USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=8 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+ -147:sc= -0.118 (180deg=-0.976) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0969) 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 79:sc= 1.14 USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.078) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -148:sc= -0.111 (180deg=-0.878) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -86:sc= 0.0559 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.42) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0595 K(o=-0.06,f=-0.83) 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= -0.159 X(o=-0.16,f=-0.54) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.00241 X(o=0.0024,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.924 0.322 -8.345 1.00 5.23 N ATOM 2 CA LYS A 1 0.092 0.393 -7.150 1.00 3.55 C ATOM 3 C LYS A 1 -0.499 1.789 -6.981 1.00 1.44 C ATOM 4 O LYS A 1 0.076 2.777 -7.438 1.00 52.33 O ATOM 5 CB LYS A 1 0.910 0.021 -5.911 1.00 0.02 C ATOM 6 CG LYS A 1 1.675 -1.283 -6.056 1.00 74.32 C ATOM 7 CD LYS A 1 1.314 -2.267 -4.955 1.00 42.24 C ATOM 8 CE LYS A 1 2.215 -3.492 -4.986 1.00 33.20 C ATOM 9 NZ LYS A 1 2.868 -3.733 -3.670 1.00 20.33 N ATOM 0 H1 LYS A 1 0.858 -0.630 -8.758 1.00 5.23 H new ATOM 0 H2 LYS A 1 0.595 1.023 -9.039 1.00 5.23 H new ATOM 0 H3 LYS A 1 1.913 0.522 -8.092 1.00 5.23 H new ATOM 0 HA LYS A 1 -0.726 -0.318 -7.265 1.00 3.55 H new ATOM 0 HB2 LYS A 1 1.615 0.824 -5.697 1.00 0.02 H new ATOM 0 HB3 LYS A 1 0.241 -0.053 -5.053 1.00 0.02 H new ATOM 0 HG2 LYS A 1 1.458 -1.727 -7.028 1.00 74.32 H new ATOM 0 HG3 LYS A 1 2.746 -1.082 -6.029 1.00 74.32 H new ATOM 0 HD2 LYS A 1 1.398 -1.777 -3.985 1.00 42.24 H new ATOM 0 HD3 LYS A 1 0.275 -2.575 -5.067 1.00 42.24 H new ATOM 0 HE2 LYS A 1 1.629 -4.367 -5.266 1.00 33.20 H new ATOM 0 HE3 LYS A 1 2.979 -3.362 -5.752 1.00 33.20 H new ATOM 0 HZ1 LYS A 1 3.474 -4.576 -3.732 1.00 20.33 H new ATOM 0 HZ2 LYS A 1 3.448 -2.908 -3.414 1.00 20.33 H new ATOM 0 HZ3 LYS A 1 2.139 -3.883 -2.943 1.00 20.33 H new ATOM 23 N PHE A 2 -1.649 1.864 -6.319 1.00 73.25 N ATOM 24 CA PHE A 2 -2.318 3.139 -6.090 1.00 2.24 C ATOM 25 C PHE A 2 -1.653 3.904 -4.949 1.00 31.14 C ATOM 26 O PHE A 2 -1.568 3.413 -3.823 1.00 32.32 O ATOM 27 CB PHE A 2 -3.798 2.914 -5.773 1.00 62.33 C ATOM 28 CG PHE A 2 -4.724 3.741 -6.618 1.00 11.11 C ATOM 29 CD1 PHE A 2 -4.674 3.667 -8.001 1.00 11.34 C ATOM 30 CD2 PHE A 2 -5.645 4.593 -6.029 1.00 45.21 C ATOM 31 CE1 PHE A 2 -5.525 4.427 -8.781 1.00 13.12 C ATOM 32 CE2 PHE A 2 -6.498 5.355 -6.804 1.00 75.00 C ATOM 33 CZ PHE A 2 -6.438 5.273 -8.181 1.00 70.25 C ATOM 0 H PHE A 2 -2.137 1.056 -5.932 1.00 73.25 H new ATOM 0 HA PHE A 2 -2.235 3.733 -7.000 1.00 2.24 H new ATOM 0 HB2 PHE A 2 -4.035 1.859 -5.913 1.00 62.33 H new ATOM 0 HB3 PHE A 2 -3.975 3.143 -4.722 1.00 62.33 H new ATOM 0 HD1 PHE A 2 -3.962 3.008 -8.475 1.00 11.34 H new ATOM 0 HD2 PHE A 2 -5.696 4.662 -4.952 1.00 45.21 H new ATOM 0 HE1 PHE A 2 -5.476 4.360 -9.858 1.00 13.12 H new ATOM 0 HE2 PHE A 2 -7.212 6.015 -6.333 1.00 75.00 H new ATOM 0 HZ PHE A 2 -7.103 5.869 -8.788 1.00 70.25 H new ATOM 43 N LYS A 3 -1.182 5.110 -5.248 1.00 31.30 N ATOM 44 CA LYS A 3 -0.525 5.945 -4.249 1.00 71.44 C ATOM 45 C LYS A 3 -1.495 6.972 -3.676 1.00 15.23 C ATOM 46 O LYS A 3 -2.084 7.763 -4.413 1.00 72.21 O ATOM 47 CB LYS A 3 0.683 6.656 -4.864 1.00 33.51 C ATOM 48 CG LYS A 3 2.014 6.187 -4.303 1.00 64.14 C ATOM 49 CD LYS A 3 2.452 4.873 -4.930 1.00 13.35 C ATOM 50 CE LYS A 3 2.701 3.808 -3.873 1.00 30.10 C ATOM 51 NZ LYS A 3 3.818 4.181 -2.962 1.00 11.34 N ATOM 0 H LYS A 3 -1.243 5.531 -6.175 1.00 31.30 H new ATOM 0 HA LYS A 3 -0.186 5.300 -3.438 1.00 71.44 H new ATOM 0 HB2 LYS A 3 0.677 6.498 -5.943 1.00 33.51 H new ATOM 0 HB3 LYS A 3 0.586 7.729 -4.698 1.00 33.51 H new ATOM 0 HG2 LYS A 3 2.774 6.948 -4.482 1.00 64.14 H new ATOM 0 HG3 LYS A 3 1.932 6.066 -3.223 1.00 64.14 H new ATOM 0 HD2 LYS A 3 1.686 4.527 -5.624 1.00 13.35 H new ATOM 0 HD3 LYS A 3 3.361 5.031 -5.511 1.00 13.35 H new ATOM 0 HE2 LYS A 3 1.793 3.655 -3.290 1.00 30.10 H new ATOM 0 HE3 LYS A 3 2.930 2.860 -4.360 1.00 30.10 H new ATOM 0 HZ1 LYS A 3 4.148 3.336 -2.453 1.00 11.34 H new ATOM 0 HZ2 LYS A 3 4.602 4.578 -3.518 1.00 11.34 H new ATOM 0 HZ3 LYS A 3 3.486 4.890 -2.278 1.00 11.34 H new ATOM 65 N TRP A 4 -1.656 6.956 -2.357 1.00 62.25 N ATOM 66 CA TRP A 4 -2.554 7.888 -1.685 1.00 71.14 C ATOM 67 C TRP A 4 -2.104 9.329 -1.901 1.00 74.31 C ATOM 68 O TRP A 4 -2.928 10.236 -2.014 1.00 21.34 O ATOM 69 CB TRP A 4 -2.616 7.579 -0.189 1.00 35.33 C ATOM 70 CG TRP A 4 -3.443 6.371 0.134 1.00 24.43 C ATOM 71 CD1 TRP A 4 -3.028 5.244 0.785 1.00 4.13 C ATOM 72 CD2 TRP A 4 -4.825 6.168 -0.181 1.00 5.23 C ATOM 73 NE1 TRP A 4 -4.068 4.353 0.894 1.00 53.51 N ATOM 74 CE2 TRP A 4 -5.182 4.897 0.310 1.00 42.00 C ATOM 75 CE3 TRP A 4 -5.795 6.938 -0.828 1.00 33.45 C ATOM 76 CZ2 TRP A 4 -6.467 4.381 0.172 1.00 74.52 C ATOM 77 CZ3 TRP A 4 -7.071 6.423 -0.964 1.00 44.41 C ATOM 78 CH2 TRP A 4 -7.398 5.155 -0.466 1.00 2.32 C ATOM 0 H TRP A 4 -1.176 6.308 -1.732 1.00 62.25 H new ATOM 0 HA TRP A 4 -3.549 7.769 -2.115 1.00 71.14 H new ATOM 0 HB2 TRP A 4 -1.604 7.428 0.186 1.00 35.33 H new ATOM 0 HB3 TRP A 4 -3.025 8.442 0.336 1.00 35.33 H new ATOM 0 HD1 TRP A 4 -2.029 5.078 1.159 1.00 4.13 H new ATOM 0 HE1 TRP A 4 -4.019 3.436 1.337 1.00 53.51 H new ATOM 0 HE3 TRP A 4 -5.553 7.917 -1.215 1.00 33.45 H new ATOM 0 HZ2 TRP A 4 -6.721 3.404 0.555 1.00 74.52 H new ATOM 0 HZ3 TRP A 4 -7.829 7.009 -1.463 1.00 44.41 H new ATOM 0 HH2 TRP A 4 -8.404 4.781 -0.588 1.00 2.32 H new ATOM 89 N GLY A 5 -0.792 9.532 -1.958 1.00 44.42 N ATOM 90 CA GLY A 5 -0.256 10.866 -2.160 1.00 60.15 C ATOM 91 C GLY A 5 -0.801 11.526 -3.412 1.00 21.15 C ATOM 92 O GLY A 5 -0.904 12.751 -3.482 1.00 63.23 O ATOM 0 H GLY A 5 -0.090 8.797 -1.868 1.00 44.42 H new ATOM 0 HA2 GLY A 5 -0.493 11.484 -1.294 1.00 60.15 H new ATOM 0 HA3 GLY A 5 0.831 10.812 -2.225 1.00 60.15 H new ATOM 96 N LYS A 6 -1.150 10.713 -4.403 1.00 50.31 N ATOM 97 CA LYS A 6 -1.687 11.224 -5.659 1.00 11.33 C ATOM 98 C LYS A 6 -3.031 11.911 -5.436 1.00 44.32 C ATOM 99 O LYS A 6 -3.210 13.077 -5.791 1.00 5.31 O ATOM 100 CB LYS A 6 -1.845 10.087 -6.670 1.00 72.31 C ATOM 101 CG LYS A 6 -1.201 10.375 -8.015 1.00 62.30 C ATOM 102 CD LYS A 6 -0.770 9.095 -8.712 1.00 54.25 C ATOM 103 CE LYS A 6 -1.433 8.953 -10.074 1.00 71.41 C ATOM 104 NZ LYS A 6 -1.665 7.526 -10.431 1.00 60.35 N ATOM 0 H LYS A 6 -1.071 9.697 -4.361 1.00 50.31 H new ATOM 0 HA LYS A 6 -0.985 11.958 -6.054 1.00 11.33 H new ATOM 0 HB2 LYS A 6 -1.408 9.179 -6.254 1.00 72.31 H new ATOM 0 HB3 LYS A 6 -2.907 9.890 -6.820 1.00 72.31 H new ATOM 0 HG2 LYS A 6 -1.904 10.916 -8.648 1.00 62.30 H new ATOM 0 HG3 LYS A 6 -0.336 11.023 -7.874 1.00 62.30 H new ATOM 0 HD2 LYS A 6 0.313 9.091 -8.831 1.00 54.25 H new ATOM 0 HD3 LYS A 6 -1.025 8.237 -8.090 1.00 54.25 H new ATOM 0 HE2 LYS A 6 -2.384 9.486 -10.073 1.00 71.41 H new ATOM 0 HE3 LYS A 6 -0.806 9.420 -10.834 1.00 71.41 H new ATOM 0 HZ1 LYS A 6 -2.118 7.471 -11.365 1.00 60.35 H new ATOM 0 HZ2 LYS A 6 -0.755 7.022 -10.457 1.00 60.35 H new ATOM 0 HZ3 LYS A 6 -2.284 7.086 -9.720 1.00 60.35 H new ATOM 118 N LEU A 7 -3.972 11.183 -4.846 1.00 62.22 N ATOM 119 CA LEU A 7 -5.300 11.723 -4.575 1.00 25.13 C ATOM 120 C LEU A 7 -5.223 12.890 -3.595 1.00 61.23 C ATOM 121 O LEU A 7 -5.906 13.900 -3.763 1.00 11.24 O ATOM 122 CB LEU A 7 -6.211 10.630 -4.014 1.00 12.24 C ATOM 123 CG LEU A 7 -7.585 10.500 -4.671 1.00 75.41 C ATOM 124 CD1 LEU A 7 -8.245 9.189 -4.273 1.00 33.43 C ATOM 125 CD2 LEU A 7 -8.470 11.680 -4.296 1.00 73.44 C ATOM 0 H LEU A 7 -3.840 10.217 -4.546 1.00 62.22 H new ATOM 0 HA LEU A 7 -5.716 12.088 -5.514 1.00 25.13 H new ATOM 0 HB2 LEU A 7 -5.696 9.674 -4.104 1.00 12.24 H new ATOM 0 HB3 LEU A 7 -6.355 10.816 -2.950 1.00 12.24 H new ATOM 0 HG LEU A 7 -7.451 10.502 -5.753 1.00 75.41 H new ATOM 0 HD11 LEU A 7 -9.222 9.114 -4.750 1.00 33.43 H new ATOM 0 HD12 LEU A 7 -7.620 8.355 -4.593 1.00 33.43 H new ATOM 0 HD13 LEU A 7 -8.367 9.157 -3.190 1.00 33.43 H new ATOM 0 HD21 LEU A 7 -9.444 11.570 -4.773 1.00 73.44 H new ATOM 0 HD22 LEU A 7 -8.597 11.710 -3.214 1.00 73.44 H new ATOM 0 HD23 LEU A 7 -8.004 12.606 -4.632 1.00 73.44 H new ATOM 137 N PHE A 8 -4.385 12.744 -2.574 1.00 14.12 N ATOM 138 CA PHE A 8 -4.218 13.786 -1.568 1.00 11.52 C ATOM 139 C PHE A 8 -3.679 15.068 -2.197 1.00 13.02 C ATOM 140 O PHE A 8 -4.240 16.148 -2.009 1.00 71.45 O ATOM 141 CB PHE A 8 -3.273 13.311 -0.462 1.00 60.05 C ATOM 142 CG PHE A 8 -3.973 12.982 0.825 1.00 75.43 C ATOM 143 CD1 PHE A 8 -4.869 11.926 0.891 1.00 2.20 C ATOM 144 CD2 PHE A 8 -3.736 13.727 1.968 1.00 14.03 C ATOM 145 CE1 PHE A 8 -5.515 11.622 2.074 1.00 33.40 C ATOM 146 CE2 PHE A 8 -4.380 13.427 3.154 1.00 24.13 C ATOM 147 CZ PHE A 8 -5.270 12.372 3.207 1.00 5.03 C ATOM 0 H PHE A 8 -3.811 11.915 -2.422 1.00 14.12 H new ATOM 0 HA PHE A 8 -5.196 13.997 -1.135 1.00 11.52 H new ATOM 0 HB2 PHE A 8 -2.735 12.429 -0.809 1.00 60.05 H new ATOM 0 HB3 PHE A 8 -2.529 14.085 -0.274 1.00 60.05 H new ATOM 0 HD1 PHE A 8 -5.064 11.335 0.008 1.00 2.20 H new ATOM 0 HD2 PHE A 8 -3.040 14.552 1.933 1.00 14.03 H new ATOM 0 HE1 PHE A 8 -6.212 10.798 2.112 1.00 33.40 H new ATOM 0 HE2 PHE A 8 -4.187 14.017 4.038 1.00 24.13 H new ATOM 0 HZ PHE A 8 -5.773 12.134 4.133 1.00 5.03 H new ATOM 157 N SER A 9 -2.587 14.940 -2.943 1.00 60.23 N ATOM 158 CA SER A 9 -1.969 16.087 -3.597 1.00 2.51 C ATOM 159 C SER A 9 -2.953 16.769 -4.543 1.00 2.12 C ATOM 160 O SER A 9 -3.154 17.982 -4.480 1.00 53.52 O ATOM 161 CB SER A 9 -0.722 15.651 -4.368 1.00 5.30 C ATOM 162 OG SER A 9 -0.145 16.742 -5.065 1.00 11.43 O ATOM 0 H SER A 9 -2.112 14.053 -3.110 1.00 60.23 H new ATOM 0 HA SER A 9 -1.679 16.801 -2.826 1.00 2.51 H new ATOM 0 HB2 SER A 9 0.008 15.230 -3.677 1.00 5.30 H new ATOM 0 HB3 SER A 9 -0.984 14.863 -5.074 1.00 5.30 H new ATOM 0 HG SER A 9 0.651 16.437 -5.548 1.00 11.43 H new ATOM 168 N THR A 10 -3.564 15.979 -5.420 1.00 53.43 N ATOM 169 CA THR A 10 -4.526 16.505 -6.381 1.00 34.23 C ATOM 170 C THR A 10 -5.625 17.296 -5.681 1.00 54.41 C ATOM 171 O THR A 10 -5.849 18.468 -5.985 1.00 30.32 O ATOM 172 CB THR A 10 -5.170 15.375 -7.207 1.00 4.11 C ATOM 173 OG1 THR A 10 -4.155 14.624 -7.882 1.00 71.54 O ATOM 174 CG2 THR A 10 -6.151 15.939 -8.223 1.00 12.21 C ATOM 0 H THR A 10 -3.410 14.973 -5.485 1.00 53.43 H new ATOM 0 HA THR A 10 -3.975 17.166 -7.050 1.00 34.23 H new ATOM 0 HB THR A 10 -5.714 14.721 -6.526 1.00 4.11 H new ATOM 0 HG1 THR A 10 -3.731 14.006 -7.251 1.00 71.54 H new ATOM 0 HG21 THR A 10 -6.593 15.123 -8.794 1.00 12.21 H new ATOM 0 HG22 THR A 10 -6.938 16.486 -7.704 1.00 12.21 H new ATOM 0 HG23 THR A 10 -5.626 16.613 -8.900 1.00 12.21 H new ATOM 182 N ALA A 11 -6.308 16.649 -4.742 1.00 53.24 N ATOM 183 CA ALA A 11 -7.382 17.294 -3.998 1.00 15.24 C ATOM 184 C ALA A 11 -6.904 18.593 -3.358 1.00 40.32 C ATOM 185 O ALA A 11 -7.517 19.647 -3.533 1.00 70.54 O ATOM 186 CB ALA A 11 -7.929 16.351 -2.936 1.00 41.11 C ATOM 0 H ALA A 11 -6.136 15.679 -4.479 1.00 53.24 H new ATOM 0 HA ALA A 11 -8.180 17.537 -4.699 1.00 15.24 H new ATOM 0 HB1 ALA A 11 -8.731 16.846 -2.388 1.00 41.11 H new ATOM 0 HB2 ALA A 11 -8.318 15.451 -3.413 1.00 41.11 H new ATOM 0 HB3 ALA A 11 -7.131 16.079 -2.245 1.00 41.11 H new ATOM 192 N LYS A 12 -5.805 18.512 -2.615 1.00 74.13 N ATOM 193 CA LYS A 12 -5.243 19.681 -1.949 1.00 72.13 C ATOM 194 C LYS A 12 -5.012 20.815 -2.943 1.00 72.32 C ATOM 195 O LYS A 12 -5.388 21.960 -2.693 1.00 1.13 O ATOM 196 CB LYS A 12 -3.926 19.317 -1.260 1.00 34.41 C ATOM 197 CG LYS A 12 -3.524 20.289 -0.165 1.00 1.02 C ATOM 198 CD LYS A 12 -2.505 19.674 0.780 1.00 44.32 C ATOM 199 CE LYS A 12 -2.664 20.207 2.195 1.00 11.34 C ATOM 200 NZ LYS A 12 -2.639 21.696 2.234 1.00 61.23 N ATOM 0 H LYS A 12 -5.286 17.648 -2.459 1.00 74.13 H new ATOM 0 HA LYS A 12 -5.958 20.019 -1.198 1.00 72.13 H new ATOM 0 HB2 LYS A 12 -4.013 18.318 -0.833 1.00 34.41 H new ATOM 0 HB3 LYS A 12 -3.134 19.277 -2.007 1.00 34.41 H new ATOM 0 HG2 LYS A 12 -3.108 21.191 -0.613 1.00 1.02 H new ATOM 0 HG3 LYS A 12 -4.408 20.591 0.397 1.00 1.02 H new ATOM 0 HD2 LYS A 12 -2.619 18.590 0.784 1.00 44.32 H new ATOM 0 HD3 LYS A 12 -1.498 19.888 0.421 1.00 44.32 H new ATOM 0 HE2 LYS A 12 -3.604 19.849 2.614 1.00 11.34 H new ATOM 0 HE3 LYS A 12 -1.864 19.814 2.823 1.00 11.34 H new ATOM 0 HZ1 LYS A 12 -2.545 22.016 3.219 1.00 61.23 H new ATOM 0 HZ2 LYS A 12 -1.832 22.044 1.679 1.00 61.23 H new ATOM 0 HZ3 LYS A 12 -3.523 22.069 1.832 1.00 61.23 H new ATOM 214 N LYS A 13 -4.393 20.488 -4.073 1.00 11.44 N ATOM 215 CA LYS A 13 -4.114 21.478 -5.106 1.00 53.14 C ATOM 216 C LYS A 13 -5.395 22.177 -5.550 1.00 74.14 C ATOM 217 O LYS A 13 -5.520 23.397 -5.438 1.00 50.20 O ATOM 218 CB LYS A 13 -3.440 20.814 -6.309 1.00 31.41 C ATOM 219 CG LYS A 13 -1.986 21.213 -6.488 1.00 25.41 C ATOM 220 CD LYS A 13 -1.128 20.027 -6.897 1.00 74.35 C ATOM 221 CE LYS A 13 -1.212 19.769 -8.394 1.00 44.22 C ATOM 222 NZ LYS A 13 -0.011 20.279 -9.112 1.00 63.23 N ATOM 0 H LYS A 13 -4.075 19.545 -4.296 1.00 11.44 H new ATOM 0 HA LYS A 13 -3.440 22.225 -4.686 1.00 53.14 H new ATOM 0 HB2 LYS A 13 -3.500 19.731 -6.197 1.00 31.41 H new ATOM 0 HB3 LYS A 13 -3.993 21.072 -7.212 1.00 31.41 H new ATOM 0 HG2 LYS A 13 -1.913 21.994 -7.245 1.00 25.41 H new ATOM 0 HG3 LYS A 13 -1.606 21.634 -5.557 1.00 25.41 H new ATOM 0 HD2 LYS A 13 -0.091 20.212 -6.616 1.00 74.35 H new ATOM 0 HD3 LYS A 13 -1.451 19.138 -6.355 1.00 74.35 H new ATOM 0 HE2 LYS A 13 -1.315 18.699 -8.573 1.00 44.22 H new ATOM 0 HE3 LYS A 13 -2.106 20.247 -8.796 1.00 44.22 H new ATOM 0 HZ1 LYS A 13 -0.106 20.084 -10.129 1.00 63.23 H new ATOM 0 HZ2 LYS A 13 0.074 21.305 -8.962 1.00 63.23 H new ATOM 0 HZ3 LYS A 13 0.839 19.805 -8.747 1.00 63.23 H new ATOM 236 N LEU A 14 -6.345 21.397 -6.054 1.00 34.45 N ATOM 237 CA LEU A 14 -7.619 21.941 -6.513 1.00 64.41 C ATOM 238 C LEU A 14 -8.257 22.814 -5.438 1.00 74.01 C ATOM 239 O LEU A 14 -8.809 23.874 -5.732 1.00 54.55 O ATOM 240 CB LEU A 14 -8.571 20.807 -6.898 1.00 0.11 C ATOM 241 CG LEU A 14 -8.836 20.631 -8.394 1.00 4.24 C ATOM 242 CD1 LEU A 14 -9.623 19.356 -8.650 1.00 70.30 C ATOM 243 CD2 LEU A 14 -9.576 21.839 -8.950 1.00 35.54 C ATOM 0 H LEU A 14 -6.257 20.386 -6.155 1.00 34.45 H new ATOM 0 HA LEU A 14 -7.427 22.559 -7.390 1.00 64.41 H new ATOM 0 HB2 LEU A 14 -8.167 19.873 -6.509 1.00 0.11 H new ATOM 0 HB3 LEU A 14 -9.525 20.975 -6.398 1.00 0.11 H new ATOM 0 HG LEU A 14 -7.878 20.550 -8.907 1.00 4.24 H new ATOM 0 HD11 LEU A 14 -9.802 19.248 -9.720 1.00 70.30 H new ATOM 0 HD12 LEU A 14 -9.055 18.499 -8.289 1.00 70.30 H new ATOM 0 HD13 LEU A 14 -10.577 19.406 -8.126 1.00 70.30 H new ATOM 0 HD21 LEU A 14 -9.756 21.697 -10.016 1.00 35.54 H new ATOM 0 HD22 LEU A 14 -10.529 21.952 -8.433 1.00 35.54 H new ATOM 0 HD23 LEU A 14 -8.974 22.735 -8.800 1.00 35.54 H new ATOM 255 N TYR A 15 -8.177 22.362 -4.191 1.00 42.55 N ATOM 256 CA TYR A 15 -8.747 23.102 -3.072 1.00 51.51 C ATOM 257 C TYR A 15 -8.138 24.498 -2.975 1.00 14.01 C ATOM 258 O TYR A 15 -8.848 25.503 -3.020 1.00 13.03 O ATOM 259 CB TYR A 15 -8.521 22.343 -1.764 1.00 14.24 C ATOM 260 CG TYR A 15 -8.969 23.105 -0.537 1.00 2.04 C ATOM 261 CD1 TYR A 15 -8.124 24.014 0.088 1.00 63.21 C ATOM 262 CD2 TYR A 15 -10.238 22.916 -0.002 1.00 44.42 C ATOM 263 CE1 TYR A 15 -8.528 24.711 1.210 1.00 52.35 C ATOM 264 CE2 TYR A 15 -10.651 23.611 1.118 1.00 32.33 C ATOM 265 CZ TYR A 15 -9.793 24.506 1.721 1.00 42.52 C ATOM 266 OH TYR A 15 -10.200 25.200 2.837 1.00 0.42 O ATOM 0 H TYR A 15 -7.723 21.487 -3.930 1.00 42.55 H new ATOM 0 HA TYR A 15 -9.818 23.204 -3.245 1.00 51.51 H new ATOM 0 HB2 TYR A 15 -9.055 21.394 -1.807 1.00 14.24 H new ATOM 0 HB3 TYR A 15 -7.461 22.108 -1.669 1.00 14.24 H new ATOM 0 HD1 TYR A 15 -7.134 24.178 -0.311 1.00 63.21 H new ATOM 0 HD2 TYR A 15 -10.912 22.214 -0.470 1.00 44.42 H new ATOM 0 HE1 TYR A 15 -7.858 25.412 1.684 1.00 52.35 H new ATOM 0 HE2 TYR A 15 -11.641 23.454 1.519 1.00 32.33 H new ATOM 0 HH TYR A 15 -11.117 24.941 3.067 1.00 0.42 H new ATOM 276 N LYS A 16 -6.817 24.552 -2.842 1.00 55.10 N ATOM 277 CA LYS A 16 -6.110 25.823 -2.740 1.00 64.23 C ATOM 278 C LYS A 16 -6.334 26.672 -3.987 1.00 63.25 C ATOM 279 O LYS A 16 -6.743 27.830 -3.898 1.00 22.41 O ATOM 280 CB LYS A 16 -4.612 25.581 -2.537 1.00 52.12 C ATOM 281 CG LYS A 16 -4.102 26.030 -1.179 1.00 34.34 C ATOM 282 CD LYS A 16 -4.293 27.524 -0.977 1.00 61.31 C ATOM 283 CE LYS A 16 -3.527 28.328 -2.016 1.00 54.44 C ATOM 284 NZ LYS A 16 -2.872 29.524 -1.419 1.00 4.40 N ATOM 0 H LYS A 16 -6.214 23.730 -2.802 1.00 55.10 H new ATOM 0 HA LYS A 16 -6.505 26.362 -1.879 1.00 64.23 H new ATOM 0 HB2 LYS A 16 -4.404 24.518 -2.661 1.00 52.12 H new ATOM 0 HB3 LYS A 16 -4.059 26.107 -3.315 1.00 52.12 H new ATOM 0 HG2 LYS A 16 -4.627 25.486 -0.394 1.00 34.34 H new ATOM 0 HG3 LYS A 16 -3.045 25.782 -1.086 1.00 34.34 H new ATOM 0 HD2 LYS A 16 -5.354 27.768 -1.036 1.00 61.31 H new ATOM 0 HD3 LYS A 16 -3.957 27.803 0.022 1.00 61.31 H new ATOM 0 HE2 LYS A 16 -2.772 27.694 -2.481 1.00 54.44 H new ATOM 0 HE3 LYS A 16 -4.209 28.644 -2.806 1.00 54.44 H new ATOM 0 HZ1 LYS A 16 -2.360 30.045 -2.159 1.00 4.40 H new ATOM 0 HZ2 LYS A 16 -3.595 30.142 -0.997 1.00 4.40 H new ATOM 0 HZ3 LYS A 16 -2.203 29.222 -0.683 1.00 4.40 H new ATOM 298 N LYS A 17 -6.065 26.089 -5.151 1.00 25.13 N ATOM 299 CA LYS A 17 -6.239 26.790 -6.417 1.00 51.11 C ATOM 300 C LYS A 17 -7.645 27.372 -6.528 1.00 22.15 C ATOM 301 O LYS A 17 -7.826 28.499 -6.986 1.00 74.00 O ATOM 302 CB LYS A 17 -5.974 25.842 -7.589 1.00 54.52 C ATOM 303 CG LYS A 17 -4.501 25.680 -7.919 1.00 43.44 C ATOM 304 CD LYS A 17 -4.243 25.834 -9.409 1.00 61.20 C ATOM 305 CE LYS A 17 -3.099 24.944 -9.871 1.00 40.32 C ATOM 306 NZ LYS A 17 -2.314 25.575 -10.968 1.00 52.14 N ATOM 0 H LYS A 17 -5.725 25.132 -5.243 1.00 25.13 H new ATOM 0 HA LYS A 17 -5.522 27.610 -6.451 1.00 51.11 H new ATOM 0 HB2 LYS A 17 -6.395 24.864 -7.357 1.00 54.52 H new ATOM 0 HB3 LYS A 17 -6.497 26.213 -8.471 1.00 54.52 H new ATOM 0 HG2 LYS A 17 -3.921 26.421 -7.370 1.00 43.44 H new ATOM 0 HG3 LYS A 17 -4.159 24.699 -7.589 1.00 43.44 H new ATOM 0 HD2 LYS A 17 -5.147 25.584 -9.964 1.00 61.20 H new ATOM 0 HD3 LYS A 17 -4.009 26.875 -9.633 1.00 61.20 H new ATOM 0 HE2 LYS A 17 -2.441 24.732 -9.029 1.00 40.32 H new ATOM 0 HE3 LYS A 17 -3.497 23.989 -10.212 1.00 40.32 H new ATOM 0 HZ1 LYS A 17 -1.544 24.938 -11.255 1.00 52.14 H new ATOM 0 HZ2 LYS A 17 -2.936 25.754 -11.782 1.00 52.14 H new ATOM 0 HZ3 LYS A 17 -1.913 26.475 -10.635 1.00 52.14 H new ATOM 320 N GLY A 18 -8.637 26.595 -6.103 1.00 11.44 N ATOM 321 CA GLY A 18 -10.013 27.052 -6.161 1.00 74.23 C ATOM 322 C GLY A 18 -10.267 28.246 -5.263 1.00 41.42 C ATOM 323 O GLY A 18 -10.780 29.272 -5.711 1.00 74.10 O ATOM 0 H GLY A 18 -8.512 25.658 -5.720 1.00 11.44 H new ATOM 0 HA2 GLY A 18 -10.262 27.315 -7.189 1.00 74.23 H new ATOM 0 HA3 GLY A 18 -10.676 26.236 -5.872 1.00 74.23 H new ATOM 327 N LYS A 19 -9.908 28.115 -3.991 1.00 21.43 N ATOM 328 CA LYS A 19 -10.099 29.191 -3.026 1.00 31.11 C ATOM 329 C LYS A 19 -9.461 30.485 -3.521 1.00 14.11 C ATOM 330 O LYS A 19 -10.130 31.512 -3.643 1.00 62.22 O ATOM 331 CB LYS A 19 -9.503 28.801 -1.671 1.00 44.55 C ATOM 332 CG LYS A 19 -10.239 29.402 -0.487 1.00 13.51 C ATOM 333 CD LYS A 19 -9.374 30.406 0.257 1.00 52.01 C ATOM 334 CE LYS A 19 -8.797 29.808 1.531 1.00 65.15 C ATOM 335 NZ LYS A 19 -9.864 29.376 2.475 1.00 53.44 N ATOM 0 H LYS A 19 -9.482 27.273 -3.604 1.00 21.43 H new ATOM 0 HA LYS A 19 -11.170 29.356 -2.910 1.00 31.11 H new ATOM 0 HB2 LYS A 19 -9.511 27.715 -1.579 1.00 44.55 H new ATOM 0 HB3 LYS A 19 -8.460 29.116 -1.638 1.00 44.55 H new ATOM 0 HG2 LYS A 19 -11.149 29.891 -0.834 1.00 13.51 H new ATOM 0 HG3 LYS A 19 -10.544 28.608 0.194 1.00 13.51 H new ATOM 0 HD2 LYS A 19 -8.562 30.739 -0.390 1.00 52.01 H new ATOM 0 HD3 LYS A 19 -9.967 31.287 0.503 1.00 52.01 H new ATOM 0 HE2 LYS A 19 -8.168 28.954 1.279 1.00 65.15 H new ATOM 0 HE3 LYS A 19 -8.156 30.543 2.019 1.00 65.15 H new ATOM 0 HZ1 LYS A 19 -9.530 29.491 3.453 1.00 53.44 H new ATOM 0 HZ2 LYS A 19 -10.713 29.958 2.329 1.00 53.44 H new ATOM 0 HZ3 LYS A 19 -10.095 28.377 2.304 1.00 53.44 H new ATOM 349 N LYS A 20 -8.165 30.429 -3.806 1.00 2.10 N ATOM 350 CA LYS A 20 -7.436 31.595 -4.291 1.00 14.53 C ATOM 351 C LYS A 20 -8.082 32.153 -5.555 1.00 63.04 C ATOM 352 O LYS A 20 -8.007 33.352 -5.826 1.00 0.41 O ATOM 353 CB LYS A 20 -5.976 31.231 -4.568 1.00 52.33 C ATOM 354 CG LYS A 20 -5.712 30.836 -6.011 1.00 24.12 C ATOM 355 CD LYS A 20 -5.377 32.045 -6.868 1.00 41.00 C ATOM 356 CE LYS A 20 -4.036 31.879 -7.567 1.00 73.20 C ATOM 357 NZ LYS A 20 -3.369 33.188 -7.806 1.00 11.52 N ATOM 0 H LYS A 20 -7.597 29.587 -3.709 1.00 2.10 H new ATOM 0 HA LYS A 20 -7.471 32.362 -3.518 1.00 14.53 H new ATOM 0 HB2 LYS A 20 -5.343 32.080 -4.311 1.00 52.33 H new ATOM 0 HB3 LYS A 20 -5.685 30.408 -3.915 1.00 52.33 H new ATOM 0 HG2 LYS A 20 -4.889 30.123 -6.049 1.00 24.12 H new ATOM 0 HG3 LYS A 20 -6.589 30.333 -6.418 1.00 24.12 H new ATOM 0 HD2 LYS A 20 -6.160 32.193 -7.612 1.00 41.00 H new ATOM 0 HD3 LYS A 20 -5.355 32.939 -6.245 1.00 41.00 H new ATOM 0 HE2 LYS A 20 -3.387 31.246 -6.962 1.00 73.20 H new ATOM 0 HE3 LYS A 20 -4.183 31.368 -8.518 1.00 73.20 H new ATOM 0 HZ1 LYS A 20 -2.459 33.032 -8.284 1.00 11.52 H new ATOM 0 HZ2 LYS A 20 -3.977 33.783 -8.405 1.00 11.52 H new ATOM 0 HZ3 LYS A 20 -3.205 33.665 -6.897 1.00 11.52 H new ATOM 371 N LEU A 21 -8.716 31.276 -6.326 1.00 41.41 N ATOM 372 CA LEU A 21 -9.376 31.682 -7.562 1.00 72.43 C ATOM 373 C LEU A 21 -10.765 32.245 -7.278 1.00 41.24 C ATOM 374 O LEU A 21 -11.346 32.940 -8.112 1.00 31.10 O ATOM 375 CB LEU A 21 -9.482 30.494 -8.520 1.00 65.34 C ATOM 376 CG LEU A 21 -9.914 30.821 -9.950 1.00 34.10 C ATOM 377 CD1 LEU A 21 -9.288 29.845 -10.934 1.00 20.01 C ATOM 378 CD2 LEU A 21 -11.431 30.798 -10.066 1.00 55.32 C ATOM 0 H LEU A 21 -8.787 30.280 -6.117 1.00 41.41 H new ATOM 0 HA LEU A 21 -8.775 32.464 -8.026 1.00 72.43 H new ATOM 0 HB2 LEU A 21 -8.513 29.997 -8.559 1.00 65.34 H new ATOM 0 HB3 LEU A 21 -10.190 29.778 -8.102 1.00 65.34 H new ATOM 0 HG LEU A 21 -9.565 31.824 -10.194 1.00 34.10 H new ATOM 0 HD11 LEU A 21 -9.607 30.094 -11.946 1.00 20.01 H new ATOM 0 HD12 LEU A 21 -8.202 29.910 -10.870 1.00 20.01 H new ATOM 0 HD13 LEU A 21 -9.606 28.831 -10.692 1.00 20.01 H new ATOM 0 HD21 LEU A 21 -11.721 31.033 -11.090 1.00 55.32 H new ATOM 0 HD22 LEU A 21 -11.801 29.807 -9.802 1.00 55.32 H new ATOM 0 HD23 LEU A 21 -11.859 31.537 -9.389 1.00 55.32 H new ATOM 390 N SER A 22 -11.290 31.943 -6.095 1.00 72.25 N ATOM 391 CA SER A 22 -12.611 32.418 -5.702 1.00 35.12 C ATOM 392 C SER A 22 -12.667 33.943 -5.715 1.00 62.53 C ATOM 393 O SER A 22 -13.731 34.536 -5.891 1.00 33.31 O ATOM 394 CB SER A 22 -12.971 31.896 -4.309 1.00 64.45 C ATOM 395 OG SER A 22 -12.772 32.894 -3.323 1.00 64.44 O ATOM 0 H SER A 22 -10.821 31.372 -5.392 1.00 72.25 H new ATOM 0 HA SER A 22 -13.335 32.039 -6.423 1.00 35.12 H new ATOM 0 HB2 SER A 22 -14.011 31.571 -4.297 1.00 64.45 H new ATOM 0 HB3 SER A 22 -12.361 31.023 -4.076 1.00 64.45 H new ATOM 0 HG SER A 22 -11.839 32.877 -3.024 1.00 64.44 H new ATOM 401 N LYS A 23 -11.512 34.572 -5.529 1.00 25.25 N ATOM 402 CA LYS A 23 -11.425 36.027 -5.520 1.00 12.31 C ATOM 403 C LYS A 23 -11.762 36.600 -6.893 1.00 2.41 C ATOM 404 O LYS A 23 -12.078 37.782 -7.022 1.00 1.33 O ATOM 405 CB LYS A 23 -10.023 36.473 -5.099 1.00 41.03 C ATOM 406 CG LYS A 23 -8.969 36.260 -6.173 1.00 15.13 C ATOM 407 CD LYS A 23 -7.566 36.300 -5.592 1.00 62.21 C ATOM 408 CE LYS A 23 -7.199 37.697 -5.116 1.00 41.11 C ATOM 409 NZ LYS A 23 -6.196 37.663 -4.016 1.00 64.22 N ATOM 0 H LYS A 23 -10.622 34.096 -5.382 1.00 25.25 H new ATOM 0 HA LYS A 23 -12.150 36.405 -4.800 1.00 12.31 H new ATOM 0 HB2 LYS A 23 -10.051 37.530 -4.834 1.00 41.03 H new ATOM 0 HB3 LYS A 23 -9.731 35.927 -4.202 1.00 41.03 H new ATOM 0 HG2 LYS A 23 -9.134 35.300 -6.661 1.00 15.13 H new ATOM 0 HG3 LYS A 23 -9.069 37.029 -6.939 1.00 15.13 H new ATOM 0 HD2 LYS A 23 -7.496 35.601 -4.759 1.00 62.21 H new ATOM 0 HD3 LYS A 23 -6.850 35.971 -6.345 1.00 62.21 H new ATOM 0 HE2 LYS A 23 -6.802 38.273 -5.952 1.00 41.11 H new ATOM 0 HE3 LYS A 23 -8.097 38.211 -4.773 1.00 41.11 H new ATOM 0 HZ1 LYS A 23 -5.973 38.635 -3.720 1.00 64.22 H new ATOM 0 HZ2 LYS A 23 -6.584 37.135 -3.208 1.00 64.22 H new ATOM 0 HZ3 LYS A 23 -5.330 37.195 -4.351 1.00 64.22 H new ATOM 423 N ASN A 24 -11.693 35.754 -7.915 1.00 40.24 N ATOM 424 CA ASN A 24 -11.992 36.177 -9.279 1.00 4.11 C ATOM 425 C ASN A 24 -13.469 36.529 -9.428 1.00 64.22 C ATOM 426 O ASN A 24 -14.197 36.632 -8.441 1.00 21.42 O ATOM 427 CB ASN A 24 -11.616 35.075 -10.271 1.00 25.41 C ATOM 428 CG ASN A 24 -11.034 35.628 -11.557 1.00 44.12 C ATOM 429 OD1 ASN A 24 -11.556 35.382 -12.644 1.00 71.04 O ATOM 430 ND2 ASN A 24 -9.946 36.380 -11.439 1.00 3.33 N ATOM 0 H ASN A 24 -11.433 34.772 -7.825 1.00 40.24 H new ATOM 0 HA ASN A 24 -11.401 37.067 -9.494 1.00 4.11 H new ATOM 0 HB2 ASN A 24 -10.893 34.404 -9.807 1.00 25.41 H new ATOM 0 HB3 ASN A 24 -12.500 34.481 -10.502 1.00 25.41 H new ATOM 0 HD21 ASN A 24 -9.510 36.780 -12.270 1.00 3.33 H new ATOM 0 HD22 ASN A 24 -9.547 36.558 -10.517 1.00 3.33 H new ATOM 437 N LYS A 25 -13.905 36.712 -10.670 1.00 21.12 N ATOM 438 CA LYS A 25 -15.295 37.050 -10.951 1.00 11.24 C ATOM 439 C LYS A 25 -16.171 35.801 -10.946 1.00 43.20 C ATOM 440 O LYS A 25 -17.397 35.892 -10.913 1.00 70.13 O ATOM 441 CB LYS A 25 -15.406 37.759 -12.303 1.00 21.34 C ATOM 442 CG LYS A 25 -14.930 36.915 -13.472 1.00 73.44 C ATOM 443 CD LYS A 25 -16.097 36.309 -14.234 1.00 34.43 C ATOM 444 CE LYS A 25 -15.642 35.674 -15.539 1.00 51.20 C ATOM 445 NZ LYS A 25 -15.762 36.617 -16.685 1.00 40.14 N ATOM 0 H LYS A 25 -13.315 36.632 -11.498 1.00 21.12 H new ATOM 0 HA LYS A 25 -15.645 37.721 -10.166 1.00 11.24 H new ATOM 0 HB2 LYS A 25 -16.445 38.044 -12.470 1.00 21.34 H new ATOM 0 HB3 LYS A 25 -14.824 38.680 -12.270 1.00 21.34 H new ATOM 0 HG2 LYS A 25 -14.334 37.529 -14.146 1.00 73.44 H new ATOM 0 HG3 LYS A 25 -14.280 36.120 -13.107 1.00 73.44 H new ATOM 0 HD2 LYS A 25 -16.587 35.558 -13.614 1.00 34.43 H new ATOM 0 HD3 LYS A 25 -16.837 37.082 -14.443 1.00 34.43 H new ATOM 0 HE2 LYS A 25 -14.606 35.349 -15.443 1.00 51.20 H new ATOM 0 HE3 LYS A 25 -16.239 34.784 -15.737 1.00 51.20 H new ATOM 0 HZ1 LYS A 25 -15.442 36.147 -17.556 1.00 40.14 H new ATOM 0 HZ2 LYS A 25 -16.755 36.908 -16.793 1.00 40.14 H new ATOM 0 HZ3 LYS A 25 -15.173 37.456 -16.508 1.00 40.14 H new ATOM 459 N ASN A 26 -15.532 34.636 -10.977 1.00 41.15 N ATOM 460 CA ASN A 26 -16.253 33.369 -10.976 1.00 33.31 C ATOM 461 C ASN A 26 -17.266 33.320 -9.836 1.00 1.53 C ATOM 462 O ASN A 26 -18.368 32.793 -9.991 1.00 45.23 O ATOM 463 CB ASN A 26 -15.273 32.200 -10.852 1.00 52.32 C ATOM 464 CG ASN A 26 -14.535 31.925 -12.148 1.00 75.23 C ATOM 465 OD1 ASN A 26 -13.406 32.376 -12.341 1.00 14.13 O ATOM 466 ND2 ASN A 26 -15.173 31.181 -13.045 1.00 25.42 N ATOM 0 H ASN A 26 -14.517 34.543 -11.003 1.00 41.15 H new ATOM 0 HA ASN A 26 -16.791 33.285 -11.920 1.00 33.31 H new ATOM 0 HB2 ASN A 26 -14.551 32.417 -10.065 1.00 52.32 H new ATOM 0 HB3 ASN A 26 -15.816 31.305 -10.549 1.00 52.32 H new ATOM 0 HD21 ASN A 26 -14.727 30.963 -13.936 1.00 25.42 H new ATOM 0 HD22 ASN A 26 -16.108 30.828 -12.842 1.00 25.42 H new ATOM 473 N PHE A 27 -16.885 33.875 -8.690 1.00 10.03 N ATOM 474 CA PHE A 27 -17.759 33.895 -7.523 1.00 11.44 C ATOM 475 C PHE A 27 -19.000 34.742 -7.787 1.00 54.44 C ATOM 476 O PHE A 27 -20.119 34.346 -7.458 1.00 43.15 O ATOM 477 CB PHE A 27 -17.007 34.438 -6.306 1.00 14.45 C ATOM 478 CG PHE A 27 -17.322 33.708 -5.031 1.00 73.15 C ATOM 479 CD1 PHE A 27 -18.448 34.032 -4.291 1.00 42.14 C ATOM 480 CD2 PHE A 27 -16.492 32.697 -4.574 1.00 13.23 C ATOM 481 CE1 PHE A 27 -18.741 33.361 -3.119 1.00 3.53 C ATOM 482 CE2 PHE A 27 -16.780 32.023 -3.402 1.00 72.12 C ATOM 483 CZ PHE A 27 -17.905 32.356 -2.673 1.00 50.31 C ATOM 0 H PHE A 27 -15.977 34.317 -8.545 1.00 10.03 H new ATOM 0 HA PHE A 27 -18.076 32.872 -7.320 1.00 11.44 H new ATOM 0 HB2 PHE A 27 -15.935 34.377 -6.495 1.00 14.45 H new ATOM 0 HB3 PHE A 27 -17.249 35.493 -6.180 1.00 14.45 H new ATOM 0 HD1 PHE A 27 -19.104 34.818 -4.634 1.00 42.14 H new ATOM 0 HD2 PHE A 27 -15.611 32.433 -5.140 1.00 13.23 H new ATOM 0 HE1 PHE A 27 -19.623 33.622 -2.552 1.00 3.53 H new ATOM 0 HE2 PHE A 27 -16.126 31.236 -3.056 1.00 72.12 H new ATOM 0 HZ PHE A 27 -18.130 31.832 -1.756 1.00 50.31 H new ATOM 493 N LYS A 28 -18.795 35.912 -8.384 1.00 30.21 N ATOM 494 CA LYS A 28 -19.895 36.816 -8.695 1.00 15.43 C ATOM 495 C LYS A 28 -20.933 36.129 -9.577 1.00 25.21 C ATOM 496 O LYS A 28 -22.126 36.138 -9.273 1.00 44.13 O ATOM 497 CB LYS A 28 -19.369 38.072 -9.393 1.00 2.44 C ATOM 498 CG LYS A 28 -18.582 38.993 -8.476 1.00 14.23 C ATOM 499 CD LYS A 28 -19.432 39.484 -7.316 1.00 34.02 C ATOM 500 CE LYS A 28 -18.789 40.671 -6.616 1.00 44.22 C ATOM 501 NZ LYS A 28 -19.703 41.845 -6.561 1.00 51.20 N ATOM 0 H LYS A 28 -17.876 36.256 -8.662 1.00 30.21 H new ATOM 0 HA LYS A 28 -20.372 37.101 -7.758 1.00 15.43 H new ATOM 0 HB2 LYS A 28 -18.734 37.775 -10.228 1.00 2.44 H new ATOM 0 HB3 LYS A 28 -20.210 38.623 -9.813 1.00 2.44 H new ATOM 0 HG2 LYS A 28 -17.709 38.466 -8.091 1.00 14.23 H new ATOM 0 HG3 LYS A 28 -18.213 39.846 -9.045 1.00 14.23 H new ATOM 0 HD2 LYS A 28 -20.419 39.767 -7.681 1.00 34.02 H new ATOM 0 HD3 LYS A 28 -19.577 38.674 -6.601 1.00 34.02 H new ATOM 0 HE2 LYS A 28 -18.504 40.385 -5.603 1.00 44.22 H new ATOM 0 HE3 LYS A 28 -17.873 40.948 -7.138 1.00 44.22 H new ATOM 0 HZ1 LYS A 28 -19.227 42.633 -6.076 1.00 51.20 H new ATOM 0 HZ2 LYS A 28 -19.955 42.135 -7.528 1.00 51.20 H new ATOM 0 HZ3 LYS A 28 -20.566 41.589 -6.040 1.00 51.20 H new ATOM 515 N LYS A 29 -20.470 35.532 -10.670 1.00 70.50 N ATOM 516 CA LYS A 29 -21.356 34.836 -11.596 1.00 14.13 C ATOM 517 C LYS A 29 -22.082 33.690 -10.897 1.00 45.14 C ATOM 518 O LYS A 29 -23.310 33.614 -10.921 1.00 5.52 O ATOM 519 CB LYS A 29 -20.562 34.300 -12.789 1.00 32.43 C ATOM 520 CG LYS A 29 -21.358 34.262 -14.082 1.00 32.43 C ATOM 521 CD LYS A 29 -20.595 34.908 -15.226 1.00 22.23 C ATOM 522 CE LYS A 29 -21.538 35.481 -16.272 1.00 34.10 C ATOM 523 NZ LYS A 29 -20.948 35.432 -17.638 1.00 63.51 N ATOM 0 H LYS A 29 -19.486 35.516 -10.936 1.00 70.50 H new ATOM 0 HA LYS A 29 -22.099 35.549 -11.954 1.00 14.13 H new ATOM 0 HB2 LYS A 29 -19.678 34.921 -12.935 1.00 32.43 H new ATOM 0 HB3 LYS A 29 -20.211 33.294 -12.559 1.00 32.43 H new ATOM 0 HG2 LYS A 29 -21.591 33.228 -14.337 1.00 32.43 H new ATOM 0 HG3 LYS A 29 -22.308 34.777 -13.941 1.00 32.43 H new ATOM 0 HD2 LYS A 29 -19.957 35.701 -14.837 1.00 22.23 H new ATOM 0 HD3 LYS A 29 -19.940 34.171 -15.690 1.00 22.23 H new ATOM 0 HE2 LYS A 29 -22.474 34.923 -16.261 1.00 34.10 H new ATOM 0 HE3 LYS A 29 -21.779 36.513 -16.017 1.00 34.10 H new ATOM 0 HZ1 LYS A 29 -21.622 35.832 -18.322 1.00 63.51 H new ATOM 0 HZ2 LYS A 29 -20.067 35.985 -17.656 1.00 63.51 H new ATOM 0 HZ3 LYS A 29 -20.742 34.445 -17.892 1.00 63.51 H new ATOM 537 N ALA A 30 -21.313 32.801 -10.276 1.00 15.31 N ATOM 538 CA ALA A 30 -21.883 31.662 -9.568 1.00 74.41 C ATOM 539 C ALA A 30 -22.926 32.113 -8.551 1.00 22.44 C ATOM 540 O ALA A 30 -24.050 31.610 -8.534 1.00 31.44 O ATOM 541 CB ALA A 30 -20.785 30.863 -8.882 1.00 43.04 C ATOM 0 H ALA A 30 -20.294 32.848 -10.249 1.00 15.31 H new ATOM 0 HA ALA A 30 -22.379 31.023 -10.299 1.00 74.41 H new ATOM 0 HB1 ALA A 30 -21.226 30.015 -8.357 1.00 43.04 H new ATOM 0 HB2 ALA A 30 -20.078 30.500 -9.629 1.00 43.04 H new ATOM 0 HB3 ALA A 30 -20.263 31.500 -8.168 1.00 43.04 H new ATOM 547 N LEU A 31 -22.546 33.063 -7.703 1.00 72.34 N ATOM 548 CA LEU A 31 -23.449 33.582 -6.681 1.00 65.43 C ATOM 549 C LEU A 31 -24.757 34.059 -7.302 1.00 54.31 C ATOM 550 O LEU A 31 -25.831 33.548 -6.984 1.00 13.33 O ATOM 551 CB LEU A 31 -22.783 34.730 -5.920 1.00 62.53 C ATOM 552 CG LEU A 31 -23.609 35.360 -4.799 1.00 32.44 C ATOM 553 CD1 LEU A 31 -23.781 34.380 -3.648 1.00 12.42 C ATOM 554 CD2 LEU A 31 -22.957 36.646 -4.314 1.00 1.13 C ATOM 0 H LEU A 31 -21.619 33.489 -7.703 1.00 72.34 H new ATOM 0 HA LEU A 31 -23.673 32.774 -5.984 1.00 65.43 H new ATOM 0 HB2 LEU A 31 -21.849 34.363 -5.494 1.00 62.53 H new ATOM 0 HB3 LEU A 31 -22.523 35.510 -6.635 1.00 62.53 H new ATOM 0 HG LEU A 31 -24.596 35.603 -5.193 1.00 32.44 H new ATOM 0 HD11 LEU A 31 -24.372 34.846 -2.859 1.00 12.42 H new ATOM 0 HD12 LEU A 31 -24.293 33.486 -4.005 1.00 12.42 H new ATOM 0 HD13 LEU A 31 -22.802 34.105 -3.255 1.00 12.42 H new ATOM 0 HD21 LEU A 31 -23.559 37.081 -3.516 1.00 1.13 H new ATOM 0 HD22 LEU A 31 -21.958 36.428 -3.937 1.00 1.13 H new ATOM 0 HD23 LEU A 31 -22.886 37.353 -5.141 1.00 1.13 H new ATOM 566 N LYS A 32 -24.660 35.041 -8.192 1.00 13.43 N ATOM 567 CA LYS A 32 -25.835 35.587 -8.861 1.00 72.11 C ATOM 568 C LYS A 32 -26.667 34.475 -9.492 1.00 34.13 C ATOM 569 O LYS A 32 -27.890 34.443 -9.348 1.00 42.11 O ATOM 570 CB LYS A 32 -25.415 36.595 -9.933 1.00 62.54 C ATOM 571 CG LYS A 32 -25.506 38.041 -9.478 1.00 73.34 C ATOM 572 CD LYS A 32 -24.483 38.913 -10.185 1.00 43.50 C ATOM 573 CE LYS A 32 -24.345 40.269 -9.510 1.00 12.43 C ATOM 574 NZ LYS A 32 -25.514 41.149 -9.789 1.00 43.33 N ATOM 0 H LYS A 32 -23.779 35.475 -8.467 1.00 13.43 H new ATOM 0 HA LYS A 32 -26.445 36.094 -8.113 1.00 72.11 H new ATOM 0 HB2 LYS A 32 -24.390 36.383 -10.238 1.00 62.54 H new ATOM 0 HB3 LYS A 32 -26.044 36.460 -10.813 1.00 62.54 H new ATOM 0 HG2 LYS A 32 -26.508 38.423 -9.674 1.00 73.34 H new ATOM 0 HG3 LYS A 32 -25.349 38.095 -8.401 1.00 73.34 H new ATOM 0 HD2 LYS A 32 -23.517 38.409 -10.192 1.00 43.50 H new ATOM 0 HD3 LYS A 32 -24.778 39.051 -11.225 1.00 43.50 H new ATOM 0 HE2 LYS A 32 -24.244 40.130 -8.434 1.00 12.43 H new ATOM 0 HE3 LYS A 32 -23.433 40.756 -9.856 1.00 12.43 H new ATOM 0 HZ1 LYS A 32 -25.382 42.063 -9.312 1.00 43.33 H new ATOM 0 HZ2 LYS A 32 -25.596 41.302 -10.814 1.00 43.33 H new ATOM 0 HZ3 LYS A 32 -26.381 40.696 -9.436 1.00 43.33 H new ATOM 588 N PHE A 33 -25.997 33.564 -10.189 1.00 74.43 N ATOM 589 CA PHE A 33 -26.675 32.449 -10.841 1.00 54.44 C ATOM 590 C PHE A 33 -27.581 31.713 -9.858 1.00 44.02 C ATOM 591 O PHE A 33 -28.792 31.628 -10.057 1.00 23.43 O ATOM 592 CB PHE A 33 -25.652 31.479 -11.435 1.00 71.00 C ATOM 593 CG PHE A 33 -26.157 30.738 -12.640 1.00 14.11 C ATOM 594 CD1 PHE A 33 -27.349 30.033 -12.587 1.00 10.04 C ATOM 595 CD2 PHE A 33 -25.441 30.747 -13.826 1.00 12.11 C ATOM 596 CE1 PHE A 33 -27.816 29.350 -13.694 1.00 23.24 C ATOM 597 CE2 PHE A 33 -25.903 30.066 -14.936 1.00 71.04 C ATOM 598 CZ PHE A 33 -27.093 29.367 -14.870 1.00 45.33 C ATOM 0 H PHE A 33 -24.985 33.575 -10.317 1.00 74.43 H new ATOM 0 HA PHE A 33 -27.292 32.851 -11.644 1.00 54.44 H new ATOM 0 HB2 PHE A 33 -24.754 32.033 -11.709 1.00 71.00 H new ATOM 0 HB3 PHE A 33 -25.361 30.758 -10.671 1.00 71.00 H new ATOM 0 HD1 PHE A 33 -27.920 30.017 -11.670 1.00 10.04 H new ATOM 0 HD2 PHE A 33 -24.511 31.293 -13.884 1.00 12.11 H new ATOM 0 HE1 PHE A 33 -28.746 28.803 -13.639 1.00 23.24 H new ATOM 0 HE2 PHE A 33 -25.335 30.080 -15.854 1.00 71.04 H new ATOM 0 HZ PHE A 33 -27.457 28.835 -15.737 1.00 45.33 H new ATOM 608 N GLY A 34 -26.983 31.182 -8.796 1.00 65.41 N ATOM 609 CA GLY A 34 -27.748 30.459 -7.798 1.00 35.42 C ATOM 610 C GLY A 34 -28.793 31.328 -7.126 1.00 43.43 C ATOM 611 O GLY A 34 -29.955 30.939 -7.009 1.00 63.43 O ATOM 0 H GLY A 34 -25.982 31.240 -8.609 1.00 65.41 H new ATOM 0 HA2 GLY A 34 -28.237 29.606 -8.268 1.00 35.42 H new ATOM 0 HA3 GLY A 34 -27.070 30.062 -7.043 1.00 35.42 H new ATOM 615 N LYS A 35 -28.379 32.510 -6.682 1.00 0.21 N ATOM 616 CA LYS A 35 -29.286 33.439 -6.018 1.00 31.44 C ATOM 617 C LYS A 35 -30.539 33.668 -6.856 1.00 54.51 C ATOM 618 O LYS A 35 -31.651 33.370 -6.421 1.00 20.14 O ATOM 619 CB LYS A 35 -28.583 34.772 -5.757 1.00 5.44 C ATOM 620 CG LYS A 35 -29.114 35.513 -4.541 1.00 64.52 C ATOM 621 CD LYS A 35 -28.739 36.985 -4.577 1.00 61.31 C ATOM 622 CE LYS A 35 -29.928 37.871 -4.238 1.00 23.22 C ATOM 623 NZ LYS A 35 -29.555 39.312 -4.212 1.00 55.55 N ATOM 0 H LYS A 35 -27.420 32.847 -6.770 1.00 0.21 H new ATOM 0 HA LYS A 35 -29.583 33.000 -5.066 1.00 31.44 H new ATOM 0 HB2 LYS A 35 -27.516 34.591 -5.624 1.00 5.44 H new ATOM 0 HB3 LYS A 35 -28.691 35.408 -6.635 1.00 5.44 H new ATOM 0 HG2 LYS A 35 -30.199 35.414 -4.498 1.00 64.52 H new ATOM 0 HG3 LYS A 35 -28.717 35.057 -3.634 1.00 64.52 H new ATOM 0 HD2 LYS A 35 -27.931 37.173 -3.871 1.00 61.31 H new ATOM 0 HD3 LYS A 35 -28.363 37.242 -5.567 1.00 61.31 H new ATOM 0 HE2 LYS A 35 -30.719 37.714 -4.971 1.00 23.22 H new ATOM 0 HE3 LYS A 35 -30.331 37.582 -3.267 1.00 23.22 H new ATOM 0 HZ1 LYS A 35 -30.392 39.883 -3.977 1.00 55.55 H new ATOM 0 HZ2 LYS A 35 -28.818 39.467 -3.495 1.00 55.55 H new ATOM 0 HZ3 LYS A 35 -29.194 39.594 -5.146 1.00 55.55 H new ATOM 637 N GLN A 36 -30.351 34.199 -8.060 1.00 54.20 N ATOM 638 CA GLN A 36 -31.468 34.468 -8.959 1.00 23.42 C ATOM 639 C GLN A 36 -32.296 33.208 -9.190 1.00 23.23 C ATOM 640 O GLN A 36 -33.526 33.244 -9.146 1.00 12.21 O ATOM 641 CB GLN A 36 -30.956 35.008 -10.295 1.00 65.42 C ATOM 642 CG GLN A 36 -31.090 36.516 -10.434 1.00 23.54 C ATOM 643 CD GLN A 36 -30.090 37.271 -9.581 1.00 2.23 C ATOM 644 OE1 GLN A 36 -29.065 37.741 -10.075 1.00 65.10 O ATOM 645 NE2 GLN A 36 -30.384 37.393 -8.291 1.00 65.34 N ATOM 0 H GLN A 36 -29.437 34.451 -8.435 1.00 54.20 H new ATOM 0 HA GLN A 36 -32.105 35.219 -8.492 1.00 23.42 H new ATOM 0 HB2 GLN A 36 -29.908 34.733 -10.411 1.00 65.42 H new ATOM 0 HB3 GLN A 36 -31.503 34.527 -11.106 1.00 65.42 H new ATOM 0 HG2 GLN A 36 -30.954 36.794 -11.479 1.00 23.54 H new ATOM 0 HG3 GLN A 36 -32.100 36.815 -10.153 1.00 23.54 H new ATOM 0 HE21 GLN A 36 -31.245 36.988 -7.924 1.00 65.34 H new ATOM 0 HE22 GLN A 36 -29.749 37.892 -7.668 1.00 65.34 H new ATOM 654 N LEU A 37 -31.614 32.095 -9.436 1.00 61.31 N ATOM 655 CA LEU A 37 -32.286 30.822 -9.675 1.00 15.45 C ATOM 656 C LEU A 37 -33.272 30.509 -8.553 1.00 62.22 C ATOM 657 O LEU A 37 -34.393 30.067 -8.804 1.00 2.30 O ATOM 658 CB LEU A 37 -31.260 29.695 -9.797 1.00 4.24 C ATOM 659 CG LEU A 37 -31.760 28.397 -10.431 1.00 12.00 C ATOM 660 CD1 LEU A 37 -30.914 28.033 -11.641 1.00 4.22 C ATOM 661 CD2 LEU A 37 -31.751 27.267 -9.412 1.00 3.12 C ATOM 0 H LEU A 37 -30.596 32.048 -9.475 1.00 61.31 H new ATOM 0 HA LEU A 37 -32.840 30.902 -10.610 1.00 15.45 H new ATOM 0 HB2 LEU A 37 -30.417 30.061 -10.383 1.00 4.24 H new ATOM 0 HB3 LEU A 37 -30.881 29.467 -8.801 1.00 4.24 H new ATOM 0 HG LEU A 37 -32.786 28.550 -10.764 1.00 12.00 H new ATOM 0 HD11 LEU A 37 -31.285 27.106 -12.079 1.00 4.22 H new ATOM 0 HD12 LEU A 37 -30.973 28.832 -12.380 1.00 4.22 H new ATOM 0 HD13 LEU A 37 -29.877 27.899 -11.333 1.00 4.22 H new ATOM 0 HD21 LEU A 37 -32.110 26.351 -9.881 1.00 3.12 H new ATOM 0 HD22 LEU A 37 -30.735 27.114 -9.047 1.00 3.12 H new ATOM 0 HD23 LEU A 37 -32.401 27.525 -8.576 1.00 3.12 H new ATOM 673 N ALA A 38 -32.846 30.742 -7.316 1.00 12.20 N ATOM 674 CA ALA A 38 -33.692 30.489 -6.157 1.00 34.25 C ATOM 675 C ALA A 38 -34.741 31.584 -5.992 1.00 62.22 C ATOM 676 O ALA A 38 -35.833 31.340 -5.479 1.00 11.32 O ATOM 677 CB ALA A 38 -32.844 30.375 -4.899 1.00 21.23 C ATOM 0 H ALA A 38 -31.920 31.106 -7.091 1.00 12.20 H new ATOM 0 HA ALA A 38 -34.213 29.545 -6.318 1.00 34.25 H new ATOM 0 HB1 ALA A 38 -33.489 30.186 -4.041 1.00 21.23 H new ATOM 0 HB2 ALA A 38 -32.137 29.552 -5.010 1.00 21.23 H new ATOM 0 HB3 ALA A 38 -32.297 31.305 -4.744 1.00 21.23 H new ATOM 683 N LYS A 39 -34.402 32.791 -6.431 1.00 0.54 N ATOM 684 CA LYS A 39 -35.314 33.925 -6.333 1.00 42.10 C ATOM 685 C LYS A 39 -36.534 33.720 -7.225 1.00 41.32 C ATOM 686 O LYS A 39 -37.643 34.126 -6.879 1.00 24.53 O ATOM 687 CB LYS A 39 -34.595 35.219 -6.723 1.00 33.13 C ATOM 688 CG LYS A 39 -34.808 36.354 -5.736 1.00 75.12 C ATOM 689 CD LYS A 39 -35.247 37.628 -6.438 1.00 75.13 C ATOM 690 CE LYS A 39 -34.080 38.314 -7.131 1.00 24.44 C ATOM 691 NZ LYS A 39 -34.065 39.780 -6.873 1.00 13.24 N ATOM 0 H LYS A 39 -33.502 33.010 -6.858 1.00 0.54 H new ATOM 0 HA LYS A 39 -35.650 34.001 -5.299 1.00 42.10 H new ATOM 0 HB2 LYS A 39 -33.527 35.019 -6.810 1.00 33.13 H new ATOM 0 HB3 LYS A 39 -34.941 35.535 -7.707 1.00 33.13 H new ATOM 0 HG2 LYS A 39 -35.561 36.064 -5.003 1.00 75.12 H new ATOM 0 HG3 LYS A 39 -33.884 36.539 -5.188 1.00 75.12 H new ATOM 0 HD2 LYS A 39 -36.019 37.393 -7.171 1.00 75.13 H new ATOM 0 HD3 LYS A 39 -35.692 38.309 -5.713 1.00 75.13 H new ATOM 0 HE2 LYS A 39 -33.144 37.875 -6.786 1.00 24.44 H new ATOM 0 HE3 LYS A 39 -34.139 38.135 -8.205 1.00 24.44 H new ATOM 0 HZ1 LYS A 39 -33.255 40.210 -7.363 1.00 13.24 H new ATOM 0 HZ2 LYS A 39 -34.947 40.204 -7.225 1.00 13.24 H new ATOM 0 HZ3 LYS A 39 -33.983 39.952 -5.851 1.00 13.24 H new ATOM 705 N ASN A 40 -36.322 33.087 -8.374 1.00 45.55 N ATOM 706 CA ASN A 40 -37.405 32.828 -9.316 1.00 1.13 C ATOM 707 C ASN A 40 -38.343 31.750 -8.781 1.00 53.35 C ATOM 708 O ASN A 40 -39.545 31.769 -9.050 1.00 13.41 O ATOM 709 CB ASN A 40 -36.839 32.401 -10.672 1.00 31.04 C ATOM 710 CG ASN A 40 -36.724 33.561 -11.641 1.00 42.24 C ATOM 711 OD1 ASN A 40 -37.552 33.720 -12.538 1.00 73.11 O ATOM 712 ND2 ASN A 40 -35.692 34.379 -11.465 1.00 73.14 N ATOM 0 H ASN A 40 -35.410 32.744 -8.675 1.00 45.55 H new ATOM 0 HA ASN A 40 -37.973 33.750 -9.442 1.00 1.13 H new ATOM 0 HB2 ASN A 40 -35.856 31.953 -10.528 1.00 31.04 H new ATOM 0 HB3 ASN A 40 -37.479 31.632 -11.104 1.00 31.04 H new ATOM 0 HD21 ASN A 40 -35.562 35.177 -12.087 1.00 73.14 H new ATOM 0 HD22 ASN A 40 -35.030 34.209 -10.708 1.00 73.14 H new ATOM 719 N LEU A 41 -37.787 30.812 -8.024 1.00 22.14 N ATOM 720 CA LEU A 41 -38.573 29.725 -7.450 1.00 55.41 C ATOM 721 C LEU A 41 -38.881 29.993 -5.980 1.00 54.04 C ATOM 722 O LEU A 41 -39.987 29.727 -5.509 1.00 24.23 O ATOM 723 CB LEU A 41 -37.827 28.398 -7.593 1.00 43.11 C ATOM 724 CG LEU A 41 -38.281 27.492 -8.738 1.00 51.21 C ATOM 725 CD1 LEU A 41 -37.094 26.758 -9.342 1.00 3.34 C ATOM 726 CD2 LEU A 41 -39.330 26.503 -8.252 1.00 15.45 C ATOM 0 H LEU A 41 -36.794 30.782 -7.793 1.00 22.14 H new ATOM 0 HA LEU A 41 -39.515 29.665 -7.995 1.00 55.41 H new ATOM 0 HB2 LEU A 41 -36.767 28.613 -7.725 1.00 43.11 H new ATOM 0 HB3 LEU A 41 -37.926 27.846 -6.658 1.00 43.11 H new ATOM 0 HG LEU A 41 -38.729 28.115 -9.512 1.00 51.21 H new ATOM 0 HD11 LEU A 41 -37.437 26.118 -10.155 1.00 3.34 H new ATOM 0 HD12 LEU A 41 -36.377 27.482 -9.728 1.00 3.34 H new ATOM 0 HD13 LEU A 41 -36.616 26.147 -8.576 1.00 3.34 H new ATOM 0 HD21 LEU A 41 -39.641 25.867 -9.080 1.00 15.45 H new ATOM 0 HD22 LEU A 41 -38.908 25.886 -7.459 1.00 15.45 H new ATOM 0 HD23 LEU A 41 -40.193 27.047 -7.868 1.00 15.45 H new TER 738 LEU A 41