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 Set 1.1: A 15 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 19 LYS NZ :NH3+ -151:sc= -0.202 (180deg=-0.788) USER MOD Single : A 1 LYS N :NH3+ 136:sc= 0.0989 (180deg=-0.159) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -166:sc= -0.0294 (180deg=-0.21) 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 78:sc= 1.32 USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0171) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=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 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.16 K(o=-1.2,f=-2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-1) 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=-0.000389 K(o=-0.00039,f=-1.9) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.864 -2.316 0.383 1.00 72.42 N ATOM 2 CA LYS A 1 2.532 -1.155 -0.192 1.00 64.55 C ATOM 3 C LYS A 1 1.765 0.125 0.120 1.00 75.11 C ATOM 4 O LYS A 1 0.678 0.084 0.698 1.00 24.22 O ATOM 5 CB LYS A 1 2.674 -1.321 -1.707 1.00 72.22 C ATOM 6 CG LYS A 1 1.346 -1.477 -2.429 1.00 22.14 C ATOM 7 CD LYS A 1 1.538 -1.591 -3.932 1.00 3.44 C ATOM 8 CE LYS A 1 0.367 -2.303 -4.591 1.00 0.41 C ATOM 9 NZ LYS A 1 0.720 -3.691 -4.999 1.00 1.43 N ATOM 0 H1 LYS A 1 1.848 -3.088 -0.314 1.00 72.42 H new ATOM 0 H2 LYS A 1 2.378 -2.627 1.232 1.00 72.42 H new ATOM 0 H3 LYS A 1 0.889 -2.063 0.641 1.00 72.42 H new ATOM 0 HA LYS A 1 3.524 -1.080 0.254 1.00 64.55 H new ATOM 0 HB2 LYS A 1 3.198 -0.455 -2.111 1.00 72.22 H new ATOM 0 HB3 LYS A 1 3.294 -2.194 -1.912 1.00 72.22 H new ATOM 0 HG2 LYS A 1 0.832 -2.364 -2.059 1.00 22.14 H new ATOM 0 HG3 LYS A 1 0.707 -0.622 -2.207 1.00 22.14 H new ATOM 0 HD2 LYS A 1 1.649 -0.596 -4.362 1.00 3.44 H new ATOM 0 HD3 LYS A 1 2.460 -2.133 -4.142 1.00 3.44 H new ATOM 0 HE2 LYS A 1 -0.476 -2.331 -3.901 1.00 0.41 H new ATOM 0 HE3 LYS A 1 0.044 -1.738 -5.466 1.00 0.41 H new ATOM 0 HZ1 LYS A 1 -0.105 -4.142 -5.444 1.00 1.43 H new ATOM 0 HZ2 LYS A 1 1.508 -3.664 -5.677 1.00 1.43 H new ATOM 0 HZ3 LYS A 1 1.003 -4.238 -4.161 1.00 1.43 H new ATOM 23 N PHE A 2 2.335 1.261 -0.267 1.00 51.04 N ATOM 24 CA PHE A 2 1.703 2.554 -0.029 1.00 24.41 C ATOM 25 C PHE A 2 1.467 3.294 -1.342 1.00 42.10 C ATOM 26 O PHE A 2 2.339 3.335 -2.211 1.00 13.22 O ATOM 27 CB PHE A 2 2.571 3.405 0.901 1.00 74.12 C ATOM 28 CG PHE A 2 1.778 4.195 1.903 1.00 63.01 C ATOM 29 CD1 PHE A 2 0.904 3.560 2.770 1.00 12.31 C ATOM 30 CD2 PHE A 2 1.908 5.573 1.977 1.00 33.52 C ATOM 31 CE1 PHE A 2 0.173 4.284 3.694 1.00 45.33 C ATOM 32 CE2 PHE A 2 1.180 6.302 2.899 1.00 65.31 C ATOM 33 CZ PHE A 2 0.311 5.657 3.757 1.00 24.04 C ATOM 0 H PHE A 2 3.234 1.313 -0.747 1.00 51.04 H new ATOM 0 HA PHE A 2 0.738 2.377 0.446 1.00 24.41 H new ATOM 0 HB2 PHE A 2 3.267 2.755 1.431 1.00 74.12 H new ATOM 0 HB3 PHE A 2 3.169 4.091 0.301 1.00 74.12 H new ATOM 0 HD1 PHE A 2 0.792 2.487 2.724 1.00 12.31 H new ATOM 0 HD2 PHE A 2 2.585 6.083 1.307 1.00 33.52 H new ATOM 0 HE1 PHE A 2 -0.504 3.777 4.365 1.00 45.33 H new ATOM 0 HE2 PHE A 2 1.291 7.375 2.948 1.00 65.31 H new ATOM 0 HZ PHE A 2 -0.260 6.225 4.476 1.00 24.04 H new ATOM 43 N LYS A 3 0.282 3.878 -1.480 1.00 74.10 N ATOM 44 CA LYS A 3 -0.072 4.618 -2.686 1.00 24.04 C ATOM 45 C LYS A 3 0.195 6.109 -2.507 1.00 4.04 C ATOM 46 O LYS A 3 -0.526 6.796 -1.783 1.00 73.42 O ATOM 47 CB LYS A 3 -1.544 4.391 -3.035 1.00 52.11 C ATOM 48 CG LYS A 3 -1.765 3.282 -4.049 1.00 43.12 C ATOM 49 CD LYS A 3 -1.424 1.920 -3.469 1.00 34.34 C ATOM 50 CE LYS A 3 -1.667 0.808 -4.477 1.00 61.45 C ATOM 51 NZ LYS A 3 -3.103 0.709 -4.860 1.00 22.12 N ATOM 0 H LYS A 3 -0.451 3.853 -0.771 1.00 74.10 H new ATOM 0 HA LYS A 3 0.549 4.251 -3.503 1.00 24.04 H new ATOM 0 HB2 LYS A 3 -2.092 4.153 -2.123 1.00 52.11 H new ATOM 0 HB3 LYS A 3 -1.963 5.318 -3.426 1.00 52.11 H new ATOM 0 HG2 LYS A 3 -2.805 3.289 -4.376 1.00 43.12 H new ATOM 0 HG3 LYS A 3 -1.152 3.467 -4.931 1.00 43.12 H new ATOM 0 HD2 LYS A 3 -0.380 1.908 -3.157 1.00 34.34 H new ATOM 0 HD3 LYS A 3 -2.025 1.742 -2.578 1.00 34.34 H new ATOM 0 HE2 LYS A 3 -1.065 0.988 -5.368 1.00 61.45 H new ATOM 0 HE3 LYS A 3 -1.337 -0.142 -4.056 1.00 61.45 H new ATOM 0 HZ1 LYS A 3 -3.270 -0.191 -5.353 1.00 22.12 H new ATOM 0 HZ2 LYS A 3 -3.694 0.750 -4.005 1.00 22.12 H new ATOM 0 HZ3 LYS A 3 -3.350 1.499 -5.490 1.00 22.12 H new ATOM 65 N TRP A 4 1.234 6.603 -3.170 1.00 42.02 N ATOM 66 CA TRP A 4 1.595 8.014 -3.085 1.00 33.32 C ATOM 67 C TRP A 4 0.660 8.867 -3.935 1.00 35.04 C ATOM 68 O TRP A 4 0.426 10.037 -3.633 1.00 71.35 O ATOM 69 CB TRP A 4 3.042 8.219 -3.534 1.00 42.42 C ATOM 70 CG TRP A 4 4.049 7.808 -2.502 1.00 54.14 C ATOM 71 CD1 TRP A 4 4.579 6.562 -2.326 1.00 13.03 C ATOM 72 CD2 TRP A 4 4.644 8.645 -1.505 1.00 33.25 C ATOM 73 NE1 TRP A 4 5.468 6.574 -1.278 1.00 35.42 N ATOM 74 CE2 TRP A 4 5.526 7.840 -0.758 1.00 20.51 C ATOM 75 CE3 TRP A 4 4.519 9.996 -1.170 1.00 71.23 C ATOM 76 CZ2 TRP A 4 6.276 8.342 0.301 1.00 5.55 C ATOM 77 CZ3 TRP A 4 5.264 10.493 -0.118 1.00 41.44 C ATOM 78 CH2 TRP A 4 6.134 9.669 0.607 1.00 64.21 C ATOM 0 H TRP A 4 1.842 6.048 -3.773 1.00 42.02 H new ATOM 0 HA TRP A 4 1.497 8.327 -2.045 1.00 33.32 H new ATOM 0 HB2 TRP A 4 3.215 7.650 -4.447 1.00 42.42 H new ATOM 0 HB3 TRP A 4 3.193 9.270 -3.780 1.00 42.42 H new ATOM 0 HD1 TRP A 4 4.336 5.695 -2.922 1.00 13.03 H new ATOM 0 HE1 TRP A 4 5.999 5.770 -0.942 1.00 35.42 H new ATOM 0 HE3 TRP A 4 3.852 10.640 -1.724 1.00 71.23 H new ATOM 0 HZ2 TRP A 4 6.946 7.707 0.862 1.00 5.55 H new ATOM 0 HZ3 TRP A 4 5.174 11.535 0.150 1.00 41.44 H new ATOM 0 HH2 TRP A 4 6.704 10.088 1.423 1.00 64.21 H new ATOM 89 N GLY A 5 0.126 8.274 -4.998 1.00 63.53 N ATOM 90 CA GLY A 5 -0.778 8.995 -5.875 1.00 24.01 C ATOM 91 C GLY A 5 -1.919 9.648 -5.121 1.00 31.54 C ATOM 92 O GLY A 5 -2.406 10.709 -5.512 1.00 22.33 O ATOM 0 H GLY A 5 0.303 7.306 -5.268 1.00 63.53 H new ATOM 0 HA2 GLY A 5 -0.221 9.759 -6.418 1.00 24.01 H new ATOM 0 HA3 GLY A 5 -1.183 8.308 -6.618 1.00 24.01 H new ATOM 96 N LYS A 6 -2.350 9.012 -4.036 1.00 65.33 N ATOM 97 CA LYS A 6 -3.441 9.536 -3.224 1.00 75.34 C ATOM 98 C LYS A 6 -3.088 10.907 -2.657 1.00 32.32 C ATOM 99 O LYS A 6 -3.824 11.876 -2.845 1.00 41.44 O ATOM 100 CB LYS A 6 -3.766 8.568 -2.084 1.00 53.11 C ATOM 101 CG LYS A 6 -5.254 8.333 -1.891 1.00 15.41 C ATOM 102 CD LYS A 6 -5.568 6.857 -1.711 1.00 45.42 C ATOM 103 CE LYS A 6 -7.067 6.609 -1.654 1.00 61.43 C ATOM 104 NZ LYS A 6 -7.556 6.486 -0.253 1.00 51.22 N ATOM 0 H LYS A 6 -1.959 8.132 -3.699 1.00 65.33 H new ATOM 0 HA LYS A 6 -4.318 9.642 -3.863 1.00 75.34 H new ATOM 0 HB2 LYS A 6 -3.278 7.613 -2.279 1.00 53.11 H new ATOM 0 HB3 LYS A 6 -3.345 8.957 -1.157 1.00 53.11 H new ATOM 0 HG2 LYS A 6 -5.601 8.888 -1.020 1.00 15.41 H new ATOM 0 HG3 LYS A 6 -5.799 8.719 -2.752 1.00 15.41 H new ATOM 0 HD2 LYS A 6 -5.135 6.289 -2.534 1.00 45.42 H new ATOM 0 HD3 LYS A 6 -5.103 6.494 -0.794 1.00 45.42 H new ATOM 0 HE2 LYS A 6 -7.589 7.427 -2.151 1.00 61.43 H new ATOM 0 HE3 LYS A 6 -7.306 5.698 -2.203 1.00 61.43 H new ATOM 0 HZ1 LYS A 6 -8.582 6.318 -0.257 1.00 51.22 H new ATOM 0 HZ2 LYS A 6 -7.076 5.690 0.214 1.00 51.22 H new ATOM 0 HZ3 LYS A 6 -7.351 7.365 0.264 1.00 51.22 H new ATOM 118 N LEU A 7 -1.958 10.981 -1.963 1.00 10.14 N ATOM 119 CA LEU A 7 -1.506 12.235 -1.369 1.00 30.53 C ATOM 120 C LEU A 7 -1.184 13.264 -2.448 1.00 33.53 C ATOM 121 O LEU A 7 -1.532 14.438 -2.324 1.00 12.02 O ATOM 122 CB LEU A 7 -0.274 11.993 -0.495 1.00 20.41 C ATOM 123 CG LEU A 7 -0.467 11.047 0.691 1.00 14.00 C ATOM 124 CD1 LEU A 7 0.829 10.898 1.472 1.00 41.11 C ATOM 125 CD2 LEU A 7 -1.583 11.548 1.597 1.00 41.55 C ATOM 0 H LEU A 7 -1.338 10.188 -1.798 1.00 10.14 H new ATOM 0 HA LEU A 7 -2.313 12.626 -0.749 1.00 30.53 H new ATOM 0 HB2 LEU A 7 0.521 11.595 -1.125 1.00 20.41 H new ATOM 0 HB3 LEU A 7 0.071 12.954 -0.115 1.00 20.41 H new ATOM 0 HG LEU A 7 -0.750 10.067 0.307 1.00 14.00 H new ATOM 0 HD11 LEU A 7 0.672 10.221 2.312 1.00 41.11 H new ATOM 0 HD12 LEU A 7 1.603 10.493 0.819 1.00 41.11 H new ATOM 0 HD13 LEU A 7 1.143 11.873 1.845 1.00 41.11 H new ATOM 0 HD21 LEU A 7 -1.706 10.863 2.435 1.00 41.55 H new ATOM 0 HD22 LEU A 7 -1.329 12.539 1.973 1.00 41.55 H new ATOM 0 HD23 LEU A 7 -2.514 11.602 1.032 1.00 41.55 H new ATOM 137 N PHE A 8 -0.520 12.814 -3.507 1.00 44.21 N ATOM 138 CA PHE A 8 -0.152 13.696 -4.609 1.00 62.41 C ATOM 139 C PHE A 8 -1.392 14.313 -5.249 1.00 70.42 C ATOM 140 O PHE A 8 -1.519 15.534 -5.331 1.00 41.20 O ATOM 141 CB PHE A 8 0.649 12.925 -5.661 1.00 10.11 C ATOM 142 CG PHE A 8 2.133 13.130 -5.553 1.00 50.23 C ATOM 143 CD1 PHE A 8 2.860 12.512 -4.549 1.00 1.23 C ATOM 144 CD2 PHE A 8 2.801 13.942 -6.456 1.00 72.54 C ATOM 145 CE1 PHE A 8 4.226 12.698 -4.447 1.00 51.50 C ATOM 146 CE2 PHE A 8 4.166 14.131 -6.360 1.00 4.20 C ATOM 147 CZ PHE A 8 4.880 13.510 -5.353 1.00 73.04 C ATOM 0 H PHE A 8 -0.226 11.845 -3.626 1.00 44.21 H new ATOM 0 HA PHE A 8 0.466 14.499 -4.208 1.00 62.41 H new ATOM 0 HB2 PHE A 8 0.429 11.862 -5.566 1.00 10.11 H new ATOM 0 HB3 PHE A 8 0.319 13.231 -6.654 1.00 10.11 H new ATOM 0 HD1 PHE A 8 2.353 11.877 -3.837 1.00 1.23 H new ATOM 0 HD2 PHE A 8 2.248 14.432 -7.244 1.00 72.54 H new ATOM 0 HE1 PHE A 8 4.781 12.209 -3.660 1.00 51.50 H new ATOM 0 HE2 PHE A 8 4.675 14.764 -7.072 1.00 4.20 H new ATOM 0 HZ PHE A 8 5.947 13.659 -5.275 1.00 73.04 H new ATOM 157 N SER A 9 -2.304 13.458 -5.702 1.00 51.31 N ATOM 158 CA SER A 9 -3.533 13.918 -6.339 1.00 45.21 C ATOM 159 C SER A 9 -4.317 14.837 -5.407 1.00 21.51 C ATOM 160 O SER A 9 -4.661 15.962 -5.769 1.00 1.31 O ATOM 161 CB SER A 9 -4.399 12.725 -6.745 1.00 70.45 C ATOM 162 OG SER A 9 -5.454 13.128 -7.601 1.00 14.23 O ATOM 0 H SER A 9 -2.215 12.444 -5.640 1.00 51.31 H new ATOM 0 HA SER A 9 -3.262 14.481 -7.232 1.00 45.21 H new ATOM 0 HB2 SER A 9 -3.783 11.979 -7.248 1.00 70.45 H new ATOM 0 HB3 SER A 9 -4.810 12.251 -5.854 1.00 70.45 H new ATOM 0 HG SER A 9 -5.992 12.347 -7.847 1.00 14.23 H new ATOM 168 N THR A 10 -4.597 14.348 -4.203 1.00 33.43 N ATOM 169 CA THR A 10 -5.342 15.122 -3.218 1.00 1.02 C ATOM 170 C THR A 10 -4.735 16.508 -3.035 1.00 43.33 C ATOM 171 O THR A 10 -5.390 17.520 -3.282 1.00 2.40 O ATOM 172 CB THR A 10 -5.381 14.407 -1.854 1.00 4.31 C ATOM 173 OG1 THR A 10 -5.997 13.122 -1.991 1.00 54.44 O ATOM 174 CG2 THR A 10 -6.144 15.235 -0.831 1.00 23.13 C ATOM 0 H THR A 10 -4.319 13.419 -3.887 1.00 33.43 H new ATOM 0 HA THR A 10 -6.359 15.221 -3.597 1.00 1.02 H new ATOM 0 HB THR A 10 -4.356 14.282 -1.505 1.00 4.31 H new ATOM 0 HG1 THR A 10 -5.354 12.490 -2.375 1.00 54.44 H new ATOM 0 HG21 THR A 10 -6.158 14.710 0.124 1.00 23.13 H new ATOM 0 HG22 THR A 10 -5.655 16.201 -0.707 1.00 23.13 H new ATOM 0 HG23 THR A 10 -7.166 15.388 -1.176 1.00 23.13 H new ATOM 182 N ALA A 11 -3.479 16.547 -2.602 1.00 61.12 N ATOM 183 CA ALA A 11 -2.783 17.810 -2.389 1.00 64.45 C ATOM 184 C ALA A 11 -2.892 18.710 -3.615 1.00 50.22 C ATOM 185 O ALA A 11 -3.246 19.884 -3.506 1.00 54.35 O ATOM 186 CB ALA A 11 -1.322 17.556 -2.047 1.00 60.23 C ATOM 0 H ALA A 11 -2.923 15.718 -2.392 1.00 61.12 H new ATOM 0 HA ALA A 11 -3.258 18.321 -1.552 1.00 64.45 H new ATOM 0 HB1 ALA A 11 -0.814 18.508 -1.891 1.00 60.23 H new ATOM 0 HB2 ALA A 11 -1.260 16.958 -1.138 1.00 60.23 H new ATOM 0 HB3 ALA A 11 -0.844 17.020 -2.867 1.00 60.23 H new ATOM 192 N LYS A 12 -2.585 18.153 -4.782 1.00 1.51 N ATOM 193 CA LYS A 12 -2.649 18.905 -6.029 1.00 40.45 C ATOM 194 C LYS A 12 -3.990 19.619 -6.166 1.00 71.04 C ATOM 195 O LYS A 12 -4.045 20.796 -6.523 1.00 75.04 O ATOM 196 CB LYS A 12 -2.431 17.972 -7.223 1.00 15.51 C ATOM 197 CG LYS A 12 -1.838 18.666 -8.437 1.00 11.11 C ATOM 198 CD LYS A 12 -1.982 17.818 -9.690 1.00 13.24 C ATOM 199 CE LYS A 12 -0.702 17.813 -10.510 1.00 4.51 C ATOM 200 NZ LYS A 12 -0.346 19.177 -10.992 1.00 13.14 N ATOM 0 H LYS A 12 -2.289 17.183 -4.890 1.00 1.51 H new ATOM 0 HA LYS A 12 -1.858 19.655 -6.013 1.00 40.45 H new ATOM 0 HB2 LYS A 12 -1.771 17.158 -6.922 1.00 15.51 H new ATOM 0 HB3 LYS A 12 -3.384 17.523 -7.501 1.00 15.51 H new ATOM 0 HG2 LYS A 12 -2.333 19.625 -8.587 1.00 11.11 H new ATOM 0 HG3 LYS A 12 -0.784 18.876 -8.258 1.00 11.11 H new ATOM 0 HD2 LYS A 12 -2.241 16.796 -9.411 1.00 13.24 H new ATOM 0 HD3 LYS A 12 -2.803 18.200 -10.297 1.00 13.24 H new ATOM 0 HE2 LYS A 12 0.114 17.417 -9.906 1.00 4.51 H new ATOM 0 HE3 LYS A 12 -0.820 17.146 -11.364 1.00 4.51 H new ATOM 0 HZ1 LYS A 12 0.463 19.115 -11.643 1.00 13.14 H new ATOM 0 HZ2 LYS A 12 -1.159 19.593 -11.489 1.00 13.14 H new ATOM 0 HZ3 LYS A 12 -0.092 19.777 -10.181 1.00 13.14 H new ATOM 214 N LYS A 13 -5.070 18.900 -5.879 1.00 22.20 N ATOM 215 CA LYS A 13 -6.411 19.464 -5.967 1.00 53.20 C ATOM 216 C LYS A 13 -6.583 20.616 -4.981 1.00 61.35 C ATOM 217 O LYS A 13 -7.090 21.681 -5.337 1.00 62.52 O ATOM 218 CB LYS A 13 -7.460 18.384 -5.693 1.00 53.13 C ATOM 219 CG LYS A 13 -8.433 18.176 -6.841 1.00 13.50 C ATOM 220 CD LYS A 13 -7.842 17.283 -7.919 1.00 11.33 C ATOM 221 CE LYS A 13 -8.927 16.545 -8.688 1.00 1.20 C ATOM 222 NZ LYS A 13 -8.837 16.797 -10.153 1.00 21.20 N ATOM 0 H LYS A 13 -5.042 17.924 -5.583 1.00 22.20 H new ATOM 0 HA LYS A 13 -6.550 19.849 -6.977 1.00 53.20 H new ATOM 0 HB2 LYS A 13 -6.953 17.442 -5.482 1.00 53.13 H new ATOM 0 HB3 LYS A 13 -8.020 18.652 -4.797 1.00 53.13 H new ATOM 0 HG2 LYS A 13 -9.353 17.731 -6.463 1.00 13.50 H new ATOM 0 HG3 LYS A 13 -8.700 19.141 -7.272 1.00 13.50 H new ATOM 0 HD2 LYS A 13 -7.252 17.886 -8.609 1.00 11.33 H new ATOM 0 HD3 LYS A 13 -7.163 16.562 -7.464 1.00 11.33 H new ATOM 0 HE2 LYS A 13 -8.843 15.475 -8.498 1.00 1.20 H new ATOM 0 HE3 LYS A 13 -9.906 16.858 -8.325 1.00 1.20 H new ATOM 0 HZ1 LYS A 13 -9.593 16.277 -10.642 1.00 21.20 H new ATOM 0 HZ2 LYS A 13 -8.942 17.815 -10.337 1.00 21.20 H new ATOM 0 HZ3 LYS A 13 -7.913 16.475 -10.504 1.00 21.20 H new ATOM 236 N LEU A 14 -6.157 20.396 -3.743 1.00 3.44 N ATOM 237 CA LEU A 14 -6.262 21.417 -2.705 1.00 63.14 C ATOM 238 C LEU A 14 -5.623 22.725 -3.162 1.00 34.12 C ATOM 239 O LEU A 14 -6.187 23.803 -2.971 1.00 34.42 O ATOM 240 CB LEU A 14 -5.595 20.933 -1.417 1.00 24.03 C ATOM 241 CG LEU A 14 -6.445 20.036 -0.517 1.00 30.13 C ATOM 242 CD1 LEU A 14 -7.151 20.863 0.547 1.00 73.53 C ATOM 243 CD2 LEU A 14 -7.454 19.253 -1.344 1.00 53.41 C ATOM 0 H LEU A 14 -5.736 19.521 -3.432 1.00 3.44 H new ATOM 0 HA LEU A 14 -7.320 21.598 -2.513 1.00 63.14 H new ATOM 0 HB2 LEU A 14 -4.687 20.391 -1.683 1.00 24.03 H new ATOM 0 HB3 LEU A 14 -5.288 21.806 -0.841 1.00 24.03 H new ATOM 0 HG LEU A 14 -5.786 19.326 -0.018 1.00 30.13 H new ATOM 0 HD11 LEU A 14 -7.751 20.208 1.178 1.00 73.53 H new ATOM 0 HD12 LEU A 14 -6.410 21.377 1.159 1.00 73.53 H new ATOM 0 HD13 LEU A 14 -7.798 21.597 0.067 1.00 73.53 H new ATOM 0 HD21 LEU A 14 -8.050 18.620 -0.687 1.00 53.41 H new ATOM 0 HD22 LEU A 14 -8.109 19.947 -1.871 1.00 53.41 H new ATOM 0 HD23 LEU A 14 -6.927 18.631 -2.067 1.00 53.41 H new ATOM 255 N TYR A 15 -4.445 22.622 -3.767 1.00 55.52 N ATOM 256 CA TYR A 15 -3.730 23.797 -4.251 1.00 11.30 C ATOM 257 C TYR A 15 -4.494 24.471 -5.387 1.00 32.03 C ATOM 258 O TYR A 15 -4.869 25.640 -5.292 1.00 30.13 O ATOM 259 CB TYR A 15 -2.329 23.408 -4.725 1.00 22.22 C ATOM 260 CG TYR A 15 -1.586 24.534 -5.407 1.00 63.24 C ATOM 261 CD1 TYR A 15 -1.736 24.766 -6.769 1.00 51.51 C ATOM 262 CD2 TYR A 15 -0.733 25.364 -4.691 1.00 45.24 C ATOM 263 CE1 TYR A 15 -1.059 25.794 -7.397 1.00 63.43 C ATOM 264 CE2 TYR A 15 -0.052 26.395 -5.311 1.00 33.40 C ATOM 265 CZ TYR A 15 -0.218 26.605 -6.664 1.00 14.10 C ATOM 266 OH TYR A 15 0.459 27.630 -7.285 1.00 75.41 O ATOM 0 H TYR A 15 -3.965 21.738 -3.934 1.00 55.52 H new ATOM 0 HA TYR A 15 -3.644 24.504 -3.426 1.00 11.30 H new ATOM 0 HB2 TYR A 15 -1.747 23.066 -3.869 1.00 22.22 H new ATOM 0 HB3 TYR A 15 -2.408 22.567 -5.414 1.00 22.22 H new ATOM 0 HD1 TYR A 15 -2.393 24.132 -7.346 1.00 51.51 H new ATOM 0 HD2 TYR A 15 -0.599 25.201 -3.632 1.00 45.24 H new ATOM 0 HE1 TYR A 15 -1.188 25.962 -8.456 1.00 63.43 H new ATOM 0 HE2 TYR A 15 0.606 27.032 -4.739 1.00 33.40 H new ATOM 0 HH TYR A 15 1.008 28.106 -6.627 1.00 75.41 H new ATOM 276 N LYS A 16 -4.723 23.724 -6.462 1.00 5.42 N ATOM 277 CA LYS A 16 -5.443 24.246 -7.617 1.00 35.20 C ATOM 278 C LYS A 16 -6.771 24.868 -7.195 1.00 22.43 C ATOM 279 O LYS A 16 -7.007 26.057 -7.408 1.00 71.12 O ATOM 280 CB LYS A 16 -5.692 23.131 -8.635 1.00 64.51 C ATOM 281 CG LYS A 16 -4.990 23.353 -9.964 1.00 23.33 C ATOM 282 CD LYS A 16 -5.434 24.650 -10.619 1.00 61.41 C ATOM 283 CE LYS A 16 -5.352 24.564 -12.135 1.00 54.35 C ATOM 284 NZ LYS A 16 -6.692 24.362 -12.752 1.00 75.15 N ATOM 0 H LYS A 16 -4.420 22.755 -6.557 1.00 5.42 H new ATOM 0 HA LYS A 16 -4.829 25.020 -8.077 1.00 35.20 H new ATOM 0 HB2 LYS A 16 -5.359 22.183 -8.212 1.00 64.51 H new ATOM 0 HB3 LYS A 16 -6.764 23.043 -8.810 1.00 64.51 H new ATOM 0 HG2 LYS A 16 -3.911 23.374 -9.808 1.00 23.33 H new ATOM 0 HG3 LYS A 16 -5.199 22.517 -10.631 1.00 23.33 H new ATOM 0 HD2 LYS A 16 -6.457 24.878 -10.321 1.00 61.41 H new ATOM 0 HD3 LYS A 16 -4.809 25.470 -10.265 1.00 61.41 H new ATOM 0 HE2 LYS A 16 -4.906 25.478 -12.527 1.00 54.35 H new ATOM 0 HE3 LYS A 16 -4.695 23.742 -12.417 1.00 54.35 H new ATOM 0 HZ1 LYS A 16 -6.594 24.309 -13.786 1.00 75.15 H new ATOM 0 HZ2 LYS A 16 -7.108 23.477 -12.398 1.00 75.15 H new ATOM 0 HZ3 LYS A 16 -7.312 25.159 -12.504 1.00 75.15 H new ATOM 298 N LYS A 17 -7.634 24.056 -6.593 1.00 51.31 N ATOM 299 CA LYS A 17 -8.937 24.527 -6.138 1.00 20.53 C ATOM 300 C LYS A 17 -8.793 25.774 -5.272 1.00 40.10 C ATOM 301 O LYS A 17 -9.462 26.781 -5.501 1.00 44.02 O ATOM 302 CB LYS A 17 -9.653 23.426 -5.351 1.00 4.44 C ATOM 303 CG LYS A 17 -11.143 23.667 -5.187 1.00 75.14 C ATOM 304 CD LYS A 17 -11.956 22.471 -5.655 1.00 23.22 C ATOM 305 CE LYS A 17 -13.443 22.788 -5.696 1.00 4.52 C ATOM 306 NZ LYS A 17 -14.022 22.911 -4.329 1.00 65.13 N ATOM 0 H LYS A 17 -7.455 23.069 -6.409 1.00 51.31 H new ATOM 0 HA LYS A 17 -9.530 24.783 -7.016 1.00 20.53 H new ATOM 0 HB2 LYS A 17 -9.501 22.472 -5.856 1.00 4.44 H new ATOM 0 HB3 LYS A 17 -9.197 23.340 -4.365 1.00 4.44 H new ATOM 0 HG2 LYS A 17 -11.366 23.873 -4.140 1.00 75.14 H new ATOM 0 HG3 LYS A 17 -11.434 24.551 -5.755 1.00 75.14 H new ATOM 0 HD2 LYS A 17 -11.620 22.167 -6.647 1.00 23.22 H new ATOM 0 HD3 LYS A 17 -11.781 21.627 -4.987 1.00 23.22 H new ATOM 0 HE2 LYS A 17 -13.601 23.718 -6.242 1.00 4.52 H new ATOM 0 HE3 LYS A 17 -13.967 22.004 -6.243 1.00 4.52 H new ATOM 0 HZ1 LYS A 17 -15.037 23.127 -4.400 1.00 65.13 H new ATOM 0 HZ2 LYS A 17 -13.894 22.015 -3.816 1.00 65.13 H new ATOM 0 HZ3 LYS A 17 -13.540 23.676 -3.815 1.00 65.13 H new ATOM 320 N GLY A 18 -7.914 25.700 -4.277 1.00 14.43 N ATOM 321 CA GLY A 18 -7.698 26.831 -3.393 1.00 21.00 C ATOM 322 C GLY A 18 -7.401 28.110 -4.150 1.00 40.11 C ATOM 323 O GLY A 18 -8.110 29.106 -4.005 1.00 34.23 O ATOM 0 H GLY A 18 -7.348 24.878 -4.067 1.00 14.43 H new ATOM 0 HA2 GLY A 18 -8.582 26.977 -2.772 1.00 21.00 H new ATOM 0 HA3 GLY A 18 -6.869 26.610 -2.721 1.00 21.00 H new ATOM 327 N LYS A 19 -6.348 28.085 -4.960 1.00 51.43 N ATOM 328 CA LYS A 19 -5.957 29.251 -5.744 1.00 13.54 C ATOM 329 C LYS A 19 -7.141 29.796 -6.537 1.00 31.22 C ATOM 330 O LYS A 19 -7.507 30.964 -6.404 1.00 23.14 O ATOM 331 CB LYS A 19 -4.814 28.892 -6.695 1.00 40.33 C ATOM 332 CG LYS A 19 -3.850 30.039 -6.948 1.00 31.41 C ATOM 333 CD LYS A 19 -3.985 30.579 -8.361 1.00 51.45 C ATOM 334 CE LYS A 19 -2.871 30.069 -9.262 1.00 70.24 C ATOM 335 NZ LYS A 19 -1.527 30.484 -8.772 1.00 74.53 N ATOM 0 H LYS A 19 -5.750 27.269 -5.091 1.00 51.43 H new ATOM 0 HA LYS A 19 -5.618 30.024 -5.054 1.00 13.54 H new ATOM 0 HB2 LYS A 19 -4.261 28.048 -6.283 1.00 40.33 H new ATOM 0 HB3 LYS A 19 -5.233 28.564 -7.646 1.00 40.33 H new ATOM 0 HG2 LYS A 19 -4.039 30.839 -6.232 1.00 31.41 H new ATOM 0 HG3 LYS A 19 -2.827 29.699 -6.784 1.00 31.41 H new ATOM 0 HD2 LYS A 19 -4.951 30.286 -8.773 1.00 51.45 H new ATOM 0 HD3 LYS A 19 -3.966 31.669 -8.338 1.00 51.45 H new ATOM 0 HE2 LYS A 19 -2.918 28.981 -9.317 1.00 70.24 H new ATOM 0 HE3 LYS A 19 -3.021 30.446 -10.274 1.00 70.24 H new ATOM 0 HZ1 LYS A 19 -0.876 30.572 -9.578 1.00 74.53 H new ATOM 0 HZ2 LYS A 19 -1.602 31.400 -8.286 1.00 74.53 H new ATOM 0 HZ3 LYS A 19 -1.163 29.770 -8.110 1.00 74.53 H new ATOM 349 N LYS A 20 -7.738 28.942 -7.361 1.00 63.34 N ATOM 350 CA LYS A 20 -8.882 29.335 -8.174 1.00 53.24 C ATOM 351 C LYS A 20 -10.007 29.883 -7.302 1.00 1.33 C ATOM 352 O LYS A 20 -10.790 30.728 -7.738 1.00 71.34 O ATOM 353 CB LYS A 20 -9.389 28.143 -8.989 1.00 14.00 C ATOM 354 CG LYS A 20 -8.374 27.611 -9.986 1.00 11.43 C ATOM 355 CD LYS A 20 -8.528 28.273 -11.345 1.00 60.20 C ATOM 356 CE LYS A 20 -7.329 27.995 -12.239 1.00 74.41 C ATOM 357 NZ LYS A 20 -6.633 29.249 -12.640 1.00 33.34 N ATOM 0 H LYS A 20 -7.448 27.972 -7.483 1.00 63.34 H new ATOM 0 HA LYS A 20 -8.558 30.122 -8.855 1.00 53.24 H new ATOM 0 HB2 LYS A 20 -9.670 27.341 -8.307 1.00 14.00 H new ATOM 0 HB3 LYS A 20 -10.292 28.437 -9.524 1.00 14.00 H new ATOM 0 HG2 LYS A 20 -7.366 27.784 -9.608 1.00 11.43 H new ATOM 0 HG3 LYS A 20 -8.495 26.533 -10.090 1.00 11.43 H new ATOM 0 HD2 LYS A 20 -9.435 27.909 -11.827 1.00 60.20 H new ATOM 0 HD3 LYS A 20 -8.645 29.349 -11.216 1.00 60.20 H new ATOM 0 HE2 LYS A 20 -6.630 27.343 -11.716 1.00 74.41 H new ATOM 0 HE3 LYS A 20 -7.657 27.461 -13.131 1.00 74.41 H new ATOM 0 HZ1 LYS A 20 -5.822 29.017 -13.248 1.00 33.34 H new ATOM 0 HZ2 LYS A 20 -7.293 29.861 -13.161 1.00 33.34 H new ATOM 0 HZ3 LYS A 20 -6.297 29.747 -11.791 1.00 33.34 H new ATOM 371 N LEU A 21 -10.080 29.399 -6.067 1.00 15.43 N ATOM 372 CA LEU A 21 -11.109 29.842 -5.132 1.00 2.35 C ATOM 373 C LEU A 21 -10.919 31.312 -4.769 1.00 71.15 C ATOM 374 O LEU A 21 -11.838 31.963 -4.273 1.00 73.11 O ATOM 375 CB LEU A 21 -11.077 28.985 -3.865 1.00 14.10 C ATOM 376 CG LEU A 21 -12.344 28.183 -3.566 1.00 33.11 C ATOM 377 CD1 LEU A 21 -12.019 26.704 -3.428 1.00 33.34 C ATOM 378 CD2 LEU A 21 -13.020 28.703 -2.305 1.00 65.41 C ATOM 0 H LEU A 21 -9.440 28.700 -5.690 1.00 15.43 H new ATOM 0 HA LEU A 21 -12.079 29.729 -5.617 1.00 2.35 H new ATOM 0 HB2 LEU A 21 -10.241 28.290 -3.941 1.00 14.10 H new ATOM 0 HB3 LEU A 21 -10.874 29.636 -3.015 1.00 14.10 H new ATOM 0 HG LEU A 21 -13.034 28.306 -4.401 1.00 33.11 H new ATOM 0 HD11 LEU A 21 -12.933 26.149 -3.215 1.00 33.34 H new ATOM 0 HD12 LEU A 21 -11.581 26.339 -4.357 1.00 33.34 H new ATOM 0 HD13 LEU A 21 -11.310 26.562 -2.612 1.00 33.34 H new ATOM 0 HD21 LEU A 21 -13.920 28.120 -2.108 1.00 65.41 H new ATOM 0 HD22 LEU A 21 -12.336 28.611 -1.461 1.00 65.41 H new ATOM 0 HD23 LEU A 21 -13.289 29.750 -2.442 1.00 65.41 H new ATOM 390 N SER A 22 -9.721 31.829 -5.023 1.00 70.32 N ATOM 391 CA SER A 22 -9.410 33.221 -4.723 1.00 10.24 C ATOM 392 C SER A 22 -10.147 34.160 -5.673 1.00 64.14 C ATOM 393 O SER A 22 -10.599 35.235 -5.278 1.00 24.41 O ATOM 394 CB SER A 22 -7.902 33.461 -4.818 1.00 10.13 C ATOM 395 OG SER A 22 -7.483 34.449 -3.892 1.00 33.22 O ATOM 0 H SER A 22 -8.950 31.304 -5.436 1.00 70.32 H new ATOM 0 HA SER A 22 -9.740 33.430 -3.705 1.00 10.24 H new ATOM 0 HB2 SER A 22 -7.370 32.529 -4.626 1.00 10.13 H new ATOM 0 HB3 SER A 22 -7.643 33.773 -5.830 1.00 10.13 H new ATOM 0 HG SER A 22 -6.515 34.583 -3.972 1.00 33.22 H new ATOM 401 N LYS A 23 -10.264 33.746 -6.931 1.00 22.25 N ATOM 402 CA LYS A 23 -10.946 34.547 -7.940 1.00 30.30 C ATOM 403 C LYS A 23 -12.340 33.996 -8.221 1.00 34.33 C ATOM 404 O LYS A 23 -12.887 34.189 -9.305 1.00 55.24 O ATOM 405 CB LYS A 23 -10.129 34.578 -9.233 1.00 43.54 C ATOM 406 CG LYS A 23 -8.999 35.594 -9.214 1.00 72.25 C ATOM 407 CD LYS A 23 -9.527 37.017 -9.283 1.00 34.15 C ATOM 408 CE LYS A 23 -8.450 37.990 -9.737 1.00 74.13 C ATOM 409 NZ LYS A 23 -8.880 39.407 -9.579 1.00 75.20 N ATOM 0 H LYS A 23 -9.895 32.860 -7.275 1.00 22.25 H new ATOM 0 HA LYS A 23 -11.046 35.562 -7.556 1.00 30.30 H new ATOM 0 HB2 LYS A 23 -9.713 33.587 -9.414 1.00 43.54 H new ATOM 0 HB3 LYS A 23 -10.793 34.802 -10.068 1.00 43.54 H new ATOM 0 HG2 LYS A 23 -8.410 35.467 -8.306 1.00 72.25 H new ATOM 0 HG3 LYS A 23 -8.331 35.412 -10.055 1.00 72.25 H new ATOM 0 HD2 LYS A 23 -10.371 37.060 -9.971 1.00 34.15 H new ATOM 0 HD3 LYS A 23 -9.899 37.316 -8.303 1.00 34.15 H new ATOM 0 HE2 LYS A 23 -7.541 37.820 -9.160 1.00 74.13 H new ATOM 0 HE3 LYS A 23 -8.205 37.799 -10.782 1.00 74.13 H new ATOM 0 HZ1 LYS A 23 -8.118 40.039 -9.899 1.00 75.20 H new ATOM 0 HZ2 LYS A 23 -9.733 39.577 -10.149 1.00 75.20 H new ATOM 0 HZ3 LYS A 23 -9.089 39.597 -8.578 1.00 75.20 H new ATOM 423 N ASN A 24 -12.910 33.310 -7.235 1.00 71.31 N ATOM 424 CA ASN A 24 -14.242 32.732 -7.376 1.00 64.34 C ATOM 425 C ASN A 24 -15.144 33.154 -6.221 1.00 4.41 C ATOM 426 O ASN A 24 -16.116 32.472 -5.895 1.00 44.34 O ATOM 427 CB ASN A 24 -14.154 31.205 -7.438 1.00 2.44 C ATOM 428 CG ASN A 24 -14.648 30.650 -8.760 1.00 2.43 C ATOM 429 OD1 ASN A 24 -15.417 29.690 -8.794 1.00 23.43 O ATOM 430 ND2 ASN A 24 -14.206 31.255 -9.857 1.00 35.33 N ATOM 0 H ASN A 24 -12.470 33.141 -6.330 1.00 71.31 H new ATOM 0 HA ASN A 24 -14.675 33.103 -8.305 1.00 64.34 H new ATOM 0 HB2 ASN A 24 -13.120 30.897 -7.281 1.00 2.44 H new ATOM 0 HB3 ASN A 24 -14.741 30.777 -6.625 1.00 2.44 H new ATOM 0 HD21 ASN A 24 -14.504 30.927 -10.776 1.00 35.33 H new ATOM 0 HD22 ASN A 24 -13.569 32.048 -9.781 1.00 35.33 H new ATOM 437 N LYS A 25 -14.815 34.285 -5.604 1.00 73.42 N ATOM 438 CA LYS A 25 -15.595 34.801 -4.486 1.00 15.11 C ATOM 439 C LYS A 25 -16.836 35.537 -4.982 1.00 32.21 C ATOM 440 O LYS A 25 -17.837 35.632 -4.273 1.00 53.14 O ATOM 441 CB LYS A 25 -14.741 35.740 -3.631 1.00 64.33 C ATOM 442 CG LYS A 25 -14.094 36.863 -4.423 1.00 13.42 C ATOM 443 CD LYS A 25 -13.567 37.957 -3.509 1.00 43.13 C ATOM 444 CE LYS A 25 -12.281 38.563 -4.051 1.00 11.34 C ATOM 445 NZ LYS A 25 -11.336 38.926 -2.958 1.00 52.44 N ATOM 0 H LYS A 25 -14.013 34.861 -5.860 1.00 73.42 H new ATOM 0 HA LYS A 25 -15.914 33.955 -3.878 1.00 15.11 H new ATOM 0 HB2 LYS A 25 -15.364 36.171 -2.847 1.00 64.33 H new ATOM 0 HB3 LYS A 25 -13.962 35.160 -3.136 1.00 64.33 H new ATOM 0 HG2 LYS A 25 -13.276 36.463 -5.022 1.00 13.42 H new ATOM 0 HG3 LYS A 25 -14.821 37.286 -5.117 1.00 13.42 H new ATOM 0 HD2 LYS A 25 -14.321 38.737 -3.401 1.00 43.13 H new ATOM 0 HD3 LYS A 25 -13.387 37.547 -2.515 1.00 43.13 H new ATOM 0 HE2 LYS A 25 -11.801 37.854 -4.725 1.00 11.34 H new ATOM 0 HE3 LYS A 25 -12.517 39.451 -4.637 1.00 11.34 H new ATOM 0 HZ1 LYS A 25 -10.472 39.336 -3.368 1.00 52.44 H new ATOM 0 HZ2 LYS A 25 -11.784 39.622 -2.328 1.00 52.44 H new ATOM 0 HZ3 LYS A 25 -11.091 38.074 -2.414 1.00 52.44 H new ATOM 459 N ASN A 26 -16.763 36.054 -6.204 1.00 41.10 N ATOM 460 CA ASN A 26 -17.881 36.780 -6.795 1.00 11.51 C ATOM 461 C ASN A 26 -18.971 35.818 -7.257 1.00 51.45 C ATOM 462 O ASN A 26 -20.095 36.230 -7.548 1.00 64.42 O ATOM 463 CB ASN A 26 -17.399 37.628 -7.974 1.00 55.30 C ATOM 464 CG ASN A 26 -16.442 38.723 -7.546 1.00 5.12 C ATOM 465 OD1 ASN A 26 -16.448 39.153 -6.392 1.00 72.12 O ATOM 466 ND2 ASN A 26 -15.611 39.180 -8.476 1.00 55.02 N ATOM 0 H ASN A 26 -15.941 35.984 -6.804 1.00 41.10 H new ATOM 0 HA ASN A 26 -18.300 37.436 -6.032 1.00 11.51 H new ATOM 0 HB2 ASN A 26 -16.907 36.985 -8.704 1.00 55.30 H new ATOM 0 HB3 ASN A 26 -18.259 38.075 -8.472 1.00 55.30 H new ATOM 0 HD21 ASN A 26 -14.943 39.916 -8.246 1.00 55.02 H new ATOM 0 HD22 ASN A 26 -15.640 38.795 -9.420 1.00 55.02 H new ATOM 473 N PHE A 27 -18.631 34.535 -7.323 1.00 14.33 N ATOM 474 CA PHE A 27 -19.581 33.514 -7.750 1.00 45.01 C ATOM 475 C PHE A 27 -20.879 33.612 -6.955 1.00 73.30 C ATOM 476 O PHE A 27 -21.965 33.372 -7.484 1.00 63.24 O ATOM 477 CB PHE A 27 -18.971 32.120 -7.584 1.00 55.22 C ATOM 478 CG PHE A 27 -18.983 31.307 -8.847 1.00 22.11 C ATOM 479 CD1 PHE A 27 -20.152 30.711 -9.292 1.00 62.11 C ATOM 480 CD2 PHE A 27 -17.825 31.139 -9.589 1.00 21.11 C ATOM 481 CE1 PHE A 27 -20.165 29.961 -10.453 1.00 43.43 C ATOM 482 CE2 PHE A 27 -17.832 30.391 -10.751 1.00 62.22 C ATOM 483 CZ PHE A 27 -19.004 29.802 -11.184 1.00 44.23 C ATOM 0 H PHE A 27 -17.705 34.178 -7.086 1.00 14.33 H new ATOM 0 HA PHE A 27 -19.808 33.681 -8.803 1.00 45.01 H new ATOM 0 HB2 PHE A 27 -17.943 32.221 -7.236 1.00 55.22 H new ATOM 0 HB3 PHE A 27 -19.518 31.582 -6.810 1.00 55.22 H new ATOM 0 HD1 PHE A 27 -21.063 30.834 -8.725 1.00 62.11 H new ATOM 0 HD2 PHE A 27 -16.906 31.598 -9.255 1.00 21.11 H new ATOM 0 HE1 PHE A 27 -21.082 29.500 -10.788 1.00 43.43 H new ATOM 0 HE2 PHE A 27 -16.922 30.267 -11.320 1.00 62.22 H new ATOM 0 HZ PHE A 27 -19.012 29.218 -12.093 1.00 44.23 H new ATOM 493 N LYS A 28 -20.760 33.965 -5.680 1.00 11.22 N ATOM 494 CA LYS A 28 -21.923 34.096 -4.810 1.00 23.13 C ATOM 495 C LYS A 28 -22.857 35.193 -5.311 1.00 22.32 C ATOM 496 O LYS A 28 -24.026 34.941 -5.605 1.00 4.13 O ATOM 497 CB LYS A 28 -21.481 34.403 -3.377 1.00 32.32 C ATOM 498 CG LYS A 28 -20.371 33.495 -2.875 1.00 15.21 C ATOM 499 CD LYS A 28 -20.760 32.030 -2.977 1.00 73.20 C ATOM 500 CE LYS A 28 -20.176 31.217 -1.832 1.00 30.01 C ATOM 501 NZ LYS A 28 -21.042 31.261 -0.622 1.00 13.55 N ATOM 0 H LYS A 28 -19.869 34.166 -5.226 1.00 11.22 H new ATOM 0 HA LYS A 28 -22.464 33.150 -4.823 1.00 23.13 H new ATOM 0 HB2 LYS A 28 -21.144 35.438 -3.323 1.00 32.32 H new ATOM 0 HB3 LYS A 28 -22.341 34.313 -2.713 1.00 32.32 H new ATOM 0 HG2 LYS A 28 -19.465 33.673 -3.454 1.00 15.21 H new ATOM 0 HG3 LYS A 28 -20.140 33.740 -1.838 1.00 15.21 H new ATOM 0 HD2 LYS A 28 -21.846 31.940 -2.972 1.00 73.20 H new ATOM 0 HD3 LYS A 28 -20.411 31.625 -3.927 1.00 73.20 H new ATOM 0 HE2 LYS A 28 -20.048 30.182 -2.150 1.00 30.01 H new ATOM 0 HE3 LYS A 28 -19.186 31.599 -1.584 1.00 30.01 H new ATOM 0 HZ1 LYS A 28 -20.609 30.695 0.135 1.00 13.55 H new ATOM 0 HZ2 LYS A 28 -21.143 32.246 -0.303 1.00 13.55 H new ATOM 0 HZ3 LYS A 28 -21.979 30.873 -0.852 1.00 13.55 H new ATOM 515 N LYS A 29 -22.334 36.410 -5.408 1.00 2.44 N ATOM 516 CA LYS A 29 -23.119 37.546 -5.876 1.00 73.10 C ATOM 517 C LYS A 29 -23.617 37.313 -7.299 1.00 15.12 C ATOM 518 O LYS A 29 -24.789 37.538 -7.601 1.00 31.44 O ATOM 519 CB LYS A 29 -22.285 38.828 -5.820 1.00 23.51 C ATOM 520 CG LYS A 29 -23.093 40.065 -5.472 1.00 55.20 C ATOM 521 CD LYS A 29 -22.396 40.909 -4.418 1.00 34.43 C ATOM 522 CE LYS A 29 -22.971 42.316 -4.361 1.00 25.03 C ATOM 523 NZ LYS A 29 -22.487 43.064 -3.167 1.00 50.35 N ATOM 0 H LYS A 29 -21.368 36.635 -5.168 1.00 2.44 H new ATOM 0 HA LYS A 29 -23.983 37.653 -5.220 1.00 73.10 H new ATOM 0 HB2 LYS A 29 -21.492 38.703 -5.083 1.00 23.51 H new ATOM 0 HB3 LYS A 29 -21.802 38.980 -6.785 1.00 23.51 H new ATOM 0 HG2 LYS A 29 -23.252 40.662 -6.370 1.00 55.20 H new ATOM 0 HG3 LYS A 29 -24.077 39.768 -5.109 1.00 55.20 H new ATOM 0 HD2 LYS A 29 -22.499 40.433 -3.443 1.00 34.43 H new ATOM 0 HD3 LYS A 29 -21.329 40.959 -4.637 1.00 34.43 H new ATOM 0 HE2 LYS A 29 -22.696 42.858 -5.266 1.00 25.03 H new ATOM 0 HE3 LYS A 29 -24.060 42.263 -4.340 1.00 25.03 H new ATOM 0 HZ1 LYS A 29 -22.901 44.018 -3.164 1.00 50.35 H new ATOM 0 HZ2 LYS A 29 -22.772 42.560 -2.303 1.00 50.35 H new ATOM 0 HZ3 LYS A 29 -21.450 43.137 -3.200 1.00 50.35 H new ATOM 537 N ALA A 30 -22.720 36.860 -8.168 1.00 52.44 N ATOM 538 CA ALA A 30 -23.070 36.594 -9.558 1.00 71.21 C ATOM 539 C ALA A 30 -24.191 35.565 -9.654 1.00 72.42 C ATOM 540 O ALA A 30 -25.237 35.824 -10.251 1.00 10.42 O ATOM 541 CB ALA A 30 -21.847 36.118 -10.328 1.00 51.54 C ATOM 0 H ALA A 30 -21.746 36.669 -7.934 1.00 52.44 H new ATOM 0 HA ALA A 30 -23.426 37.524 -10.002 1.00 71.21 H new ATOM 0 HB1 ALA A 30 -22.123 35.923 -11.364 1.00 51.54 H new ATOM 0 HB2 ALA A 30 -21.075 36.887 -10.296 1.00 51.54 H new ATOM 0 HB3 ALA A 30 -21.466 35.202 -9.876 1.00 51.54 H new ATOM 547 N LEU A 31 -23.967 34.396 -9.064 1.00 62.44 N ATOM 548 CA LEU A 31 -24.958 33.326 -9.084 1.00 75.11 C ATOM 549 C LEU A 31 -26.301 33.818 -8.554 1.00 53.42 C ATOM 550 O LEU A 31 -27.306 33.801 -9.265 1.00 72.14 O ATOM 551 CB LEU A 31 -24.473 32.138 -8.251 1.00 11.40 C ATOM 552 CG LEU A 31 -25.402 30.925 -8.207 1.00 34.11 C ATOM 553 CD1 LEU A 31 -25.490 30.270 -9.577 1.00 31.35 C ATOM 554 CD2 LEU A 31 -24.924 29.924 -7.165 1.00 11.43 C ATOM 0 H LEU A 31 -23.107 34.165 -8.566 1.00 62.44 H new ATOM 0 HA LEU A 31 -25.090 33.007 -10.118 1.00 75.11 H new ATOM 0 HB2 LEU A 31 -23.507 31.817 -8.641 1.00 11.40 H new ATOM 0 HB3 LEU A 31 -24.306 32.480 -7.230 1.00 11.40 H new ATOM 0 HG LEU A 31 -26.398 31.265 -7.925 1.00 34.11 H new ATOM 0 HD11 LEU A 31 -26.156 29.408 -9.526 1.00 31.35 H new ATOM 0 HD12 LEU A 31 -25.880 30.988 -10.299 1.00 31.35 H new ATOM 0 HD13 LEU A 31 -24.498 29.944 -9.889 1.00 31.35 H new ATOM 0 HD21 LEU A 31 -25.597 29.067 -7.148 1.00 11.43 H new ATOM 0 HD22 LEU A 31 -23.918 29.590 -7.417 1.00 11.43 H new ATOM 0 HD23 LEU A 31 -24.914 30.397 -6.183 1.00 11.43 H new ATOM 566 N LYS A 32 -26.311 34.260 -7.301 1.00 31.31 N ATOM 567 CA LYS A 32 -27.529 34.761 -6.675 1.00 41.22 C ATOM 568 C LYS A 32 -28.193 35.820 -7.549 1.00 10.50 C ATOM 569 O LYS A 32 -29.397 35.767 -7.799 1.00 73.05 O ATOM 570 CB LYS A 32 -27.215 35.346 -5.296 1.00 62.23 C ATOM 571 CG LYS A 32 -27.427 34.364 -4.157 1.00 4.12 C ATOM 572 CD LYS A 32 -28.728 34.636 -3.421 1.00 73.35 C ATOM 573 CE LYS A 32 -28.933 33.661 -2.271 1.00 45.44 C ATOM 574 NZ LYS A 32 -29.250 34.365 -0.998 1.00 50.21 N ATOM 0 H LYS A 32 -25.488 34.281 -6.698 1.00 31.31 H new ATOM 0 HA LYS A 32 -28.219 33.925 -6.559 1.00 41.22 H new ATOM 0 HB2 LYS A 32 -26.180 35.687 -5.282 1.00 62.23 H new ATOM 0 HB3 LYS A 32 -27.842 36.222 -5.131 1.00 62.23 H new ATOM 0 HG2 LYS A 32 -27.436 33.347 -4.549 1.00 4.12 H new ATOM 0 HG3 LYS A 32 -26.592 34.429 -3.459 1.00 4.12 H new ATOM 0 HD2 LYS A 32 -28.724 35.656 -3.038 1.00 73.35 H new ATOM 0 HD3 LYS A 32 -29.564 34.560 -4.117 1.00 73.35 H new ATOM 0 HE2 LYS A 32 -29.742 32.974 -2.517 1.00 45.44 H new ATOM 0 HE3 LYS A 32 -28.033 33.060 -2.139 1.00 45.44 H new ATOM 0 HZ1 LYS A 32 -29.383 33.667 -0.239 1.00 50.21 H new ATOM 0 HZ2 LYS A 32 -28.467 35.002 -0.749 1.00 50.21 H new ATOM 0 HZ3 LYS A 32 -30.123 34.919 -1.115 1.00 50.21 H new ATOM 588 N PHE A 33 -27.400 36.782 -8.011 1.00 73.43 N ATOM 589 CA PHE A 33 -27.912 37.853 -8.858 1.00 2.22 C ATOM 590 C PHE A 33 -28.690 37.287 -10.042 1.00 20.42 C ATOM 591 O PHE A 33 -29.886 37.534 -10.188 1.00 52.11 O ATOM 592 CB PHE A 33 -26.761 38.728 -9.361 1.00 34.22 C ATOM 593 CG PHE A 33 -27.216 39.908 -10.172 1.00 25.43 C ATOM 594 CD1 PHE A 33 -28.240 40.724 -9.719 1.00 24.53 C ATOM 595 CD2 PHE A 33 -26.619 40.200 -11.387 1.00 44.44 C ATOM 596 CE1 PHE A 33 -28.660 41.810 -10.462 1.00 43.34 C ATOM 597 CE2 PHE A 33 -27.034 41.286 -12.135 1.00 72.11 C ATOM 598 CZ PHE A 33 -28.057 42.091 -11.673 1.00 3.13 C ATOM 0 H PHE A 33 -26.401 36.842 -7.813 1.00 73.43 H new ATOM 0 HA PHE A 33 -28.589 38.463 -8.260 1.00 2.22 H new ATOM 0 HB2 PHE A 33 -26.186 39.084 -8.507 1.00 34.22 H new ATOM 0 HB3 PHE A 33 -26.089 38.119 -9.966 1.00 34.22 H new ATOM 0 HD1 PHE A 33 -28.716 40.508 -8.774 1.00 24.53 H new ATOM 0 HD2 PHE A 33 -25.820 39.572 -11.754 1.00 44.44 H new ATOM 0 HE1 PHE A 33 -29.459 42.439 -10.097 1.00 43.34 H new ATOM 0 HE2 PHE A 33 -26.559 41.505 -13.080 1.00 72.11 H new ATOM 0 HZ PHE A 33 -28.385 42.938 -12.257 1.00 3.13 H new ATOM 608 N GLY A 34 -28.001 36.525 -10.886 1.00 25.44 N ATOM 609 CA GLY A 34 -28.642 35.935 -12.046 1.00 41.12 C ATOM 610 C GLY A 34 -29.863 35.115 -11.680 1.00 11.21 C ATOM 611 O GLY A 34 -30.903 35.211 -12.332 1.00 31.31 O ATOM 0 H GLY A 34 -27.010 36.306 -10.787 1.00 25.44 H new ATOM 0 HA2 GLY A 34 -28.933 36.726 -12.738 1.00 41.12 H new ATOM 0 HA3 GLY A 34 -27.926 35.301 -12.570 1.00 41.12 H new ATOM 615 N LYS A 35 -29.738 34.305 -10.634 1.00 41.12 N ATOM 616 CA LYS A 35 -30.839 33.464 -10.181 1.00 73.23 C ATOM 617 C LYS A 35 -32.106 34.289 -9.977 1.00 61.04 C ATOM 618 O LYS A 35 -33.152 33.988 -10.552 1.00 21.14 O ATOM 619 CB LYS A 35 -30.464 32.755 -8.878 1.00 13.12 C ATOM 620 CG LYS A 35 -31.130 31.401 -8.709 1.00 34.45 C ATOM 621 CD LYS A 35 -30.115 30.271 -8.748 1.00 60.02 C ATOM 622 CE LYS A 35 -30.653 29.014 -8.082 1.00 10.24 C ATOM 623 NZ LYS A 35 -31.125 28.016 -9.080 1.00 75.42 N ATOM 0 H LYS A 35 -28.884 34.213 -10.084 1.00 41.12 H new ATOM 0 HA LYS A 35 -31.033 32.717 -10.951 1.00 73.23 H new ATOM 0 HB2 LYS A 35 -29.382 32.625 -8.843 1.00 13.12 H new ATOM 0 HB3 LYS A 35 -30.736 33.392 -8.036 1.00 13.12 H new ATOM 0 HG2 LYS A 35 -31.668 31.375 -7.762 1.00 34.45 H new ATOM 0 HG3 LYS A 35 -31.867 31.256 -9.499 1.00 34.45 H new ATOM 0 HD2 LYS A 35 -29.853 30.052 -9.783 1.00 60.02 H new ATOM 0 HD3 LYS A 35 -29.199 30.586 -8.247 1.00 60.02 H new ATOM 0 HE2 LYS A 35 -29.873 28.569 -7.464 1.00 10.24 H new ATOM 0 HE3 LYS A 35 -31.475 29.279 -7.417 1.00 10.24 H new ATOM 0 HZ1 LYS A 35 -31.484 27.174 -8.586 1.00 75.42 H new ATOM 0 HZ2 LYS A 35 -31.886 28.432 -9.653 1.00 75.42 H new ATOM 0 HZ3 LYS A 35 -30.335 27.744 -9.699 1.00 75.42 H new ATOM 637 N GLN A 36 -32.003 35.330 -9.158 1.00 1.30 N ATOM 638 CA GLN A 36 -33.141 36.199 -8.880 1.00 61.41 C ATOM 639 C GLN A 36 -33.594 36.923 -10.143 1.00 75.44 C ATOM 640 O GLN A 36 -34.786 37.169 -10.337 1.00 2.24 O ATOM 641 CB GLN A 36 -32.780 37.216 -7.796 1.00 52.25 C ATOM 642 CG GLN A 36 -33.633 37.099 -6.544 1.00 13.13 C ATOM 643 CD GLN A 36 -35.020 37.684 -6.725 1.00 40.21 C ATOM 644 OE1 GLN A 36 -35.310 38.321 -7.738 1.00 42.41 O ATOM 645 NE2 GLN A 36 -35.886 37.470 -5.742 1.00 13.33 N ATOM 0 H GLN A 36 -31.144 35.593 -8.675 1.00 1.30 H new ATOM 0 HA GLN A 36 -33.963 35.577 -8.525 1.00 61.41 H new ATOM 0 HB2 GLN A 36 -31.732 37.089 -7.525 1.00 52.25 H new ATOM 0 HB3 GLN A 36 -32.884 38.222 -8.204 1.00 52.25 H new ATOM 0 HG2 GLN A 36 -33.720 36.049 -6.265 1.00 13.13 H new ATOM 0 HG3 GLN A 36 -33.133 37.608 -5.720 1.00 13.13 H new ATOM 0 HE21 GLN A 36 -35.603 36.936 -4.920 1.00 13.33 H new ATOM 0 HE22 GLN A 36 -36.835 37.839 -5.809 1.00 13.33 H new ATOM 654 N LEU A 37 -32.638 37.261 -11.001 1.00 10.22 N ATOM 655 CA LEU A 37 -32.939 37.958 -12.247 1.00 21.22 C ATOM 656 C LEU A 37 -33.853 37.118 -13.133 1.00 14.10 C ATOM 657 O LEU A 37 -34.899 37.586 -13.583 1.00 2.12 O ATOM 658 CB LEU A 37 -31.646 38.287 -12.995 1.00 71.12 C ATOM 659 CG LEU A 37 -31.415 39.763 -13.318 1.00 41.44 C ATOM 660 CD1 LEU A 37 -32.612 40.342 -14.057 1.00 63.11 C ATOM 661 CD2 LEU A 37 -31.139 40.551 -12.046 1.00 14.21 C ATOM 0 H LEU A 37 -31.648 37.064 -10.857 1.00 10.22 H new ATOM 0 HA LEU A 37 -33.455 38.886 -12.001 1.00 21.22 H new ATOM 0 HB2 LEU A 37 -30.805 37.930 -12.401 1.00 71.12 H new ATOM 0 HB3 LEU A 37 -31.637 37.726 -13.929 1.00 71.12 H new ATOM 0 HG LEU A 37 -30.542 39.840 -13.966 1.00 41.44 H new ATOM 0 HD11 LEU A 37 -32.429 41.394 -14.278 1.00 63.11 H new ATOM 0 HD12 LEU A 37 -32.764 39.796 -14.988 1.00 63.11 H new ATOM 0 HD13 LEU A 37 -33.502 40.252 -13.435 1.00 63.11 H new ATOM 0 HD21 LEU A 37 -30.977 41.600 -12.296 1.00 14.21 H new ATOM 0 HD22 LEU A 37 -31.992 40.466 -11.373 1.00 14.21 H new ATOM 0 HD23 LEU A 37 -30.250 40.153 -11.557 1.00 14.21 H new ATOM 673 N ALA A 38 -33.453 35.875 -13.378 1.00 22.11 N ATOM 674 CA ALA A 38 -34.238 34.968 -14.206 1.00 50.54 C ATOM 675 C ALA A 38 -35.524 34.554 -13.500 1.00 14.40 C ATOM 676 O ALA A 38 -36.548 34.315 -14.141 1.00 50.20 O ATOM 677 CB ALA A 38 -33.416 33.742 -14.572 1.00 21.51 C ATOM 0 H ALA A 38 -32.589 35.473 -13.015 1.00 22.11 H new ATOM 0 HA ALA A 38 -34.510 35.495 -15.120 1.00 50.54 H new ATOM 0 HB1 ALA A 38 -34.015 33.074 -15.190 1.00 21.51 H new ATOM 0 HB2 ALA A 38 -32.529 34.051 -15.125 1.00 21.51 H new ATOM 0 HB3 ALA A 38 -33.114 33.222 -13.663 1.00 21.51 H new ATOM 683 N LYS A 39 -35.466 34.471 -12.175 1.00 62.42 N ATOM 684 CA LYS A 39 -36.626 34.086 -11.380 1.00 61.23 C ATOM 685 C LYS A 39 -37.789 35.045 -11.615 1.00 62.44 C ATOM 686 O LYS A 39 -38.951 34.675 -11.457 1.00 55.13 O ATOM 687 CB LYS A 39 -36.265 34.060 -9.893 1.00 72.13 C ATOM 688 CG LYS A 39 -37.249 33.276 -9.042 1.00 54.32 C ATOM 689 CD LYS A 39 -36.653 31.962 -8.568 1.00 73.50 C ATOM 690 CE LYS A 39 -37.703 31.077 -7.913 1.00 55.33 C ATOM 691 NZ LYS A 39 -38.478 30.298 -8.919 1.00 3.21 N ATOM 0 H LYS A 39 -34.627 34.665 -11.629 1.00 62.42 H new ATOM 0 HA LYS A 39 -36.933 33.087 -11.691 1.00 61.23 H new ATOM 0 HB2 LYS A 39 -35.271 33.627 -9.776 1.00 72.13 H new ATOM 0 HB3 LYS A 39 -36.212 35.084 -9.523 1.00 72.13 H new ATOM 0 HG2 LYS A 39 -37.544 33.875 -8.180 1.00 54.32 H new ATOM 0 HG3 LYS A 39 -38.153 33.080 -9.618 1.00 54.32 H new ATOM 0 HD2 LYS A 39 -36.209 31.437 -9.414 1.00 73.50 H new ATOM 0 HD3 LYS A 39 -35.849 32.161 -7.859 1.00 73.50 H new ATOM 0 HE2 LYS A 39 -37.218 30.392 -7.218 1.00 55.33 H new ATOM 0 HE3 LYS A 39 -38.385 31.694 -7.328 1.00 55.33 H new ATOM 0 HZ1 LYS A 39 -39.183 29.708 -8.433 1.00 3.21 H new ATOM 0 HZ2 LYS A 39 -38.962 30.952 -9.567 1.00 3.21 H new ATOM 0 HZ3 LYS A 39 -37.831 29.690 -9.460 1.00 3.21 H new ATOM 705 N ASN A 40 -37.466 36.277 -11.995 1.00 74.21 N ATOM 706 CA ASN A 40 -38.485 37.288 -12.253 1.00 51.20 C ATOM 707 C ASN A 40 -39.145 37.062 -13.610 1.00 44.31 C ATOM 708 O ASN A 40 -40.322 37.372 -13.800 1.00 45.11 O ATOM 709 CB ASN A 40 -37.869 38.688 -12.199 1.00 60.45 C ATOM 710 CG ASN A 40 -38.322 39.473 -10.984 1.00 20.44 C ATOM 711 OD1 ASN A 40 -38.928 40.537 -11.109 1.00 32.25 O ATOM 712 ND2 ASN A 40 -38.029 38.949 -9.799 1.00 3.52 N ATOM 0 H ASN A 40 -36.508 36.599 -12.131 1.00 74.21 H new ATOM 0 HA ASN A 40 -39.249 37.204 -11.480 1.00 51.20 H new ATOM 0 HB2 ASN A 40 -36.782 38.604 -12.189 1.00 60.45 H new ATOM 0 HB3 ASN A 40 -38.138 39.235 -13.103 1.00 60.45 H new ATOM 0 HD21 ASN A 40 -38.308 39.432 -8.945 1.00 3.52 H new ATOM 0 HD22 ASN A 40 -37.525 38.064 -9.743 1.00 3.52 H new ATOM 719 N LEU A 41 -38.379 36.520 -14.551 1.00 10.23 N ATOM 720 CA LEU A 41 -38.888 36.252 -15.891 1.00 74.50 C ATOM 721 C LEU A 41 -39.114 34.757 -16.098 1.00 53.33 C ATOM 722 O LEU A 41 -40.222 34.325 -16.415 1.00 32.30 O ATOM 723 CB LEU A 41 -37.914 36.783 -16.944 1.00 74.42 C ATOM 724 CG LEU A 41 -38.286 36.508 -18.402 1.00 32.43 C ATOM 725 CD1 LEU A 41 -39.588 37.206 -18.761 1.00 53.13 C ATOM 726 CD2 LEU A 41 -37.166 36.952 -19.331 1.00 11.12 C ATOM 0 H LEU A 41 -37.403 36.258 -14.410 1.00 10.23 H new ATOM 0 HA LEU A 41 -39.844 36.764 -15.999 1.00 74.50 H new ATOM 0 HB2 LEU A 41 -37.819 37.861 -16.811 1.00 74.42 H new ATOM 0 HB3 LEU A 41 -36.932 36.350 -16.753 1.00 74.42 H new ATOM 0 HG LEU A 41 -38.428 35.434 -18.525 1.00 32.43 H new ATOM 0 HD11 LEU A 41 -39.837 36.999 -19.802 1.00 53.13 H new ATOM 0 HD12 LEU A 41 -40.387 36.839 -18.117 1.00 53.13 H new ATOM 0 HD13 LEU A 41 -39.475 38.281 -18.622 1.00 53.13 H new ATOM 0 HD21 LEU A 41 -37.448 36.749 -20.364 1.00 11.12 H new ATOM 0 HD22 LEU A 41 -36.992 38.021 -19.206 1.00 11.12 H new ATOM 0 HD23 LEU A 41 -36.255 36.405 -19.089 1.00 11.12 H new TER 738 LEU A 41