.54 H new ATOM 0 HB3 ASN A 24 -14.277 36.696 -4.975 1.00 62.54 H new ATOM 0 HD21 ASN A 24 -16.526 37.259 -1.522 1.00 75.51 H new ATOM 0 HD22 ASN A 24 -15.589 35.779 -1.753 1.00 75.51 H new ATOM 437 N LYS A 25 -14.804 33.238 -5.895 1.00 73.42 N ATOM 438 CA LYS A 25 -14.944 32.756 -7.264 1.00 44.14 C ATOM 439 C LYS A 25 -16.380 32.329 -7.548 1.00 13.24 C ATOM 440 O LYS A 25 -16.816 32.309 -8.698 1.00 14.53 O ATOM 441 CB LYS A 25 -13.993 31.583 -7.513 1.00 73.43 C ATOM 442 CG LYS A 25 -12.984 31.841 -8.618 1.00 45.51 C ATOM 443 CD LYS A 25 -13.522 31.422 -9.975 1.00 71.44 C ATOM 444 CE LYS A 25 -13.605 32.602 -10.931 1.00 74.23 C ATOM 445 NZ LYS A 25 -12.399 32.699 -11.799 1.00 73.23 N ATOM 0 H LYS A 25 -14.438 32.547 -5.240 1.00 73.42 H new ATOM 0 HA LYS A 25 -14.688 33.574 -7.938 1.00 44.14 H new ATOM 0 HB2 LYS A 25 -13.459 31.357 -6.590 1.00 73.43 H new ATOM 0 HB3 LYS A 25 -14.578 30.699 -7.766 1.00 73.43 H new ATOM 0 HG2 LYS A 25 -12.729 32.901 -8.638 1.00 45.51 H new ATOM 0 HG3 LYS A 25 -12.064 31.296 -8.406 1.00 45.51 H new ATOM 0 HD2 LYS A 25 -12.878 30.652 -10.401 1.00 71.44 H new ATOM 0 HD3 LYS A 25 -14.511 30.980 -9.855 1.00 71.44 H new ATOM 0 HE2 LYS A 25 -14.494 32.503 -11.554 1.00 74.23 H new ATOM 0 HE3 LYS A 25 -13.717 33.524 -10.361 1.00 74.23 H new ATOM 0 HZ1 LYS A 25 -12.494 33.516 -12.436 1.00 73.23 H new ATOM 0 HZ2 LYS A 25 -11.553 32.819 -11.206 1.00 73.23 H new ATOM 0 HZ3 LYS A 25 -12.306 31.830 -12.362 1.00 73.23 H new ATOM 459 N ASN A 26 -17.111 31.990 -6.491 1.00 32.33 N ATOM 460 CA ASN A 26 -18.500 31.564 -6.626 1.00 44.24 C ATOM 461 C ASN A 26 -19.430 32.769 -6.731 1.00 60.10 C ATOM 462 O ASN A 26 -20.624 32.624 -6.992 1.00 73.43 O ATOM 463 CB ASN A 26 -18.907 30.693 -5.436 1.00 45.31 C ATOM 464 CG ASN A 26 -18.774 29.212 -5.732 1.00 24.24 C ATOM 465 OD1 ASN A 26 -19.258 28.725 -6.754 1.00 4.43 O ATOM 466 ND2 ASN A 26 -18.115 28.487 -4.835 1.00 30.40 N ATOM 0 H ASN A 26 -16.765 32.002 -5.532 1.00 32.33 H new ATOM 0 HA ASN A 26 -18.587 30.979 -7.541 1.00 44.24 H new ATOM 0 HB2 ASN A 26 -18.288 30.946 -4.575 1.00 45.31 H new ATOM 0 HB3 ASN A 26 -19.939 30.915 -5.163 1.00 45.31 H new ATOM 0 HD21 ASN A 26 -17.994 27.485 -4.979 1.00 30.40 H new ATOM 0 HD22 ASN A 26 -17.730 28.933 -4.002 1.00 30.40 H new ATOM 473 N PHE A 27 -18.874 33.958 -6.526 1.00 12.42 N ATOM 474 CA PHE A 27 -19.654 35.189 -6.597 1.00 24.24 C ATOM 475 C PHE A 27 -20.436 35.262 -7.904 1.00 53.43 C ATOM 476 O PHE A 27 -21.552 35.782 -7.946 1.00 21.34 O ATOM 477 CB PHE A 27 -18.736 36.407 -6.469 1.00 32.31 C ATOM 478 CG PHE A 27 -19.195 37.397 -5.437 1.00 24.02 C ATOM 479 CD1 PHE A 27 -20.218 38.287 -5.718 1.00 54.12 C ATOM 480 CD2 PHE A 27 -18.602 37.437 -4.185 1.00 11.30 C ATOM 481 CE1 PHE A 27 -20.641 39.200 -4.770 1.00 74.25 C ATOM 482 CE2 PHE A 27 -19.021 38.348 -3.233 1.00 32.51 C ATOM 483 CZ PHE A 27 -20.043 39.229 -3.526 1.00 10.21 C ATOM 0 H PHE A 27 -17.887 34.096 -6.309 1.00 12.42 H new ATOM 0 HA PHE A 27 -20.364 35.189 -5.770 1.00 24.24 H new ATOM 0 HB2 PHE A 27 -17.731 36.070 -6.216 1.00 32.31 H new ATOM 0 HB3 PHE A 27 -18.670 36.906 -7.436 1.00 32.31 H new ATOM 0 HD1 PHE A 27 -20.691 38.268 -6.689 1.00 54.12 H new ATOM 0 HD2 PHE A 27 -17.804 36.749 -3.950 1.00 11.30 H new ATOM 0 HE1 PHE A 27 -21.439 39.890 -5.002 1.00 74.25 H new ATOM 0 HE2 PHE A 27 -18.550 38.370 -2.262 1.00 32.51 H new ATOM 0 HZ PHE A 27 -20.374 39.940 -2.783 1.00 10.21 H new ATOM 493 N LYS A 28 -19.843 34.739 -8.972 1.00 52.30 N ATOM 494 CA LYS A 28 -20.483 34.744 -10.282 1.00 63.23 C ATOM 495 C LYS A 28 -21.797 33.970 -10.249 1.00 0.31 C ATOM 496 O LYS A 28 -22.849 34.497 -10.611 1.00 51.23 O ATOM 497 CB LYS A 28 -19.548 34.137 -11.331 1.00 60.30 C ATOM 498 CG LYS A 28 -19.132 35.116 -12.415 1.00 3.35 C ATOM 499 CD LYS A 28 -17.904 35.912 -12.005 1.00 3.10 C ATOM 500 CE LYS A 28 -17.683 37.107 -12.920 1.00 13.13 C ATOM 501 NZ LYS A 28 -18.384 38.323 -12.422 1.00 53.13 N ATOM 0 H LYS A 28 -18.920 34.306 -8.956 1.00 52.30 H new ATOM 0 HA LYS A 28 -20.698 35.779 -10.550 1.00 63.23 H new ATOM 0 HB2 LYS A 28 -18.655 33.758 -10.834 1.00 60.30 H new ATOM 0 HB3 LYS A 28 -20.042 33.283 -11.795 1.00 60.30 H new ATOM 0 HG2 LYS A 28 -18.924 34.573 -13.337 1.00 3.35 H new ATOM 0 HG3 LYS A 28 -19.955 35.798 -12.626 1.00 3.35 H new ATOM 0 HD2 LYS A 28 -18.019 36.256 -10.977 1.00 3.10 H new ATOM 0 HD3 LYS A 28 -17.026 35.267 -12.029 1.00 3.10 H new ATOM 0 HE2 LYS A 28 -16.615 37.311 -13.000 1.00 13.13 H new ATOM 0 HE3 LYS A 28 -18.038 36.868 -13.922 1.00 13.13 H new ATOM 0 HZ1 LYS A 28 -18.209 39.115 -13.072 1.00 53.13 H new ATOM 0 HZ2 LYS A 28 -19.406 38.137 -12.369 1.00 53.13 H new ATOM 0 HZ3 LYS A 28 -18.027 38.566 -11.476 1.00 53.13 H new ATOM 515 N LYS A 29 -21.730 32.718 -9.810 1.00 71.24 N ATOM 516 CA LYS A 29 -22.915 31.872 -9.726 1.00 64.35 C ATOM 517 C LYS A 29 -23.938 32.463 -8.763 1.00 33.14 C ATOM 518 O LYS A 29 -25.103 32.644 -9.115 1.00 15.55 O ATOM 519 CB LYS A 29 -22.528 30.461 -9.275 1.00 13.40 C ATOM 520 CG LYS A 29 -21.628 29.733 -10.258 1.00 4.53 C ATOM 521 CD LYS A 29 -22.432 29.055 -11.354 1.00 22.42 C ATOM 522 CE LYS A 29 -21.568 28.108 -12.174 1.00 14.22 C ATOM 523 NZ LYS A 29 -22.391 27.140 -12.951 1.00 23.12 N ATOM 0 H LYS A 29 -20.867 32.266 -9.507 1.00 71.24 H new ATOM 0 HA LYS A 29 -23.365 31.819 -10.717 1.00 64.35 H new ATOM 0 HB2 LYS A 29 -22.024 30.523 -8.311 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -23.435 29.876 -9.124 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -20.928 30.440 -10.703 1.00 4.53 H new ATOM 0 HG3 LYS A 29 -21.035 28.988 -9.727 1.00 4.53 H new ATOM 0 HD2 LYS A 29 -23.260 28.502 -10.910 1.00 22.42 H new ATOM 0 HD3 LYS A 29 -22.867 29.811 -12.008 1.00 22.42 H new ATOM 0 HE2 LYS A 29 -20.944 28.685 -12.857 1.00 14.22 H new ATOM 0 HE3 LYS A 29 -20.896 27.563 -11.511 1.00 14.22 H new ATOM 0 HZ1 LYS A 29 -21.766 26.512 -13.496 1.00 23.12 H new ATOM 0 HZ2 LYS A 29 -22.968 26.572 -12.298 1.00 23.12 H new ATOM 0 HZ3 LYS A 29 -23.015 27.659 -13.602 1.00 23.12 H new ATOM 537 N ALA A 30 -23.495 32.762 -7.546 1.00 41.41 N ATOM 538 CA ALA A 30 -24.372 33.336 -6.533 1.00 41.42 C ATOM 539 C ALA A 30 -25.057 34.596 -7.051 1.00 14.42 C ATOM 540 O ALA A 30 -26.283 34.713 -7.004 1.00 62.21 O ATOM 541 CB ALA A 30 -23.586 33.643 -5.267 1.00 0.10 C ATOM 0 H ALA A 30 -22.534 32.616 -7.238 1.00 41.41 H new ATOM 0 HA ALA A 30 -25.145 32.604 -6.299 1.00 41.42 H new ATOM 0 HB1 ALA A 30 -24.253 34.071 -4.519 1.00 0.10 H new ATOM 0 HB2 ALA A 30 -23.148 32.723 -4.879 1.00 0.10 H new ATOM 0 HB3 ALA A 30 -22.792 34.355 -5.495 1.00 0.10 H new ATOM 547 N LEU A 31 -24.260 35.538 -7.543 1.00 52.12 N ATOM 548 CA LEU A 31 -24.790 36.791 -8.069 1.00 54.15 C ATOM 549 C LEU A 31 -25.845 36.529 -9.140 1.00 43.23 C ATOM 550 O LEU A 31 -27.003 36.922 -8.997 1.00 4.34 O ATOM 551 CB LEU A 31 -23.660 37.643 -8.649 1.00 4.05 C ATOM 552 CG LEU A 31 -24.068 39.001 -9.221 1.00 62.23 C ATOM 553 CD1 LEU A 31 -24.527 39.932 -8.111 1.00 14.35 C ATOM 554 CD2 LEU A 31 -22.915 39.621 -9.997 1.00 23.11 C ATOM 0 H LEU A 31 -23.244 35.458 -7.589 1.00 52.12 H new ATOM 0 HA LEU A 31 -25.259 37.332 -7.247 1.00 54.15 H new ATOM 0 HB2 LEU A 31 -22.919 37.809 -7.867 1.00 4.05 H new ATOM 0 HB3 LEU A 31 -23.169 37.072 -9.437 1.00 4.05 H new ATOM 0 HG LEU A 31 -24.901 38.849 -9.907 1.00 62.23 H new ATOM 0 HD11 LEU A 31 -24.813 40.893 -8.538 1.00 14.35 H new ATOM 0 HD12 LEU A 31 -25.383 39.493 -7.599 1.00 14.35 H new ATOM 0 HD13 LEU A 31 -23.714 40.078 -7.400 1.00 14.35 H new ATOM 0 HD21 LEU A 31 -23.223 40.587 -10.397 1.00 23.11 H new ATOM 0 HD22 LEU A 31 -22.062 39.759 -9.333 1.00 23.11 H new ATOM 0 HD23 LEU A 31 -22.633 38.962 -10.818 1.00 23.11 H new ATOM 566 N LYS A 32 -25.437 35.861 -10.214 1.00 22.22 N ATOM 567 CA LYS A 32 -26.346 35.542 -11.308 1.00 42.24 C ATOM 568 C LYS A 32 -27.609 34.864 -10.787 1.00 2.20 C ATOM 569 O LYS A 32 -28.723 35.233 -11.160 1.00 44.12 O ATOM 570 CB LYS A 32 -25.652 34.636 -12.328 1.00 4.22 C ATOM 571 CG LYS A 32 -25.081 35.386 -13.519 1.00 3.32 C ATOM 572 CD LYS A 32 -25.844 35.071 -14.794 1.00 52.42 C ATOM 573 CE LYS A 32 -25.105 35.573 -16.025 1.00 4.11 C ATOM 574 NZ LYS A 32 -24.540 34.453 -16.828 1.00 13.11 N ATOM 0 H LYS A 32 -24.482 35.530 -10.350 1.00 22.22 H new ATOM 0 HA LYS A 32 -26.630 36.475 -11.794 1.00 42.24 H new ATOM 0 HB2 LYS A 32 -24.848 34.094 -11.831 1.00 4.22 H new ATOM 0 HB3 LYS A 32 -26.365 33.893 -12.685 1.00 4.22 H new ATOM 0 HG2 LYS A 32 -25.119 36.458 -13.327 1.00 3.32 H new ATOM 0 HG3 LYS A 32 -24.031 35.122 -13.647 1.00 3.32 H new ATOM 0 HD2 LYS A 32 -25.994 33.994 -14.873 1.00 52.42 H new ATOM 0 HD3 LYS A 32 -26.832 35.528 -14.750 1.00 52.42 H new ATOM 0 HE2 LYS A 32 -25.786 36.157 -16.645 1.00 4.11 H new ATOM 0 HE3 LYS A 32 -24.301 36.242 -15.718 1.00 4.11 H new ATOM 0 HZ1 LYS A 32 -24.044 34.836 -17.658 1.00 13.11 H new ATOM 0 HZ2 LYS A 32 -23.871 33.911 -16.245 1.00 13.11 H new ATOM 0 HZ3 LYS A 32 -25.310 33.828 -17.143 1.00 13.11 H new ATOM 588 N PHE A 33 -27.428 33.872 -9.921 1.00 51.33 N ATOM 589 CA PHE A 33 -28.554 33.143 -9.348 1.00 45.32 C ATOM 590 C PHE A 33 -29.557 34.102 -8.714 1.00 43.42 C ATOM 591 O PHE A 33 -30.723 34.144 -9.103 1.00 11.40 O ATOM 592 CB PHE A 33 -28.060 32.140 -8.304 1.00 1.03 C ATOM 593 CG PHE A 33 -29.039 31.035 -8.024 1.00 45.40 C ATOM 594 CD1 PHE A 33 -29.596 30.306 -9.062 1.00 42.42 C ATOM 595 CD2 PHE A 33 -29.401 30.726 -6.723 1.00 63.30 C ATOM 596 CE1 PHE A 33 -30.497 29.290 -8.808 1.00 11.15 C ATOM 597 CE2 PHE A 33 -30.301 29.710 -6.462 1.00 53.12 C ATOM 598 CZ PHE A 33 -30.849 28.991 -7.506 1.00 34.21 C ATOM 0 H PHE A 33 -26.513 33.555 -9.601 1.00 51.33 H new ATOM 0 HA PHE A 33 -29.053 32.604 -10.153 1.00 45.32 H new ATOM 0 HB2 PHE A 33 -27.121 31.705 -8.646 1.00 1.03 H new ATOM 0 HB3 PHE A 33 -27.847 32.670 -7.375 1.00 1.03 H new ATOM 0 HD1 PHE A 33 -29.323 30.535 -10.082 1.00 42.42 H new ATOM 0 HD2 PHE A 33 -28.975 31.285 -5.903 1.00 63.30 H new ATOM 0 HE1 PHE A 33 -30.926 28.730 -9.626 1.00 11.15 H new ATOM 0 HE2 PHE A 33 -30.575 29.479 -5.443 1.00 53.12 H new ATOM 0 HZ PHE A 33 -31.552 28.196 -7.305 1.00 34.21 H new ATOM 608 N GLY A 34 -29.093 34.872 -7.734 1.00 61.00 N ATOM 609 CA GLY A 34 -29.961 35.820 -7.061 1.00 35.22 C ATOM 610 C GLY A 34 -30.543 36.849 -8.010 1.00 32.50 C ATOM 611 O GLY A 34 -31.704 37.239 -7.880 1.00 23.22 O ATOM 0 H GLY A 34 -28.131 34.856 -7.394 1.00 61.00 H new ATOM 0 HA2 GLY A 34 -30.773 35.281 -6.572 1.00 35.22 H new ATOM 0 HA3 GLY A 34 -29.400 36.329 -6.278 1.00 35.22 H new ATOM 615 N LYS A 35 -29.735 37.291 -8.968 1.00 14.35 N ATOM 616 CA LYS A 35 -30.175 38.282 -9.943 1.00 73.30 C ATOM 617 C LYS A 35 -31.428 37.808 -10.672 1.00 73.13 C ATOM 618 O LYS A 35 -32.436 38.513 -10.715 1.00 0.13 O ATOM 619 CB LYS A 35 -29.060 38.563 -10.953 1.00 13.32 C ATOM 620 CG LYS A 35 -28.219 39.779 -10.606 1.00 43.33 C ATOM 621 CD LYS A 35 -27.042 39.932 -11.555 1.00 62.42 C ATOM 622 CE LYS A 35 -27.253 41.085 -12.525 1.00 30.44 C ATOM 623 NZ LYS A 35 -26.016 41.398 -13.291 1.00 44.52 N ATOM 0 H LYS A 35 -28.772 36.978 -9.090 1.00 14.35 H new ATOM 0 HA LYS A 35 -30.413 39.201 -9.408 1.00 73.30 H new ATOM 0 HB2 LYS A 35 -28.411 37.689 -11.018 1.00 13.32 H new ATOM 0 HB3 LYS A 35 -29.502 38.706 -11.939 1.00 13.32 H new ATOM 0 HG2 LYS A 35 -28.839 40.675 -10.646 1.00 43.33 H new ATOM 0 HG3 LYS A 35 -27.854 39.690 -9.583 1.00 43.33 H new ATOM 0 HD2 LYS A 35 -26.130 40.100 -10.981 1.00 62.42 H new ATOM 0 HD3 LYS A 35 -26.901 39.007 -12.114 1.00 62.42 H new ATOM 0 HE2 LYS A 35 -28.056 40.834 -13.218 1.00 30.44 H new ATOM 0 HE3 LYS A 35 -27.573 41.969 -11.974 1.00 30.44 H new ATOM 0 HZ1 LYS A 35 -26.201 42.189 -13.941 1.00 44.52 H new ATOM 0 HZ2 LYS A 35 -25.257 41.662 -12.631 1.00 44.52 H new ATOM 0 HZ3 LYS A 35 -25.725 40.562 -13.837 1.00 44.52 H new ATOM 637 N GLN A 36 -31.358 36.610 -11.243 1.00 61.32 N ATOM 638 CA GLN A 36 -32.488 36.043 -11.970 1.00 22.42 C ATOM 639 C GLN A 36 -33.639 35.721 -11.022 1.00 5.31 C ATOM 640 O GLN A 36 -34.808 35.885 -11.371 1.00 75.40 O ATOM 641 CB GLN A 36 -32.058 34.779 -12.717 1.00 34.55 C ATOM 642 CG GLN A 36 -32.232 34.874 -14.224 1.00 22.12 C ATOM 643 CD GLN A 36 -33.612 34.444 -14.681 1.00 23.41 C ATOM 644 OE1 GLN A 36 -34.361 33.819 -13.929 1.00 2.41 O ATOM 645 NE2 GLN A 36 -33.956 34.776 -15.920 1.00 23.04 N ATOM 0 H GLN A 36 -30.531 36.013 -11.216 1.00 61.32 H new ATOM 0 HA GLN A 36 -32.832 36.784 -12.692 1.00 22.42 H new ATOM 0 HB2 GLN A 36 -31.011 34.573 -12.493 1.00 34.55 H new ATOM 0 HB3 GLN A 36 -32.636 33.933 -12.345 1.00 34.55 H new ATOM 0 HG2 GLN A 36 -32.052 35.901 -14.543 1.00 22.12 H new ATOM 0 HG3 GLN A 36 -31.482 34.252 -14.712 1.00 22.12 H new ATOM 0 HE21 GLN A 36 -33.304 35.294 -16.509 1.00 23.04 H new ATOM 0 HE22 GLN A 36 -34.872 34.513 -16.283 1.00 23.04 H new ATOM 654 N LEU A 37 -33.300 35.264 -9.822 1.00 24.42 N ATOM 655 CA LEU A 37 -34.305 34.919 -8.823 1.00 21.45 C ATOM 656 C LEU A 37 -35.199 36.115 -8.514 1.00 53.14 C ATOM 657 O LEU A 37 -36.425 36.003 -8.515 1.00 22.13 O ATOM 658 CB LEU A 37 -33.630 34.428 -7.540 1.00 54.12 C ATOM 659 CG LEU A 37 -33.912 32.978 -7.146 1.00 70.33 C ATOM 660 CD1 LEU A 37 -35.404 32.759 -6.948 1.00 22.53 C ATOM 661 CD2 LEU A 37 -33.366 32.024 -8.199 1.00 34.42 C ATOM 0 H LEU A 37 -32.337 35.124 -9.517 1.00 24.42 H new ATOM 0 HA LEU A 37 -34.925 34.120 -9.229 1.00 21.45 H new ATOM 0 HB2 LEU A 37 -32.553 34.551 -7.650 1.00 54.12 H new ATOM 0 HB3 LEU A 37 -33.942 35.074 -6.719 1.00 54.12 H new ATOM 0 HG LEU A 37 -33.407 32.773 -6.202 1.00 70.33 H new ATOM 0 HD11 LEU A 37 -35.585 31.721 -6.668 1.00 22.53 H new ATOM 0 HD12 LEU A 37 -35.767 33.417 -6.158 1.00 22.53 H new ATOM 0 HD13 LEU A 37 -35.931 32.982 -7.876 1.00 22.53 H new ATOM 0 HD21 LEU A 37 -33.575 30.996 -7.902 1.00 34.42 H new ATOM 0 HD22 LEU A 37 -33.842 32.229 -9.158 1.00 34.42 H new ATOM 0 HD23 LEU A 37 -32.289 32.162 -8.292 1.00 34.42 H new ATOM 673 N ALA A 38 -34.578 37.261 -8.254 1.00 63.40 N ATOM 674 CA ALA A 38 -35.317 38.479 -7.949 1.00 34.12 C ATOM 675 C ALA A 38 -35.936 39.076 -9.208 1.00 45.05 C ATOM 676 O ALA A 38 -37.049 39.600 -9.178 1.00 75.51 O ATOM 677 CB ALA A 38 -34.407 39.494 -7.273 1.00 71.22 C ATOM 0 H ALA A 38 -33.564 37.371 -8.249 1.00 63.40 H new ATOM 0 HA ALA A 38 -36.126 38.221 -7.265 1.00 34.12 H new ATOM 0 HB1 ALA A 38 -34.973 40.399 -7.051 1.00 71.22 H new ATOM 0 HB2 ALA A 38 -34.018 39.073 -6.346 1.00 71.22 H new ATOM 0 HB3 ALA A 38 -33.578 39.738 -7.937 1.00 71.22 H new ATOM 683 N LYS A 39 -35.205 38.995 -10.316 1.00 35.13 N ATOM 684 CA LYS A 39 -35.681 39.527 -11.587 1.00 75.42 C ATOM 685 C LYS A 39 -36.977 38.843 -12.012 1.00 60.42 C ATOM 686 O LYS A 39 -37.783 39.418 -12.742 1.00 63.14 O ATOM 687 CB LYS A 39 -34.616 39.344 -12.671 1.00 34.52 C ATOM 688 CG LYS A 39 -33.561 40.436 -12.677 1.00 53.14 C ATOM 689 CD LYS A 39 -33.547 41.190 -13.997 1.00 35.04 C ATOM 690 CE LYS A 39 -32.429 40.703 -14.905 1.00 74.43 C ATOM 691 NZ LYS A 39 -32.600 41.186 -16.303 1.00 75.04 N ATOM 0 H LYS A 39 -34.281 38.566 -10.358 1.00 35.13 H new ATOM 0 HA LYS A 39 -35.878 40.591 -11.456 1.00 75.42 H new ATOM 0 HB2 LYS A 39 -34.128 38.380 -12.530 1.00 34.52 H new ATOM 0 HB3 LYS A 39 -35.103 39.315 -13.646 1.00 34.52 H new ATOM 0 HG2 LYS A 39 -33.752 41.133 -11.861 1.00 53.14 H new ATOM 0 HG3 LYS A 39 -32.580 39.996 -12.497 1.00 53.14 H new ATOM 0 HD2 LYS A 39 -34.506 41.064 -14.499 1.00 35.04 H new ATOM 0 HD3 LYS A 39 -33.424 42.256 -13.807 1.00 35.04 H new ATOM 0 HE2 LYS A 39 -31.470 41.047 -14.517 1.00 74.43 H new ATOM 0 HE3 LYS A 39 -32.404 39.613 -14.898 1.00 74.43 H new ATOM 0 HZ1 LYS A 39 -31.818 40.833 -16.890 1.00 75.04 H new ATOM 0 HZ2 LYS A 39 -33.503 40.837 -16.683 1.00 75.04 H new ATOM 0 HZ3 LYS A 39 -32.598 42.226 -16.314 1.00 75.04 H new ATOM 705 N ASN A 40 -37.171 37.612 -11.549 1.00 2.12 N ATOM 706 CA ASN A 40 -38.369 36.850 -11.881 1.00 14.45 C ATOM 707 C ASN A 40 -39.183 36.543 -10.627 1.00 50.20 C ATOM 708 O ASN A 40 -39.979 35.603 -10.605 1.00 25.03 O ATOM 709 CB ASN A 40 -37.991 35.548 -12.589 1.00 34.13 C ATOM 710 CG ASN A 40 -37.993 35.689 -14.099 1.00 4.44 C ATOM 711 OD1 ASN A 40 -38.556 34.858 -14.811 1.00 12.14 O ATOM 712 ND2 ASN A 40 -37.359 36.746 -14.594 1.00 51.02 N ATOM 0 H ASN A 40 -36.514 37.121 -10.943 1.00 2.12 H new ATOM 0 HA ASN A 40 -38.980 37.455 -12.551 1.00 14.45 H new ATOM 0 HB2 ASN A 40 -37.002 35.231 -12.258 1.00 34.13 H new ATOM 0 HB3 ASN A 40 -38.690 34.764 -12.299 1.00 34.13 H new ATOM 0 HD21 ASN A 40 -37.325 36.894 -15.603 1.00 51.02 H new ATOM 0 HD22 ASN A 40 -36.906 37.409 -13.966 1.00 51.02 H new ATOM 719 N LEU A 41 -38.979 37.342 -9.586 1.00 1.15 N ATOM 720 CA LEU A 41 -39.694 37.157 -8.327 1.00 62.24 C ATOM 721 C LEU A 41 -41.193 37.364 -8.517 1.00 70.35 C ATOM 722 O LEU A 41 -41.892 36.485 -9.021 1.00 34.33 O ATOM 723 CB LEU A 41 -39.164 38.126 -7.269 1.00 43.14 C ATOM 724 CG LEU A 41 -40.018 38.277 -6.010 1.00 5.41 C ATOM 725 CD1 LEU A 41 -40.169 36.939 -5.304 1.00 33.10 C ATOM 726 CD2 LEU A 41 -39.408 39.310 -5.073 1.00 40.33 C ATOM 0 H LEU A 41 -38.325 38.124 -9.588 1.00 1.15 H new ATOM 0 HA LEU A 41 -39.527 36.134 -7.990 1.00 62.24 H new ATOM 0 HB2 LEU A 41 -38.168 37.798 -6.971 1.00 43.14 H new ATOM 0 HB3 LEU A 41 -39.052 39.108 -7.728 1.00 43.14 H new ATOM 0 HG LEU A 41 -41.009 38.623 -6.305 1.00 5.41 H new ATOM 0 HD11 LEU A 41 -40.780 37.066 -4.410 1.00 33.10 H new ATOM 0 HD12 LEU A 41 -40.650 36.226 -5.974 1.00 33.10 H new ATOM 0 HD13 LEU A 41 -39.185 36.564 -5.021 1.00 33.10 H new ATOM 0 HD21 LEU A 41 -40.029 39.405 -4.182 1.00 40.33 H new ATOM 0 HD22 LEU A 41 -38.406 38.993 -4.785 1.00 40.33 H new ATOM 0 HD23 LEU A 41 -39.352 40.273 -5.580 1.00 40.33 H new TER 738 LEU A 41