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 Set 1.1: A 24 ASN : amide:sc= -0.246 X(o=-0.26,f=-0.049) USER MOD Set 1.2: A 26 ASN : amide:sc= -0.0186 K(o=-0.26,f=-0.9) USER MOD Set 2.1: A 9 SER OG : rot -74:sc= 0.88 USER MOD Set 2.2: A 10 THR OG1 : rot 98:sc= 1.24 USER MOD Single : A 1 LYS N :NH3+ 142:sc= 0.0404 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 12 LYS NZ :NH3+ 158:sc= -0.167 (180deg=-0.969) 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+ -176:sc= 0 (180deg=-0.0124) USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00701) USER MOD Single : A 19 LYS NZ :NH3+ -151:sc= -0.147 (180deg=-0.773) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -74:sc= 1.17 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 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+ 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= -0.0957 K(o=-0.096,f=-0.78) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.967 K(o=-0.97,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.704 -2.304 -1.811 1.00 12.34 N ATOM 2 CA LYS A 1 2.345 -1.028 -2.104 1.00 3.41 C ATOM 3 C LYS A 1 1.305 0.051 -2.390 1.00 4.12 C ATOM 4 O LYS A 1 0.216 -0.238 -2.886 1.00 23.45 O ATOM 5 CB LYS A 1 3.289 -1.171 -3.300 1.00 41.10 C ATOM 6 CG LYS A 1 4.700 -1.583 -2.916 1.00 14.01 C ATOM 7 CD LYS A 1 5.728 -1.018 -3.881 1.00 61.13 C ATOM 8 CE LYS A 1 6.113 -2.036 -4.944 1.00 54.34 C ATOM 9 NZ LYS A 1 7.454 -1.752 -5.525 1.00 3.54 N ATOM 0 H1 LYS A 1 2.259 -3.076 -2.232 1.00 12.34 H new ATOM 0 H2 LYS A 1 1.651 -2.437 -0.781 1.00 12.34 H new ATOM 0 H3 LYS A 1 0.744 -2.310 -2.211 1.00 12.34 H new ATOM 0 HA LYS A 1 2.921 -0.730 -1.228 1.00 3.41 H new ATOM 0 HB2 LYS A 1 2.879 -1.909 -3.989 1.00 41.10 H new ATOM 0 HB3 LYS A 1 3.330 -0.222 -3.836 1.00 41.10 H new ATOM 0 HG2 LYS A 1 4.919 -1.237 -1.906 1.00 14.01 H new ATOM 0 HG3 LYS A 1 4.771 -2.671 -2.903 1.00 14.01 H new ATOM 0 HD2 LYS A 1 5.327 -0.125 -4.360 1.00 61.13 H new ATOM 0 HD3 LYS A 1 6.617 -0.712 -3.329 1.00 61.13 H new ATOM 0 HE2 LYS A 1 6.111 -3.035 -4.508 1.00 54.34 H new ATOM 0 HE3 LYS A 1 5.366 -2.033 -5.737 1.00 54.34 H new ATOM 0 HZ1 LYS A 1 7.679 -2.468 -6.245 1.00 3.54 H new ATOM 0 HZ2 LYS A 1 7.450 -0.809 -5.964 1.00 3.54 H new ATOM 0 HZ3 LYS A 1 8.171 -1.780 -4.773 1.00 3.54 H new ATOM 23 N PHE A 2 1.649 1.296 -2.075 1.00 71.25 N ATOM 24 CA PHE A 2 0.745 2.418 -2.299 1.00 71.02 C ATOM 25 C PHE A 2 1.526 3.713 -2.501 1.00 54.34 C ATOM 26 O PHE A 2 2.347 4.094 -1.667 1.00 31.12 O ATOM 27 CB PHE A 2 -0.218 2.568 -1.119 1.00 45.23 C ATOM 28 CG PHE A 2 -1.638 2.827 -1.533 1.00 60.54 C ATOM 29 CD1 PHE A 2 -2.080 4.118 -1.771 1.00 73.23 C ATOM 30 CD2 PHE A 2 -2.531 1.778 -1.684 1.00 71.13 C ATOM 31 CE1 PHE A 2 -3.387 4.359 -2.153 1.00 3.01 C ATOM 32 CE2 PHE A 2 -3.838 2.013 -2.066 1.00 74.01 C ATOM 33 CZ PHE A 2 -4.267 3.305 -2.299 1.00 51.14 C ATOM 0 H PHE A 2 2.547 1.553 -1.664 1.00 71.25 H new ATOM 0 HA PHE A 2 0.171 2.216 -3.203 1.00 71.02 H new ATOM 0 HB2 PHE A 2 -0.184 1.661 -0.515 1.00 45.23 H new ATOM 0 HB3 PHE A 2 0.122 3.387 -0.485 1.00 45.23 H new ATOM 0 HD1 PHE A 2 -1.396 4.946 -1.657 1.00 73.23 H new ATOM 0 HD2 PHE A 2 -2.202 0.766 -1.501 1.00 71.13 H new ATOM 0 HE1 PHE A 2 -3.719 5.370 -2.337 1.00 3.01 H new ATOM 0 HE2 PHE A 2 -4.524 1.187 -2.182 1.00 74.01 H new ATOM 0 HZ PHE A 2 -5.289 3.491 -2.595 1.00 51.14 H new ATOM 43 N LYS A 3 1.264 4.387 -3.616 1.00 72.14 N ATOM 44 CA LYS A 3 1.940 5.640 -3.930 1.00 52.05 C ATOM 45 C LYS A 3 1.252 6.816 -3.244 1.00 63.00 C ATOM 46 O LYS A 3 0.212 7.290 -3.699 1.00 55.13 O ATOM 47 CB LYS A 3 1.966 5.864 -5.444 1.00 62.32 C ATOM 48 CG LYS A 3 2.916 4.935 -6.180 1.00 22.41 C ATOM 49 CD LYS A 3 4.026 5.707 -6.874 1.00 33.13 C ATOM 50 CE LYS A 3 4.972 4.776 -7.617 1.00 0.42 C ATOM 51 NZ LYS A 3 5.509 5.405 -8.855 1.00 71.14 N ATOM 0 H LYS A 3 0.588 4.086 -4.318 1.00 72.14 H new ATOM 0 HA LYS A 3 2.963 5.574 -3.561 1.00 52.05 H new ATOM 0 HB2 LYS A 3 0.960 5.729 -5.840 1.00 62.32 H new ATOM 0 HB3 LYS A 3 2.252 6.896 -5.645 1.00 62.32 H new ATOM 0 HG2 LYS A 3 3.351 4.225 -5.476 1.00 22.41 H new ATOM 0 HG3 LYS A 3 2.361 4.354 -6.916 1.00 22.41 H new ATOM 0 HD2 LYS A 3 3.592 6.421 -7.574 1.00 33.13 H new ATOM 0 HD3 LYS A 3 4.585 6.284 -6.137 1.00 33.13 H new ATOM 0 HE2 LYS A 3 5.798 4.499 -6.962 1.00 0.42 H new ATOM 0 HE3 LYS A 3 4.448 3.856 -7.875 1.00 0.42 H new ATOM 0 HZ1 LYS A 3 6.149 4.739 -9.333 1.00 71.14 H new ATOM 0 HZ2 LYS A 3 4.722 5.646 -9.491 1.00 71.14 H new ATOM 0 HZ3 LYS A 3 6.031 6.270 -8.607 1.00 71.14 H new ATOM 65 N TRP A 4 1.841 7.282 -2.149 1.00 2.02 N ATOM 66 CA TRP A 4 1.285 8.404 -1.401 1.00 2.11 C ATOM 67 C TRP A 4 1.145 9.635 -2.290 1.00 24.12 C ATOM 68 O TRP A 4 0.282 10.482 -2.062 1.00 64.34 O ATOM 69 CB TRP A 4 2.169 8.728 -0.195 1.00 42.14 C ATOM 70 CG TRP A 4 2.302 7.587 0.768 1.00 53.43 C ATOM 71 CD1 TRP A 4 3.396 6.791 0.950 1.00 45.43 C ATOM 72 CD2 TRP A 4 1.304 7.115 1.679 1.00 74.32 C ATOM 73 NE1 TRP A 4 3.139 5.852 1.919 1.00 11.31 N ATOM 74 CE2 TRP A 4 1.862 6.030 2.383 1.00 63.03 C ATOM 75 CE3 TRP A 4 -0.007 7.503 1.970 1.00 3.30 C ATOM 76 CZ2 TRP A 4 1.154 5.331 3.357 1.00 43.31 C ATOM 77 CZ3 TRP A 4 -0.708 6.809 2.937 1.00 72.30 C ATOM 78 CH2 TRP A 4 -0.127 5.733 3.622 1.00 43.23 C ATOM 0 H TRP A 4 2.703 6.901 -1.759 1.00 2.02 H new ATOM 0 HA TRP A 4 0.294 8.118 -1.049 1.00 2.11 H new ATOM 0 HB2 TRP A 4 3.160 9.015 -0.547 1.00 42.14 H new ATOM 0 HB3 TRP A 4 1.755 9.590 0.329 1.00 42.14 H new ATOM 0 HD1 TRP A 4 4.327 6.886 0.411 1.00 45.43 H new ATOM 0 HE1 TRP A 4 3.793 5.138 2.241 1.00 11.31 H new ATOM 0 HE3 TRP A 4 -0.464 8.331 1.448 1.00 3.30 H new ATOM 0 HZ2 TRP A 4 1.600 4.501 3.885 1.00 43.31 H new ATOM 0 HZ3 TRP A 4 -1.722 7.101 3.169 1.00 72.30 H new ATOM 0 HH2 TRP A 4 -0.701 5.211 4.373 1.00 43.23 H new ATOM 89 N GLY A 5 2.000 9.728 -3.304 1.00 62.41 N ATOM 90 CA GLY A 5 1.954 10.859 -4.212 1.00 23.01 C ATOM 91 C GLY A 5 0.580 11.060 -4.819 1.00 60.42 C ATOM 92 O GLY A 5 0.203 12.179 -5.165 1.00 40.44 O ATOM 0 H GLY A 5 2.724 9.040 -3.513 1.00 62.41 H new ATOM 0 HA2 GLY A 5 2.247 11.762 -3.677 1.00 23.01 H new ATOM 0 HA3 GLY A 5 2.682 10.710 -5.010 1.00 23.01 H new ATOM 96 N LYS A 6 -0.171 9.972 -4.951 1.00 73.31 N ATOM 97 CA LYS A 6 -1.512 10.032 -5.521 1.00 61.43 C ATOM 98 C LYS A 6 -2.446 10.846 -4.632 1.00 3.03 C ATOM 99 O LYS A 6 -3.069 11.807 -5.084 1.00 53.12 O ATOM 100 CB LYS A 6 -2.072 8.620 -5.709 1.00 70.14 C ATOM 101 CG LYS A 6 -2.036 8.138 -7.149 1.00 52.24 C ATOM 102 CD LYS A 6 -2.975 6.964 -7.368 1.00 72.21 C ATOM 103 CE LYS A 6 -3.112 6.627 -8.845 1.00 60.00 C ATOM 104 NZ LYS A 6 -4.026 7.570 -9.547 1.00 33.04 N ATOM 0 H LYS A 6 0.126 9.037 -4.671 1.00 73.31 H new ATOM 0 HA LYS A 6 -1.445 10.522 -6.492 1.00 61.43 H new ATOM 0 HB2 LYS A 6 -1.504 7.927 -5.088 1.00 70.14 H new ATOM 0 HB3 LYS A 6 -3.102 8.596 -5.352 1.00 70.14 H new ATOM 0 HG2 LYS A 6 -2.313 8.956 -7.814 1.00 52.24 H new ATOM 0 HG3 LYS A 6 -1.019 7.845 -7.410 1.00 52.24 H new ATOM 0 HD2 LYS A 6 -2.603 6.093 -6.828 1.00 72.21 H new ATOM 0 HD3 LYS A 6 -3.956 7.199 -6.955 1.00 72.21 H new ATOM 0 HE2 LYS A 6 -2.130 6.655 -9.316 1.00 60.00 H new ATOM 0 HE3 LYS A 6 -3.488 5.610 -8.952 1.00 60.00 H new ATOM 0 HZ1 LYS A 6 -4.093 7.306 -10.551 1.00 33.04 H new ATOM 0 HZ2 LYS A 6 -4.970 7.525 -9.114 1.00 33.04 H new ATOM 0 HZ3 LYS A 6 -3.654 8.538 -9.467 1.00 33.04 H new ATOM 118 N LEU A 7 -2.537 10.457 -3.365 1.00 4.23 N ATOM 119 CA LEU A 7 -3.393 11.153 -2.411 1.00 35.44 C ATOM 120 C LEU A 7 -2.906 12.579 -2.180 1.00 2.30 C ATOM 121 O LEU A 7 -3.700 13.519 -2.140 1.00 11.23 O ATOM 122 CB LEU A 7 -3.432 10.394 -1.083 1.00 34.11 C ATOM 123 CG LEU A 7 -4.821 10.145 -0.493 1.00 22.52 C ATOM 124 CD1 LEU A 7 -4.750 9.110 0.620 1.00 51.22 C ATOM 125 CD2 LEU A 7 -5.423 11.444 0.022 1.00 62.11 C ATOM 0 H LEU A 7 -2.029 9.664 -2.975 1.00 4.23 H new ATOM 0 HA LEU A 7 -4.399 11.196 -2.828 1.00 35.44 H new ATOM 0 HB2 LEU A 7 -2.941 9.431 -1.223 1.00 34.11 H new ATOM 0 HB3 LEU A 7 -2.843 10.949 -0.353 1.00 34.11 H new ATOM 0 HG LEU A 7 -5.466 9.757 -1.282 1.00 22.52 H new ATOM 0 HD11 LEU A 7 -5.747 8.946 1.028 1.00 51.22 H new ATOM 0 HD12 LEU A 7 -4.362 8.173 0.221 1.00 51.22 H new ATOM 0 HD13 LEU A 7 -4.090 9.469 1.409 1.00 51.22 H new ATOM 0 HD21 LEU A 7 -6.411 11.247 0.438 1.00 62.11 H new ATOM 0 HD22 LEU A 7 -4.780 11.861 0.797 1.00 62.11 H new ATOM 0 HD23 LEU A 7 -5.510 12.155 -0.799 1.00 62.11 H new ATOM 137 N PHE A 8 -1.594 12.734 -2.031 1.00 54.11 N ATOM 138 CA PHE A 8 -1.000 14.047 -1.806 1.00 32.42 C ATOM 139 C PHE A 8 -1.281 14.979 -2.980 1.00 42.43 C ATOM 140 O PHE A 8 -1.686 16.126 -2.793 1.00 12.52 O ATOM 141 CB PHE A 8 0.509 13.917 -1.593 1.00 24.45 C ATOM 142 CG PHE A 8 0.903 13.805 -0.147 1.00 42.53 C ATOM 143 CD1 PHE A 8 0.326 12.846 0.670 1.00 44.53 C ATOM 144 CD2 PHE A 8 1.850 14.660 0.394 1.00 24.50 C ATOM 145 CE1 PHE A 8 0.686 12.743 2.000 1.00 25.30 C ATOM 146 CE2 PHE A 8 2.215 14.560 1.724 1.00 52.24 C ATOM 147 CZ PHE A 8 1.633 13.600 2.527 1.00 33.33 C ATOM 0 H PHE A 8 -0.922 11.967 -2.062 1.00 54.11 H new ATOM 0 HA PHE A 8 -1.451 14.474 -0.910 1.00 32.42 H new ATOM 0 HB2 PHE A 8 0.869 13.039 -2.129 1.00 24.45 H new ATOM 0 HB3 PHE A 8 1.006 14.783 -2.031 1.00 24.45 H new ATOM 0 HD1 PHE A 8 -0.413 12.172 0.263 1.00 44.53 H new ATOM 0 HD2 PHE A 8 2.308 15.413 -0.230 1.00 24.50 H new ATOM 0 HE1 PHE A 8 0.227 11.993 2.627 1.00 25.30 H new ATOM 0 HE2 PHE A 8 2.954 15.232 2.134 1.00 52.24 H new ATOM 0 HZ PHE A 8 1.917 13.519 3.566 1.00 33.33 H new ATOM 157 N SER A 9 -1.061 14.478 -4.192 1.00 13.42 N ATOM 158 CA SER A 9 -1.286 15.267 -5.397 1.00 41.34 C ATOM 159 C SER A 9 -2.752 15.671 -5.517 1.00 12.41 C ATOM 160 O SER A 9 -3.076 16.854 -5.633 1.00 63.12 O ATOM 161 CB SER A 9 -0.860 14.477 -6.636 1.00 74.22 C ATOM 162 OG SER A 9 -1.580 13.260 -6.737 1.00 52.30 O ATOM 0 H SER A 9 -0.727 13.530 -4.365 1.00 13.42 H new ATOM 0 HA SER A 9 -0.683 16.172 -5.326 1.00 41.34 H new ATOM 0 HB2 SER A 9 -1.028 15.078 -7.530 1.00 74.22 H new ATOM 0 HB3 SER A 9 0.209 14.268 -6.588 1.00 74.22 H new ATOM 0 HG SER A 9 -1.249 12.627 -6.066 1.00 52.30 H new ATOM 168 N THR A 10 -3.637 14.680 -5.488 1.00 32.35 N ATOM 169 CA THR A 10 -5.069 14.930 -5.594 1.00 30.34 C ATOM 170 C THR A 10 -5.536 15.915 -4.528 1.00 65.01 C ATOM 171 O THR A 10 -6.231 16.885 -4.828 1.00 61.01 O ATOM 172 CB THR A 10 -5.878 13.626 -5.460 1.00 74.15 C ATOM 173 OG1 THR A 10 -5.288 12.599 -6.264 1.00 61.55 O ATOM 174 CG2 THR A 10 -7.324 13.840 -5.884 1.00 4.51 C ATOM 0 H THR A 10 -3.387 13.696 -5.392 1.00 32.35 H new ATOM 0 HA THR A 10 -5.243 15.358 -6.581 1.00 30.34 H new ATOM 0 HB THR A 10 -5.864 13.322 -4.413 1.00 74.15 H new ATOM 0 HG1 THR A 10 -4.724 12.027 -5.702 1.00 61.55 H new ATOM 0 HG21 THR A 10 -7.876 12.906 -5.781 1.00 4.51 H new ATOM 0 HG22 THR A 10 -7.780 14.602 -5.252 1.00 4.51 H new ATOM 0 HG23 THR A 10 -7.354 14.166 -6.924 1.00 4.51 H new ATOM 182 N ALA A 11 -5.148 15.660 -3.283 1.00 2.13 N ATOM 183 CA ALA A 11 -5.524 16.527 -2.173 1.00 34.21 C ATOM 184 C ALA A 11 -5.076 17.963 -2.421 1.00 52.04 C ATOM 185 O ALA A 11 -5.866 18.900 -2.303 1.00 41.34 O ATOM 186 CB ALA A 11 -4.933 16.005 -0.872 1.00 13.04 C ATOM 0 H ALA A 11 -4.573 14.860 -3.018 1.00 2.13 H new ATOM 0 HA ALA A 11 -6.611 16.522 -2.093 1.00 34.21 H new ATOM 0 HB1 ALA A 11 -5.222 16.662 -0.052 1.00 13.04 H new ATOM 0 HB2 ALA A 11 -5.307 14.999 -0.680 1.00 13.04 H new ATOM 0 HB3 ALA A 11 -3.846 15.979 -0.951 1.00 13.04 H new ATOM 192 N LYS A 12 -3.804 18.130 -2.765 1.00 63.43 N ATOM 193 CA LYS A 12 -3.249 19.452 -3.031 1.00 73.33 C ATOM 194 C LYS A 12 -4.051 20.171 -4.111 1.00 75.00 C ATOM 195 O LYS A 12 -4.467 21.316 -3.931 1.00 71.14 O ATOM 196 CB LYS A 12 -1.785 19.336 -3.461 1.00 1.33 C ATOM 197 CG LYS A 12 -0.917 20.484 -2.976 1.00 4.32 C ATOM 198 CD LYS A 12 0.112 20.885 -4.020 1.00 21.02 C ATOM 199 CE LYS A 12 1.374 20.043 -3.910 1.00 42.34 C ATOM 200 NZ LYS A 12 1.131 18.626 -4.297 1.00 31.11 N ATOM 0 H LYS A 12 -3.137 17.365 -2.866 1.00 63.43 H new ATOM 0 HA LYS A 12 -3.306 20.034 -2.111 1.00 73.33 H new ATOM 0 HB2 LYS A 12 -1.377 18.398 -3.083 1.00 1.33 H new ATOM 0 HB3 LYS A 12 -1.737 19.289 -4.549 1.00 1.33 H new ATOM 0 HG2 LYS A 12 -1.546 21.341 -2.736 1.00 4.32 H new ATOM 0 HG3 LYS A 12 -0.409 20.194 -2.056 1.00 4.32 H new ATOM 0 HD2 LYS A 12 -0.316 20.773 -5.016 1.00 21.02 H new ATOM 0 HD3 LYS A 12 0.364 21.938 -3.898 1.00 21.02 H new ATOM 0 HE2 LYS A 12 2.149 20.466 -4.549 1.00 42.34 H new ATOM 0 HE3 LYS A 12 1.748 20.081 -2.887 1.00 42.34 H new ATOM 0 HZ1 LYS A 12 2.031 18.181 -4.570 1.00 31.11 H new ATOM 0 HZ2 LYS A 12 0.721 18.112 -3.492 1.00 31.11 H new ATOM 0 HZ3 LYS A 12 0.471 18.594 -5.100 1.00 31.11 H new ATOM 214 N LYS A 13 -4.267 19.492 -5.233 1.00 31.15 N ATOM 215 CA LYS A 13 -5.022 20.064 -6.341 1.00 11.21 C ATOM 216 C LYS A 13 -6.390 20.551 -5.874 1.00 30.04 C ATOM 217 O LYS A 13 -6.735 21.721 -6.043 1.00 1.44 O ATOM 218 CB LYS A 13 -5.191 19.031 -7.457 1.00 44.24 C ATOM 219 CG LYS A 13 -4.662 19.498 -8.803 1.00 23.44 C ATOM 220 CD LYS A 13 -3.240 19.017 -9.040 1.00 30.30 C ATOM 221 CE LYS A 13 -3.214 17.583 -9.547 1.00 71.03 C ATOM 222 NZ LYS A 13 -2.821 17.509 -10.982 1.00 4.23 N ATOM 0 H LYS A 13 -3.929 18.544 -5.399 1.00 31.15 H new ATOM 0 HA LYS A 13 -4.464 20.918 -6.725 1.00 11.21 H new ATOM 0 HB2 LYS A 13 -4.676 18.113 -7.172 1.00 44.24 H new ATOM 0 HB3 LYS A 13 -6.248 18.786 -7.557 1.00 44.24 H new ATOM 0 HG2 LYS A 13 -5.310 19.128 -9.598 1.00 23.44 H new ATOM 0 HG3 LYS A 13 -4.691 20.587 -8.849 1.00 23.44 H new ATOM 0 HD2 LYS A 13 -2.750 19.669 -9.763 1.00 30.30 H new ATOM 0 HD3 LYS A 13 -2.672 19.086 -8.112 1.00 30.30 H new ATOM 0 HE2 LYS A 13 -2.515 16.999 -8.948 1.00 71.03 H new ATOM 0 HE3 LYS A 13 -4.198 17.134 -9.416 1.00 71.03 H new ATOM 0 HZ1 LYS A 13 -2.815 16.516 -11.290 1.00 4.23 H new ATOM 0 HZ2 LYS A 13 -3.502 18.045 -11.557 1.00 4.23 H new ATOM 0 HZ3 LYS A 13 -1.871 17.914 -11.103 1.00 4.23 H new ATOM 236 N LEU A 14 -7.165 19.647 -5.284 1.00 42.13 N ATOM 237 CA LEU A 14 -8.495 19.985 -4.791 1.00 13.14 C ATOM 238 C LEU A 14 -8.445 21.213 -3.887 1.00 32.11 C ATOM 239 O LEU A 14 -9.291 22.102 -3.984 1.00 1.52 O ATOM 240 CB LEU A 14 -9.094 18.801 -4.029 1.00 11.30 C ATOM 241 CG LEU A 14 -10.247 18.073 -4.720 1.00 34.21 C ATOM 242 CD1 LEU A 14 -10.764 16.940 -3.846 1.00 4.53 C ATOM 243 CD2 LEU A 14 -11.369 19.046 -5.053 1.00 72.53 C ATOM 0 H LEU A 14 -6.895 18.675 -5.136 1.00 42.13 H new ATOM 0 HA LEU A 14 -9.126 20.214 -5.649 1.00 13.14 H new ATOM 0 HB2 LEU A 14 -8.300 18.080 -3.835 1.00 11.30 H new ATOM 0 HB3 LEU A 14 -9.444 19.158 -3.060 1.00 11.30 H new ATOM 0 HG LEU A 14 -9.875 17.646 -5.651 1.00 34.21 H new ATOM 0 HD11 LEU A 14 -11.584 16.434 -4.354 1.00 4.53 H new ATOM 0 HD12 LEU A 14 -9.959 16.229 -3.658 1.00 4.53 H new ATOM 0 HD13 LEU A 14 -11.119 17.345 -2.898 1.00 4.53 H new ATOM 0 HD21 LEU A 14 -12.181 18.510 -5.544 1.00 72.53 H new ATOM 0 HD22 LEU A 14 -11.739 19.503 -4.135 1.00 72.53 H new ATOM 0 HD23 LEU A 14 -10.992 19.823 -5.718 1.00 72.53 H new ATOM 255 N TYR A 15 -7.448 21.255 -3.010 1.00 40.45 N ATOM 256 CA TYR A 15 -7.287 22.374 -2.089 1.00 53.12 C ATOM 257 C TYR A 15 -7.132 23.688 -2.849 1.00 73.23 C ATOM 258 O TYR A 15 -7.942 24.604 -2.702 1.00 62.22 O ATOM 259 CB TYR A 15 -6.074 22.148 -1.186 1.00 45.12 C ATOM 260 CG TYR A 15 -5.758 23.324 -0.290 1.00 51.41 C ATOM 261 CD1 TYR A 15 -4.901 24.334 -0.712 1.00 31.32 C ATOM 262 CD2 TYR A 15 -6.316 23.426 0.978 1.00 0.32 C ATOM 263 CE1 TYR A 15 -4.609 25.410 0.104 1.00 54.13 C ATOM 264 CE2 TYR A 15 -6.031 24.500 1.800 1.00 71.43 C ATOM 265 CZ TYR A 15 -5.177 25.489 1.358 1.00 32.32 C ATOM 266 OH TYR A 15 -4.890 26.559 2.174 1.00 22.12 O ATOM 0 H TYR A 15 -6.739 20.527 -2.918 1.00 40.45 H new ATOM 0 HA TYR A 15 -8.184 22.436 -1.473 1.00 53.12 H new ATOM 0 HB2 TYR A 15 -6.251 21.268 -0.567 1.00 45.12 H new ATOM 0 HB3 TYR A 15 -5.205 21.931 -1.807 1.00 45.12 H new ATOM 0 HD1 TYR A 15 -4.456 24.277 -1.694 1.00 31.32 H new ATOM 0 HD2 TYR A 15 -6.984 22.653 1.328 1.00 0.32 H new ATOM 0 HE1 TYR A 15 -3.939 26.185 -0.238 1.00 54.13 H new ATOM 0 HE2 TYR A 15 -6.474 24.565 2.783 1.00 71.43 H new ATOM 0 HH TYR A 15 -5.372 26.462 3.022 1.00 22.12 H new ATOM 276 N LYS A 16 -6.086 23.772 -3.664 1.00 0.52 N ATOM 277 CA LYS A 16 -5.823 24.972 -4.450 1.00 61.21 C ATOM 278 C LYS A 16 -7.033 25.340 -5.303 1.00 31.24 C ATOM 279 O LYS A 16 -7.522 26.468 -5.250 1.00 54.45 O ATOM 280 CB LYS A 16 -4.600 24.761 -5.346 1.00 1.44 C ATOM 281 CG LYS A 16 -3.438 25.681 -5.014 1.00 43.31 C ATOM 282 CD LYS A 16 -3.845 27.143 -5.087 1.00 53.32 C ATOM 283 CE LYS A 16 -2.670 28.031 -5.467 1.00 53.24 C ATOM 284 NZ LYS A 16 -1.573 27.959 -4.463 1.00 51.32 N ATOM 0 H LYS A 16 -5.406 23.023 -3.798 1.00 0.52 H new ATOM 0 HA LYS A 16 -5.624 25.792 -3.760 1.00 61.21 H new ATOM 0 HB2 LYS A 16 -4.270 23.726 -5.258 1.00 1.44 H new ATOM 0 HB3 LYS A 16 -4.890 24.916 -6.385 1.00 1.44 H new ATOM 0 HG2 LYS A 16 -3.068 25.455 -4.014 1.00 43.31 H new ATOM 0 HG3 LYS A 16 -2.617 25.496 -5.707 1.00 43.31 H new ATOM 0 HD2 LYS A 16 -4.644 27.263 -5.818 1.00 53.32 H new ATOM 0 HD3 LYS A 16 -4.244 27.459 -4.123 1.00 53.32 H new ATOM 0 HE2 LYS A 16 -2.289 27.731 -6.443 1.00 53.24 H new ATOM 0 HE3 LYS A 16 -3.010 29.063 -5.560 1.00 53.24 H new ATOM 0 HZ1 LYS A 16 -0.821 28.628 -4.722 1.00 51.32 H new ATOM 0 HZ2 LYS A 16 -1.946 28.204 -3.523 1.00 51.32 H new ATOM 0 HZ3 LYS A 16 -1.185 26.994 -4.441 1.00 51.32 H new ATOM 298 N LYS A 17 -7.513 24.380 -6.086 1.00 42.03 N ATOM 299 CA LYS A 17 -8.668 24.601 -6.948 1.00 42.43 C ATOM 300 C LYS A 17 -9.845 25.152 -6.150 1.00 32.42 C ATOM 301 O LYS A 17 -10.430 26.172 -6.511 1.00 5.34 O ATOM 302 CB LYS A 17 -9.072 23.297 -7.639 1.00 44.04 C ATOM 303 CG LYS A 17 -9.843 23.507 -8.931 1.00 64.52 C ATOM 304 CD LYS A 17 -9.563 22.399 -9.933 1.00 74.12 C ATOM 305 CE LYS A 17 -10.668 21.353 -9.930 1.00 42.12 C ATOM 306 NZ LYS A 17 -10.606 20.485 -8.722 1.00 31.21 N ATOM 0 H LYS A 17 -7.120 23.441 -6.141 1.00 42.03 H new ATOM 0 HA LYS A 17 -8.390 25.335 -7.705 1.00 42.43 H new ATOM 0 HB2 LYS A 17 -8.175 22.715 -7.851 1.00 44.04 H new ATOM 0 HB3 LYS A 17 -9.681 22.706 -6.954 1.00 44.04 H new ATOM 0 HG2 LYS A 17 -10.911 23.544 -8.717 1.00 64.52 H new ATOM 0 HG3 LYS A 17 -9.572 24.469 -9.366 1.00 64.52 H new ATOM 0 HD2 LYS A 17 -9.467 22.826 -10.931 1.00 74.12 H new ATOM 0 HD3 LYS A 17 -8.611 21.925 -9.696 1.00 74.12 H new ATOM 0 HE2 LYS A 17 -11.638 21.849 -9.972 1.00 42.12 H new ATOM 0 HE3 LYS A 17 -10.587 20.736 -10.825 1.00 42.12 H new ATOM 0 HZ1 LYS A 17 -11.354 19.764 -8.774 1.00 31.21 H new ATOM 0 HZ2 LYS A 17 -9.678 20.018 -8.677 1.00 31.21 H new ATOM 0 HZ3 LYS A 17 -10.743 21.065 -7.870 1.00 31.21 H new ATOM 320 N GLY A 18 -10.188 24.469 -5.062 1.00 25.55 N ATOM 321 CA GLY A 18 -11.293 24.905 -4.229 1.00 3.44 C ATOM 322 C GLY A 18 -11.156 26.352 -3.796 1.00 74.22 C ATOM 323 O GLY A 18 -12.050 27.165 -4.031 1.00 53.23 O ATOM 0 H GLY A 18 -9.720 23.621 -4.743 1.00 25.55 H new ATOM 0 HA2 GLY A 18 -12.228 24.779 -4.775 1.00 3.44 H new ATOM 0 HA3 GLY A 18 -11.352 24.269 -3.346 1.00 3.44 H new ATOM 327 N LYS A 19 -10.035 26.674 -3.160 1.00 52.44 N ATOM 328 CA LYS A 19 -9.784 28.032 -2.693 1.00 2.41 C ATOM 329 C LYS A 19 -9.988 29.042 -3.818 1.00 73.21 C ATOM 330 O LYS A 19 -10.790 29.969 -3.697 1.00 23.41 O ATOM 331 CB LYS A 19 -8.361 28.149 -2.141 1.00 71.23 C ATOM 332 CG LYS A 19 -8.225 29.163 -1.019 1.00 42.32 C ATOM 333 CD LYS A 19 -7.357 30.340 -1.434 1.00 31.14 C ATOM 334 CE LYS A 19 -5.942 30.207 -0.891 1.00 53.41 C ATOM 335 NZ LYS A 19 -5.920 30.171 0.597 1.00 32.35 N ATOM 0 H LYS A 19 -9.286 26.013 -2.956 1.00 52.44 H new ATOM 0 HA LYS A 19 -10.496 28.252 -1.897 1.00 2.41 H new ATOM 0 HB2 LYS A 19 -8.040 27.173 -1.778 1.00 71.23 H new ATOM 0 HB3 LYS A 19 -7.687 28.425 -2.952 1.00 71.23 H new ATOM 0 HG2 LYS A 19 -9.213 29.522 -0.730 1.00 42.32 H new ATOM 0 HG3 LYS A 19 -7.792 28.681 -0.142 1.00 42.32 H new ATOM 0 HD2 LYS A 19 -7.326 30.405 -2.522 1.00 31.14 H new ATOM 0 HD3 LYS A 19 -7.801 31.267 -1.072 1.00 31.14 H new ATOM 0 HE2 LYS A 19 -5.487 29.298 -1.283 1.00 53.41 H new ATOM 0 HE3 LYS A 19 -5.338 31.043 -1.243 1.00 53.41 H new ATOM 0 HZ1 LYS A 19 -5.020 30.564 0.940 1.00 32.35 H new ATOM 0 HZ2 LYS A 19 -6.709 30.736 0.970 1.00 32.35 H new ATOM 0 HZ3 LYS A 19 -6.015 29.188 0.922 1.00 32.35 H new ATOM 349 N LYS A 20 -9.260 28.855 -4.913 1.00 43.55 N ATOM 350 CA LYS A 20 -9.363 29.748 -6.062 1.00 65.52 C ATOM 351 C LYS A 20 -10.802 29.829 -6.561 1.00 63.30 C ATOM 352 O LYS A 20 -11.264 30.889 -6.985 1.00 21.05 O ATOM 353 CB LYS A 20 -8.447 29.267 -7.190 1.00 42.35 C ATOM 354 CG LYS A 20 -6.973 29.519 -6.926 1.00 45.32 C ATOM 355 CD LYS A 20 -6.339 30.341 -8.037 1.00 34.42 C ATOM 356 CE LYS A 20 -6.387 31.829 -7.726 1.00 73.32 C ATOM 357 NZ LYS A 20 -5.057 32.475 -7.900 1.00 22.22 N ATOM 0 H LYS A 20 -8.592 28.093 -5.030 1.00 43.55 H new ATOM 0 HA LYS A 20 -9.050 30.743 -5.747 1.00 65.52 H new ATOM 0 HB2 LYS A 20 -8.603 28.199 -7.343 1.00 42.35 H new ATOM 0 HB3 LYS A 20 -8.732 29.766 -8.116 1.00 42.35 H new ATOM 0 HG2 LYS A 20 -6.857 30.040 -5.975 1.00 45.32 H new ATOM 0 HG3 LYS A 20 -6.451 28.567 -6.834 1.00 45.32 H new ATOM 0 HD2 LYS A 20 -5.303 30.030 -8.175 1.00 34.42 H new ATOM 0 HD3 LYS A 20 -6.858 30.147 -8.976 1.00 34.42 H new ATOM 0 HE2 LYS A 20 -7.114 32.313 -8.378 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -6.731 31.975 -6.702 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -5.132 33.488 -7.679 1.00 22.22 H new ATOM 0 HZ2 LYS A 20 -4.369 32.030 -7.260 1.00 22.22 H new ATOM 0 HZ3 LYS A 20 -4.740 32.358 -8.884 1.00 22.22 H new ATOM 371 N LEU A 21 -11.506 28.704 -6.507 1.00 20.40 N ATOM 372 CA LEU A 21 -12.894 28.648 -6.952 1.00 31.21 C ATOM 373 C LEU A 21 -13.791 29.484 -6.044 1.00 61.34 C ATOM 374 O LEU A 21 -14.910 29.837 -6.416 1.00 11.13 O ATOM 375 CB LEU A 21 -13.384 27.199 -6.978 1.00 31.01 C ATOM 376 CG LEU A 21 -13.508 26.557 -8.360 1.00 52.12 C ATOM 377 CD1 LEU A 21 -14.655 27.183 -9.139 1.00 1.25 C ATOM 378 CD2 LEU A 21 -12.202 26.692 -9.130 1.00 34.21 C ATOM 0 H LEU A 21 -11.139 27.818 -6.159 1.00 20.40 H new ATOM 0 HA LEU A 21 -12.943 29.060 -7.960 1.00 31.21 H new ATOM 0 HB2 LEU A 21 -12.702 26.595 -6.379 1.00 31.01 H new ATOM 0 HB3 LEU A 21 -14.358 27.157 -6.491 1.00 31.01 H new ATOM 0 HG LEU A 21 -13.721 25.496 -8.229 1.00 52.12 H new ATOM 0 HD11 LEU A 21 -14.728 26.713 -10.120 1.00 1.25 H new ATOM 0 HD12 LEU A 21 -15.588 27.034 -8.595 1.00 1.25 H new ATOM 0 HD13 LEU A 21 -14.472 28.251 -9.261 1.00 1.25 H new ATOM 0 HD21 LEU A 21 -12.309 26.229 -10.111 1.00 34.21 H new ATOM 0 HD22 LEU A 21 -11.958 27.748 -9.251 1.00 34.21 H new ATOM 0 HD23 LEU A 21 -11.402 26.196 -8.580 1.00 34.21 H new ATOM 390 N SER A 22 -13.291 29.798 -4.854 1.00 3.23 N ATOM 391 CA SER A 22 -14.047 30.592 -3.892 1.00 71.41 C ATOM 392 C SER A 22 -13.925 32.081 -4.201 1.00 73.31 C ATOM 393 O SER A 22 -14.836 32.861 -3.922 1.00 44.45 O ATOM 394 CB SER A 22 -13.556 30.312 -2.470 1.00 51.43 C ATOM 395 OG SER A 22 -12.545 31.230 -2.090 1.00 54.13 O ATOM 0 H SER A 22 -12.365 29.515 -4.532 1.00 3.23 H new ATOM 0 HA SER A 22 -15.097 30.308 -3.969 1.00 71.41 H new ATOM 0 HB2 SER A 22 -14.392 30.378 -1.774 1.00 51.43 H new ATOM 0 HB3 SER A 22 -13.170 29.295 -2.409 1.00 51.43 H new ATOM 0 HG SER A 22 -11.710 31.008 -2.553 1.00 54.13 H new ATOM 401 N LYS A 23 -12.793 32.468 -4.779 1.00 73.21 N ATOM 402 CA LYS A 23 -12.550 33.862 -5.128 1.00 41.34 C ATOM 403 C LYS A 23 -12.795 34.102 -6.615 1.00 34.23 C ATOM 404 O LYS A 23 -12.190 34.986 -7.219 1.00 24.23 O ATOM 405 CB LYS A 23 -11.116 34.257 -4.767 1.00 52.23 C ATOM 406 CG LYS A 23 -10.844 34.261 -3.273 1.00 32.40 C ATOM 407 CD LYS A 23 -10.066 35.496 -2.851 1.00 34.35 C ATOM 408 CE LYS A 23 -8.692 35.538 -3.500 1.00 41.03 C ATOM 409 NZ LYS A 23 -8.520 36.744 -4.356 1.00 50.44 N ATOM 0 H LYS A 23 -12.029 31.835 -5.016 1.00 73.21 H new ATOM 0 HA LYS A 23 -13.245 34.479 -4.559 1.00 41.34 H new ATOM 0 HB2 LYS A 23 -10.425 33.567 -5.252 1.00 52.23 H new ATOM 0 HB3 LYS A 23 -10.910 35.249 -5.168 1.00 52.23 H new ATOM 0 HG2 LYS A 23 -11.788 34.222 -2.730 1.00 32.40 H new ATOM 0 HG3 LYS A 23 -10.283 33.366 -3.002 1.00 32.40 H new ATOM 0 HD2 LYS A 23 -10.626 36.391 -3.124 1.00 34.35 H new ATOM 0 HD3 LYS A 23 -9.958 35.506 -1.766 1.00 34.35 H new ATOM 0 HE2 LYS A 23 -7.924 35.529 -2.726 1.00 41.03 H new ATOM 0 HE3 LYS A 23 -8.547 34.641 -4.103 1.00 41.03 H new ATOM 0 HZ1 LYS A 23 -7.571 36.736 -4.780 1.00 50.44 H new ATOM 0 HZ2 LYS A 23 -9.236 36.740 -5.110 1.00 50.44 H new ATOM 0 HZ3 LYS A 23 -8.633 37.600 -3.776 1.00 50.44 H new ATOM 423 N ASN A 24 -13.689 33.309 -7.198 1.00 23.14 N ATOM 424 CA ASN A 24 -14.015 33.436 -8.613 1.00 62.14 C ATOM 425 C ASN A 24 -15.280 34.265 -8.808 1.00 14.31 C ATOM 426 O ASN A 24 -16.386 33.810 -8.513 1.00 41.40 O ATOM 427 CB ASN A 24 -14.196 32.053 -9.242 1.00 71.04 C ATOM 428 CG ASN A 24 -13.336 31.862 -10.477 1.00 20.13 C ATOM 429 OD1 ASN A 24 -13.825 31.457 -11.531 1.00 73.13 O ATOM 430 ND2 ASN A 24 -12.047 32.153 -10.350 1.00 4.20 N ATOM 0 H ASN A 24 -14.200 32.572 -6.712 1.00 23.14 H new ATOM 0 HA ASN A 24 -13.188 33.947 -9.106 1.00 62.14 H new ATOM 0 HB2 ASN A 24 -13.947 31.287 -8.507 1.00 71.04 H new ATOM 0 HB3 ASN A 24 -15.244 31.912 -9.507 1.00 71.04 H new ATOM 0 HD21 ASN A 24 -11.419 32.044 -11.146 1.00 4.20 H new ATOM 0 HD22 ASN A 24 -11.685 32.486 -9.456 1.00 4.20 H new ATOM 437 N LYS A 25 -15.111 35.485 -9.307 1.00 70.11 N ATOM 438 CA LYS A 25 -16.238 36.379 -9.544 1.00 34.23 C ATOM 439 C LYS A 25 -17.308 35.693 -10.387 1.00 55.34 C ATOM 440 O LYS A 25 -18.502 35.926 -10.202 1.00 0.43 O ATOM 441 CB LYS A 25 -15.765 37.656 -10.241 1.00 13.44 C ATOM 442 CG LYS A 25 -14.756 38.452 -9.432 1.00 1.44 C ATOM 443 CD LYS A 25 -13.419 38.548 -10.147 1.00 40.54 C ATOM 444 CE LYS A 25 -12.472 39.501 -9.434 1.00 1.21 C ATOM 445 NZ LYS A 25 -12.302 40.778 -10.182 1.00 30.25 N ATOM 0 H LYS A 25 -14.203 35.877 -9.555 1.00 70.11 H new ATOM 0 HA LYS A 25 -16.672 36.639 -8.579 1.00 34.23 H new ATOM 0 HB2 LYS A 25 -15.322 37.393 -11.201 1.00 13.44 H new ATOM 0 HB3 LYS A 25 -16.629 38.287 -10.451 1.00 13.44 H new ATOM 0 HG2 LYS A 25 -15.144 39.454 -9.249 1.00 1.44 H new ATOM 0 HG3 LYS A 25 -14.616 37.981 -8.459 1.00 1.44 H new ATOM 0 HD2 LYS A 25 -12.965 37.559 -10.206 1.00 40.54 H new ATOM 0 HD3 LYS A 25 -13.576 38.888 -11.171 1.00 40.54 H new ATOM 0 HE2 LYS A 25 -12.854 39.713 -8.436 1.00 1.21 H new ATOM 0 HE3 LYS A 25 -11.501 39.022 -9.308 1.00 1.21 H new ATOM 0 HZ1 LYS A 25 -11.650 41.400 -9.663 1.00 30.25 H new ATOM 0 HZ2 LYS A 25 -11.913 40.578 -11.126 1.00 30.25 H new ATOM 0 HZ3 LYS A 25 -13.224 41.248 -10.280 1.00 30.25 H new ATOM 459 N ASN A 26 -16.872 34.846 -11.314 1.00 13.01 N ATOM 460 CA ASN A 26 -17.794 34.126 -12.185 1.00 64.14 C ATOM 461 C ASN A 26 -18.867 33.410 -11.370 1.00 44.43 C ATOM 462 O ASN A 26 -20.061 33.554 -11.634 1.00 64.11 O ATOM 463 CB ASN A 26 -17.031 33.115 -13.044 1.00 51.03 C ATOM 464 CG ASN A 26 -15.870 33.747 -13.787 1.00 42.11 C ATOM 465 OD1 ASN A 26 -14.763 33.853 -13.257 1.00 75.35 O ATOM 466 ND2 ASN A 26 -16.117 34.171 -15.021 1.00 14.31 N ATOM 0 H ASN A 26 -15.887 34.642 -11.481 1.00 13.01 H new ATOM 0 HA ASN A 26 -18.282 34.852 -12.835 1.00 64.14 H new ATOM 0 HB2 ASN A 26 -16.658 32.311 -12.409 1.00 51.03 H new ATOM 0 HB3 ASN A 26 -17.715 32.663 -13.762 1.00 51.03 H new ATOM 0 HD21 ASN A 26 -15.374 34.605 -15.569 1.00 14.31 H new ATOM 0 HD22 ASN A 26 -17.049 34.063 -15.420 1.00 14.31 H new ATOM 473 N PHE A 27 -18.433 32.640 -10.378 1.00 63.13 N ATOM 474 CA PHE A 27 -19.356 31.901 -9.524 1.00 44.42 C ATOM 475 C PHE A 27 -20.299 32.852 -8.792 1.00 45.14 C ATOM 476 O PHE A 27 -21.519 32.759 -8.925 1.00 30.11 O ATOM 477 CB PHE A 27 -18.581 31.055 -8.512 1.00 63.44 C ATOM 478 CG PHE A 27 -18.894 29.588 -8.594 1.00 24.21 C ATOM 479 CD1 PHE A 27 -20.203 29.140 -8.523 1.00 51.43 C ATOM 480 CD2 PHE A 27 -17.878 28.657 -8.742 1.00 35.55 C ATOM 481 CE1 PHE A 27 -20.494 27.791 -8.597 1.00 44.32 C ATOM 482 CE2 PHE A 27 -18.163 27.306 -8.816 1.00 61.14 C ATOM 483 CZ PHE A 27 -19.472 26.873 -8.745 1.00 74.02 C ATOM 0 H PHE A 27 -17.448 32.511 -10.145 1.00 63.13 H new ATOM 0 HA PHE A 27 -19.951 31.243 -10.158 1.00 44.42 H new ATOM 0 HB2 PHE A 27 -17.513 31.200 -8.671 1.00 63.44 H new ATOM 0 HB3 PHE A 27 -18.804 31.411 -7.506 1.00 63.44 H new ATOM 0 HD1 PHE A 27 -21.006 29.853 -8.408 1.00 51.43 H new ATOM 0 HD2 PHE A 27 -16.852 28.990 -8.800 1.00 35.55 H new ATOM 0 HE1 PHE A 27 -21.519 27.455 -8.539 1.00 44.32 H new ATOM 0 HE2 PHE A 27 -17.362 26.590 -8.929 1.00 61.14 H new ATOM 0 HZ PHE A 27 -19.697 25.818 -8.805 1.00 74.02 H new ATOM 493 N LYS A 28 -19.724 33.767 -8.019 1.00 23.20 N ATOM 494 CA LYS A 28 -20.510 34.736 -7.266 1.00 13.24 C ATOM 495 C LYS A 28 -21.557 35.397 -8.156 1.00 52.44 C ATOM 496 O LYS A 28 -22.736 35.460 -7.806 1.00 62.41 O ATOM 497 CB LYS A 28 -19.597 35.802 -6.657 1.00 3.25 C ATOM 498 CG LYS A 28 -18.452 35.228 -5.840 1.00 32.23 C ATOM 499 CD LYS A 28 -18.958 34.311 -4.739 1.00 70.50 C ATOM 500 CE LYS A 28 -17.921 34.134 -3.640 1.00 72.13 C ATOM 501 NZ LYS A 28 -18.101 35.125 -2.543 1.00 74.51 N ATOM 0 H LYS A 28 -18.715 33.857 -7.898 1.00 23.20 H new ATOM 0 HA LYS A 28 -21.023 34.205 -6.464 1.00 13.24 H new ATOM 0 HB2 LYS A 28 -19.188 36.418 -7.458 1.00 3.25 H new ATOM 0 HB3 LYS A 28 -20.192 36.458 -6.022 1.00 3.25 H new ATOM 0 HG2 LYS A 28 -17.778 34.675 -6.494 1.00 32.23 H new ATOM 0 HG3 LYS A 28 -17.874 36.041 -5.401 1.00 32.23 H new ATOM 0 HD2 LYS A 28 -19.874 34.722 -4.314 1.00 70.50 H new ATOM 0 HD3 LYS A 28 -19.211 33.339 -5.162 1.00 70.50 H new ATOM 0 HE2 LYS A 28 -17.991 33.125 -3.233 1.00 72.13 H new ATOM 0 HE3 LYS A 28 -16.922 34.238 -4.063 1.00 72.13 H new ATOM 0 HZ1 LYS A 28 -17.375 34.971 -1.814 1.00 74.51 H new ATOM 0 HZ2 LYS A 28 -18.009 36.087 -2.926 1.00 74.51 H new ATOM 0 HZ3 LYS A 28 -19.045 35.009 -2.122 1.00 74.51 H new ATOM 515 N LYS A 29 -21.120 35.889 -9.311 1.00 2.24 N ATOM 516 CA LYS A 29 -22.019 36.544 -10.254 1.00 22.52 C ATOM 517 C LYS A 29 -23.032 35.552 -10.816 1.00 53.25 C ATOM 518 O LYS A 29 -24.155 35.924 -11.158 1.00 4.12 O ATOM 519 CB LYS A 29 -21.220 37.176 -11.396 1.00 14.42 C ATOM 520 CG LYS A 29 -21.663 38.589 -11.737 1.00 62.34 C ATOM 521 CD LYS A 29 -20.500 39.566 -11.683 1.00 33.32 C ATOM 522 CE LYS A 29 -20.985 41.005 -11.599 1.00 73.12 C ATOM 523 NZ LYS A 29 -21.581 41.465 -12.884 1.00 74.11 N ATOM 0 H LYS A 29 -20.148 35.846 -9.616 1.00 2.24 H new ATOM 0 HA LYS A 29 -22.559 37.326 -9.721 1.00 22.52 H new ATOM 0 HB2 LYS A 29 -20.164 37.190 -11.126 1.00 14.42 H new ATOM 0 HB3 LYS A 29 -21.313 36.550 -12.284 1.00 14.42 H new ATOM 0 HG2 LYS A 29 -22.105 38.602 -12.733 1.00 62.34 H new ATOM 0 HG3 LYS A 29 -22.439 38.906 -11.040 1.00 62.34 H new ATOM 0 HD2 LYS A 29 -19.874 39.341 -10.820 1.00 33.32 H new ATOM 0 HD3 LYS A 29 -19.878 39.442 -12.569 1.00 33.32 H new ATOM 0 HE2 LYS A 29 -21.725 41.093 -10.803 1.00 73.12 H new ATOM 0 HE3 LYS A 29 -20.151 41.654 -11.332 1.00 73.12 H new ATOM 0 HZ1 LYS A 29 -21.899 42.450 -12.786 1.00 74.11 H new ATOM 0 HZ2 LYS A 29 -20.868 41.405 -13.639 1.00 74.11 H new ATOM 0 HZ3 LYS A 29 -22.393 40.861 -13.126 1.00 74.11 H new ATOM 537 N ALA A 30 -22.629 34.289 -10.909 1.00 14.10 N ATOM 538 CA ALA A 30 -23.504 33.244 -11.427 1.00 1.23 C ATOM 539 C ALA A 30 -24.731 33.065 -10.539 1.00 3.22 C ATOM 540 O ALA A 30 -25.863 33.047 -11.023 1.00 51.21 O ATOM 541 CB ALA A 30 -22.743 31.932 -11.550 1.00 12.31 C ATOM 0 H ALA A 30 -21.702 33.965 -10.632 1.00 14.10 H new ATOM 0 HA ALA A 30 -23.846 33.548 -12.417 1.00 1.23 H new ATOM 0 HB1 ALA A 30 -23.408 31.161 -11.938 1.00 12.31 H new ATOM 0 HB2 ALA A 30 -21.902 32.062 -12.231 1.00 12.31 H new ATOM 0 HB3 ALA A 30 -22.373 31.633 -10.569 1.00 12.31 H new ATOM 547 N LEU A 31 -24.499 32.932 -9.238 1.00 1.45 N ATOM 548 CA LEU A 31 -25.586 32.754 -8.281 1.00 61.11 C ATOM 549 C LEU A 31 -26.378 34.046 -8.109 1.00 41.15 C ATOM 550 O LEU A 31 -27.599 34.065 -8.268 1.00 63.24 O ATOM 551 CB LEU A 31 -25.033 32.298 -6.930 1.00 2.13 C ATOM 552 CG LEU A 31 -23.839 31.343 -6.980 1.00 54.44 C ATOM 553 CD1 LEU A 31 -23.286 31.106 -5.584 1.00 33.41 C ATOM 554 CD2 LEU A 31 -24.237 30.026 -7.630 1.00 14.11 C ATOM 0 H LEU A 31 -23.568 32.944 -8.821 1.00 1.45 H new ATOM 0 HA LEU A 31 -26.257 31.988 -8.670 1.00 61.11 H new ATOM 0 HB2 LEU A 31 -24.742 33.182 -6.362 1.00 2.13 H new ATOM 0 HB3 LEU A 31 -25.837 31.814 -6.376 1.00 2.13 H new ATOM 0 HG LEU A 31 -23.056 31.801 -7.585 1.00 54.44 H new ATOM 0 HD11 LEU A 31 -22.437 30.424 -5.640 1.00 33.41 H new ATOM 0 HD12 LEU A 31 -22.962 32.054 -5.155 1.00 33.41 H new ATOM 0 HD13 LEU A 31 -24.061 30.669 -4.955 1.00 33.41 H new ATOM 0 HD21 LEU A 31 -23.376 29.359 -7.657 1.00 14.11 H new ATOM 0 HD22 LEU A 31 -25.037 29.562 -7.053 1.00 14.11 H new ATOM 0 HD23 LEU A 31 -24.584 30.212 -8.646 1.00 14.11 H new ATOM 566 N LYS A 32 -25.675 35.126 -7.786 1.00 40.20 N ATOM 567 CA LYS A 32 -26.310 36.425 -7.596 1.00 75.31 C ATOM 568 C LYS A 32 -27.229 36.757 -8.767 1.00 53.34 C ATOM 569 O LYS A 32 -28.366 37.189 -8.574 1.00 40.34 O ATOM 570 CB LYS A 32 -25.250 37.517 -7.440 1.00 63.23 C ATOM 571 CG LYS A 32 -24.970 37.891 -5.995 1.00 52.31 C ATOM 572 CD LYS A 32 -25.774 39.109 -5.569 1.00 62.50 C ATOM 573 CE LYS A 32 -25.469 39.503 -4.132 1.00 22.30 C ATOM 574 NZ LYS A 32 -26.549 40.345 -3.547 1.00 25.12 N ATOM 0 H LYS A 32 -24.664 35.128 -7.650 1.00 40.20 H new ATOM 0 HA LYS A 32 -26.910 36.378 -6.687 1.00 75.31 H new ATOM 0 HB2 LYS A 32 -24.323 37.181 -7.906 1.00 63.23 H new ATOM 0 HB3 LYS A 32 -25.574 38.406 -7.980 1.00 63.23 H new ATOM 0 HG2 LYS A 32 -25.212 37.049 -5.347 1.00 52.31 H new ATOM 0 HG3 LYS A 32 -23.906 38.094 -5.870 1.00 52.31 H new ATOM 0 HD2 LYS A 32 -25.550 39.945 -6.232 1.00 62.50 H new ATOM 0 HD3 LYS A 32 -26.838 38.898 -5.671 1.00 62.50 H new ATOM 0 HE2 LYS A 32 -25.342 38.604 -3.528 1.00 22.30 H new ATOM 0 HE3 LYS A 32 -24.525 40.047 -4.097 1.00 22.30 H new ATOM 0 HZ1 LYS A 32 -26.304 40.593 -2.567 1.00 25.12 H new ATOM 0 HZ2 LYS A 32 -26.654 41.214 -4.108 1.00 25.12 H new ATOM 0 HZ3 LYS A 32 -27.445 39.817 -3.557 1.00 25.12 H new ATOM 588 N PHE A 33 -26.730 36.552 -9.982 1.00 34.02 N ATOM 589 CA PHE A 33 -27.507 36.830 -11.184 1.00 70.44 C ATOM 590 C PHE A 33 -28.700 35.884 -11.292 1.00 1.22 C ATOM 591 O PHE A 33 -29.848 36.321 -11.366 1.00 45.01 O ATOM 592 CB PHE A 33 -26.625 36.700 -12.428 1.00 71.50 C ATOM 593 CG PHE A 33 -27.326 37.075 -13.702 1.00 74.21 C ATOM 594 CD1 PHE A 33 -28.088 38.230 -13.775 1.00 2.22 C ATOM 595 CD2 PHE A 33 -27.224 36.273 -14.827 1.00 62.31 C ATOM 596 CE1 PHE A 33 -28.735 38.577 -14.946 1.00 2.32 C ATOM 597 CE2 PHE A 33 -27.868 36.615 -16.001 1.00 72.11 C ATOM 598 CZ PHE A 33 -28.624 37.769 -16.061 1.00 2.44 C ATOM 0 H PHE A 33 -25.791 36.194 -10.160 1.00 34.02 H new ATOM 0 HA PHE A 33 -27.881 37.852 -11.116 1.00 70.44 H new ATOM 0 HB2 PHE A 33 -25.745 37.332 -12.307 1.00 71.50 H new ATOM 0 HB3 PHE A 33 -26.271 35.672 -12.507 1.00 71.50 H new ATOM 0 HD1 PHE A 33 -28.177 38.866 -12.907 1.00 2.22 H new ATOM 0 HD2 PHE A 33 -26.634 35.369 -14.786 1.00 62.31 H new ATOM 0 HE1 PHE A 33 -29.327 39.479 -14.989 1.00 2.32 H new ATOM 0 HE2 PHE A 33 -27.780 35.980 -16.870 1.00 72.11 H new ATOM 0 HZ PHE A 33 -29.127 38.039 -16.978 1.00 2.44 H new ATOM 608 N GLY A 34 -28.419 34.585 -11.300 1.00 63.40 N ATOM 609 CA GLY A 34 -29.478 33.597 -11.399 1.00 45.14 C ATOM 610 C GLY A 34 -30.570 33.813 -10.371 1.00 50.01 C ATOM 611 O GLY A 34 -31.752 33.621 -10.659 1.00 65.22 O ATOM 0 H GLY A 34 -27.477 34.199 -11.240 1.00 63.40 H new ATOM 0 HA2 GLY A 34 -29.912 33.633 -12.398 1.00 45.14 H new ATOM 0 HA3 GLY A 34 -29.054 32.601 -11.271 1.00 45.14 H new ATOM 615 N LYS A 35 -30.176 34.212 -9.167 1.00 10.34 N ATOM 616 CA LYS A 35 -31.129 34.454 -8.090 1.00 55.44 C ATOM 617 C LYS A 35 -31.991 35.677 -8.391 1.00 45.01 C ATOM 618 O LYS A 35 -33.215 35.580 -8.471 1.00 63.11 O ATOM 619 CB LYS A 35 -30.393 34.650 -6.763 1.00 71.02 C ATOM 620 CG LYS A 35 -30.212 33.366 -5.973 1.00 34.42 C ATOM 621 CD LYS A 35 -31.411 33.085 -5.083 1.00 14.34 C ATOM 622 CE LYS A 35 -30.986 32.525 -3.734 1.00 64.12 C ATOM 623 NZ LYS A 35 -30.661 33.605 -2.762 1.00 53.30 N ATOM 0 H LYS A 35 -29.202 34.375 -8.912 1.00 10.34 H new ATOM 0 HA LYS A 35 -31.779 33.583 -8.012 1.00 55.44 H new ATOM 0 HB2 LYS A 35 -29.414 35.086 -6.961 1.00 71.02 H new ATOM 0 HB3 LYS A 35 -30.944 35.367 -6.154 1.00 71.02 H new ATOM 0 HG2 LYS A 35 -30.065 32.533 -6.660 1.00 34.42 H new ATOM 0 HG3 LYS A 35 -29.313 33.438 -5.361 1.00 34.42 H new ATOM 0 HD2 LYS A 35 -31.978 34.004 -4.934 1.00 14.34 H new ATOM 0 HD3 LYS A 35 -32.075 32.377 -5.579 1.00 14.34 H new ATOM 0 HE2 LYS A 35 -31.785 31.903 -3.331 1.00 64.12 H new ATOM 0 HE3 LYS A 35 -30.116 31.881 -3.866 1.00 64.12 H new ATOM 0 HZ1 LYS A 35 -30.376 33.182 -1.856 1.00 53.30 H new ATOM 0 HZ2 LYS A 35 -29.881 34.184 -3.134 1.00 53.30 H new ATOM 0 HZ3 LYS A 35 -31.498 34.204 -2.616 1.00 53.30 H new ATOM 637 N GLN A 36 -31.342 36.825 -8.558 1.00 12.32 N ATOM 638 CA GLN A 36 -32.050 38.066 -8.851 1.00 1.04 C ATOM 639 C GLN A 36 -32.912 37.919 -10.100 1.00 14.02 C ATOM 640 O GLN A 36 -33.903 38.631 -10.270 1.00 72.44 O ATOM 641 CB GLN A 36 -31.056 39.214 -9.035 1.00 64.31 C ATOM 642 CG GLN A 36 -31.465 40.494 -8.324 1.00 60.52 C ATOM 643 CD GLN A 36 -31.476 41.696 -9.247 1.00 44.03 C ATOM 644 OE1 GLN A 36 -30.671 41.788 -10.175 1.00 11.10 O ATOM 645 NE2 GLN A 36 -32.390 42.626 -8.998 1.00 3.34 N ATOM 0 H GLN A 36 -30.329 36.922 -8.496 1.00 12.32 H new ATOM 0 HA GLN A 36 -32.702 38.291 -8.007 1.00 1.04 H new ATOM 0 HB2 GLN A 36 -30.079 38.900 -8.667 1.00 64.31 H new ATOM 0 HB3 GLN A 36 -30.944 39.420 -10.100 1.00 64.31 H new ATOM 0 HG2 GLN A 36 -32.457 40.364 -7.891 1.00 60.52 H new ATOM 0 HG3 GLN A 36 -30.779 40.681 -7.498 1.00 60.52 H new ATOM 0 HE21 GLN A 36 -33.037 42.509 -8.218 1.00 3.34 H new ATOM 0 HE22 GLN A 36 -32.445 43.457 -9.586 1.00 3.34 H new ATOM 654 N LEU A 37 -32.530 36.992 -10.971 1.00 44.21 N ATOM 655 CA LEU A 37 -33.268 36.752 -12.206 1.00 61.41 C ATOM 656 C LEU A 37 -34.550 35.973 -11.931 1.00 32.21 C ATOM 657 O LEU A 37 -35.644 36.415 -12.282 1.00 22.41 O ATOM 658 CB LEU A 37 -32.397 35.986 -13.203 1.00 63.24 C ATOM 659 CG LEU A 37 -32.762 36.152 -14.679 1.00 64.30 C ATOM 660 CD1 LEU A 37 -31.578 36.697 -15.464 1.00 33.54 C ATOM 661 CD2 LEU A 37 -33.228 34.827 -15.265 1.00 51.11 C ATOM 0 H LEU A 37 -31.713 36.394 -10.845 1.00 44.21 H new ATOM 0 HA LEU A 37 -33.536 37.718 -12.634 1.00 61.41 H new ATOM 0 HB2 LEU A 37 -31.362 36.301 -13.068 1.00 63.24 H new ATOM 0 HB3 LEU A 37 -32.443 34.926 -12.955 1.00 63.24 H new ATOM 0 HG LEU A 37 -33.581 36.868 -14.753 1.00 64.30 H new ATOM 0 HD11 LEU A 37 -31.856 36.808 -16.512 1.00 33.54 H new ATOM 0 HD12 LEU A 37 -31.289 37.667 -15.060 1.00 33.54 H new ATOM 0 HD13 LEU A 37 -30.739 36.006 -15.383 1.00 33.54 H new ATOM 0 HD21 LEU A 37 -33.484 34.964 -16.316 1.00 51.11 H new ATOM 0 HD22 LEU A 37 -32.430 34.090 -15.179 1.00 51.11 H new ATOM 0 HD23 LEU A 37 -34.105 34.477 -14.721 1.00 51.11 H new ATOM 673 N ALA A 38 -34.408 34.812 -11.299 1.00 3.51 N ATOM 674 CA ALA A 38 -35.555 33.974 -10.973 1.00 3.34 C ATOM 675 C ALA A 38 -36.429 34.630 -9.909 1.00 40.11 C ATOM 676 O ALA A 38 -37.583 34.246 -9.715 1.00 44.14 O ATOM 677 CB ALA A 38 -35.090 32.603 -10.505 1.00 13.13 C ATOM 0 H ALA A 38 -33.510 34.431 -11.003 1.00 3.51 H new ATOM 0 HA ALA A 38 -36.155 33.854 -11.875 1.00 3.34 H new ATOM 0 HB1 ALA A 38 -35.957 31.987 -10.265 1.00 13.13 H new ATOM 0 HB2 ALA A 38 -34.513 32.125 -11.297 1.00 13.13 H new ATOM 0 HB3 ALA A 38 -34.466 32.714 -9.618 1.00 13.13 H new ATOM 683 N LYS A 39 -35.873 35.621 -9.221 1.00 45.42 N ATOM 684 CA LYS A 39 -36.601 36.332 -8.177 1.00 30.11 C ATOM 685 C LYS A 39 -37.923 36.875 -8.709 1.00 51.44 C ATOM 686 O LYS A 39 -38.898 36.997 -7.969 1.00 70.51 O ATOM 687 CB LYS A 39 -35.752 37.479 -7.624 1.00 23.51 C ATOM 688 CG LYS A 39 -35.305 37.266 -6.188 1.00 4.51 C ATOM 689 CD LYS A 39 -35.239 38.579 -5.425 1.00 25.22 C ATOM 690 CE LYS A 39 -33.945 39.325 -5.711 1.00 5.32 C ATOM 691 NZ LYS A 39 -33.423 40.016 -4.499 1.00 15.40 N ATOM 0 H LYS A 39 -34.919 35.950 -9.368 1.00 45.42 H new ATOM 0 HA LYS A 39 -36.815 35.627 -7.374 1.00 30.11 H new ATOM 0 HB2 LYS A 39 -34.872 37.606 -8.255 1.00 23.51 H new ATOM 0 HB3 LYS A 39 -36.324 38.405 -7.684 1.00 23.51 H new ATOM 0 HG2 LYS A 39 -35.996 36.587 -5.688 1.00 4.51 H new ATOM 0 HG3 LYS A 39 -34.325 36.788 -6.178 1.00 4.51 H new ATOM 0 HD2 LYS A 39 -36.089 39.204 -5.700 1.00 25.22 H new ATOM 0 HD3 LYS A 39 -35.319 38.384 -4.356 1.00 25.22 H new ATOM 0 HE2 LYS A 39 -33.196 38.624 -6.080 1.00 5.32 H new ATOM 0 HE3 LYS A 39 -34.115 40.056 -6.501 1.00 5.32 H new ATOM 0 HZ1 LYS A 39 -32.540 40.513 -4.736 1.00 15.40 H new ATOM 0 HZ2 LYS A 39 -34.127 40.703 -4.161 1.00 15.40 H new ATOM 0 HZ3 LYS A 39 -33.237 39.316 -3.753 1.00 15.40 H new ATOM 705 N ASN A 40 -37.948 37.200 -9.998 1.00 32.10 N ATOM 706 CA ASN A 40 -39.151 37.730 -10.629 1.00 75.44 C ATOM 707 C ASN A 40 -39.835 36.662 -11.478 1.00 52.24 C ATOM 708 O ASN A 40 -41.056 36.671 -11.642 1.00 50.52 O ATOM 709 CB ASN A 40 -38.806 38.943 -11.496 1.00 31.52 C ATOM 710 CG ASN A 40 -38.322 38.547 -12.877 1.00 64.03 C ATOM 711 OD1 ASN A 40 -39.112 38.151 -13.735 1.00 5.24 O ATOM 712 ND2 ASN A 40 -37.017 38.652 -13.099 1.00 45.40 N ATOM 0 H ASN A 40 -37.149 37.106 -10.625 1.00 32.10 H new ATOM 0 HA ASN A 40 -39.838 38.039 -9.841 1.00 75.44 H new ATOM 0 HB2 ASN A 40 -39.685 39.580 -11.591 1.00 31.52 H new ATOM 0 HB3 ASN A 40 -38.036 39.534 -11.000 1.00 31.52 H new ATOM 0 HD21 ASN A 40 -36.633 38.400 -14.010 1.00 45.40 H new ATOM 0 HD22 ASN A 40 -36.399 38.985 -12.359 1.00 45.40 H new ATOM 719 N LEU A 41 -39.041 35.743 -12.016 1.00 2.13 N ATOM 720 CA LEU A 41 -39.569 34.667 -12.848 1.00 3.42 C ATOM 721 C LEU A 41 -40.481 35.220 -13.938 1.00 13.11 C ATOM 722 O LEU A 41 -40.723 34.564 -14.951 1.00 0.01 O ATOM 723 CB LEU A 41 -40.334 33.660 -11.988 1.00 72.11 C ATOM 724 CG LEU A 41 -40.253 32.199 -12.433 1.00 42.32 C ATOM 725 CD1 LEU A 41 -38.999 31.542 -11.879 1.00 64.51 C ATOM 726 CD2 LEU A 41 -41.495 31.438 -11.994 1.00 71.00 C ATOM 0 H LEU A 41 -38.029 35.721 -11.891 1.00 2.13 H new ATOM 0 HA LEU A 41 -38.728 34.163 -13.325 1.00 3.42 H new ATOM 0 HB2 LEU A 41 -39.962 33.729 -10.966 1.00 72.11 H new ATOM 0 HB3 LEU A 41 -41.383 33.955 -11.966 1.00 72.11 H new ATOM 0 HG LEU A 41 -40.202 32.173 -13.521 1.00 42.32 H new ATOM 0 HD11 LEU A 41 -38.958 30.503 -12.206 1.00 64.51 H new ATOM 0 HD12 LEU A 41 -38.119 32.072 -12.244 1.00 64.51 H new ATOM 0 HD13 LEU A 41 -39.020 31.579 -10.790 1.00 64.51 H new ATOM 0 HD21 LEU A 41 -41.420 30.400 -12.319 1.00 71.00 H new ATOM 0 HD22 LEU A 41 -41.578 31.473 -10.908 1.00 71.00 H new ATOM 0 HD23 LEU A 41 -42.378 31.895 -12.440 1.00 71.00 H new TER 738 LEU A 41