USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 386 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 ARG N :NH3+ -114:sc= 0.139 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 0:sc= -2.07 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 0:sc= 0 USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 9.044 -6.469 1.086 1.00 0.00 N ATOM 2 CA ARG A 1 8.002 -6.238 2.071 1.00 0.00 C ATOM 3 C ARG A 1 8.393 -5.086 2.997 1.00 0.00 C ATOM 4 O ARG A 1 9.516 -4.588 2.934 1.00 0.00 O ATOM 5 CB ARG A 1 7.748 -7.493 2.908 1.00 0.00 C ATOM 6 CG ARG A 1 6.727 -8.409 2.229 1.00 0.00 C ATOM 7 CD ARG A 1 5.370 -8.333 2.930 1.00 0.00 C ATOM 8 NE ARG A 1 4.891 -9.694 3.256 1.00 0.00 N ATOM 9 CZ ARG A 1 5.564 -10.567 4.035 1.00 0.00 C ATOM 10 NH1 ARG A 1 6.753 -10.227 4.576 1.00 0.00 N ATOM 11 NH2 ARG A 1 5.042 -11.759 4.260 1.00 0.00 N ATOM 0 H1 ARG A 1 8.682 -6.240 0.138 1.00 0.00 H new ATOM 0 H2 ARG A 1 9.863 -5.865 1.299 1.00 0.00 H new ATOM 0 H3 ARG A 1 9.334 -7.467 1.115 1.00 0.00 H new ATOM 0 HA ARG A 1 7.089 -5.982 1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 1 8.684 -8.032 3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 1 7.386 -7.208 3.896 1.00 0.00 H new ATOM 0 HG2 ARG A 1 6.616 -8.123 1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 1 7.090 -9.437 2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.455 -7.741 3.841 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.648 -7.829 2.288 1.00 0.00 H new ATOM 0 HE ARG A 1 3.996 -9.991 2.868 1.00 0.00 H new ATOM 0 HH11 ARG A 1 7.149 -9.304 4.397 1.00 0.00 H new ATOM 0 HH12 ARG A 1 7.255 -10.893 5.164 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.143 -12.008 3.847 1.00 0.00 H new ATOM 0 HH22 ARG A 1 5.538 -12.430 4.846 1.00 0.00 H new ATOM 24 N TRP A 2 7.444 -4.695 3.836 1.00 0.00 N ATOM 25 CA TRP A 2 7.676 -3.610 4.774 1.00 0.00 C ATOM 26 C TRP A 2 7.693 -4.201 6.186 1.00 0.00 C ATOM 27 O TRP A 2 6.740 -4.861 6.597 1.00 0.00 O ATOM 28 CB TRP A 2 6.633 -2.504 4.602 1.00 0.00 C ATOM 29 CG TRP A 2 6.143 -2.329 3.163 1.00 0.00 C ATOM 30 CD1 TRP A 2 4.880 -2.208 2.730 1.00 0.00 C ATOM 31 CD2 TRP A 2 6.963 -2.261 1.978 1.00 0.00 C ATOM 32 NE1 TRP A 2 4.827 -2.067 1.358 1.00 0.00 N ATOM 33 CE2 TRP A 2 6.134 -2.100 0.886 1.00 0.00 C ATOM 34 CE3 TRP A 2 8.360 -2.332 1.833 1.00 0.00 C ATOM 35 CZ2 TRP A 2 6.607 -1.997 -0.427 1.00 0.00 C ATOM 36 CZ3 TRP A 2 8.817 -2.228 0.513 1.00 0.00 C ATOM 37 CH2 TRP A 2 7.995 -2.066 -0.596 1.00 0.00 C ATOM 0 H TRP A 2 6.514 -5.110 3.885 1.00 0.00 H new ATOM 0 HA TRP A 2 8.638 -3.135 4.583 1.00 0.00 H new ATOM 0 HB2 TRP A 2 5.778 -2.722 5.242 1.00 0.00 H new ATOM 0 HB3 TRP A 2 7.058 -1.561 4.948 1.00 0.00 H new ATOM 0 HD1 TRP A 2 4.013 -2.219 3.374 1.00 0.00 H new ATOM 0 HE1 TRP A 2 3.984 -1.959 0.794 1.00 0.00 H new ATOM 0 HE3 TRP A 2 9.028 -2.457 2.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 5.937 -1.871 -1.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 9.883 -2.277 0.345 1.00 0.00 H new ATOM 0 HH2 TRP A 2 8.425 -1.994 -1.584 1.00 0.00 H new ATOM 48 N CYS A 3 8.786 -3.942 6.888 1.00 0.00 N ATOM 49 CA CYS A 3 8.939 -4.440 8.244 1.00 0.00 C ATOM 50 C CYS A 3 9.220 -3.250 9.164 1.00 0.00 C ATOM 51 O CYS A 3 9.484 -2.145 8.693 1.00 0.00 O ATOM 52 CB CYS A 3 10.035 -5.503 8.336 1.00 0.00 C ATOM 53 SG CYS A 3 9.461 -7.222 8.079 1.00 0.00 S ATOM 0 H CYS A 3 9.574 -3.394 6.543 1.00 0.00 H new ATOM 0 HA CYS A 3 8.019 -4.933 8.559 1.00 0.00 H new ATOM 0 HB2 CYS A 3 10.804 -5.277 7.597 1.00 0.00 H new ATOM 0 HB3 CYS A 3 10.506 -5.435 9.317 1.00 0.00 H new ATOM 58 N VAL A 4 9.153 -3.516 10.460 1.00 0.00 N ATOM 59 CA VAL A 4 9.397 -2.481 11.450 1.00 0.00 C ATOM 60 C VAL A 4 9.980 -3.117 12.714 1.00 0.00 C ATOM 61 O VAL A 4 9.325 -3.933 13.361 1.00 0.00 O ATOM 62 CB VAL A 4 8.111 -1.696 11.715 1.00 0.00 C ATOM 63 CG1 VAL A 4 7.348 -1.440 10.413 1.00 0.00 C ATOM 64 CG2 VAL A 4 7.228 -2.418 12.735 1.00 0.00 C ATOM 0 H VAL A 4 8.933 -4.434 10.848 1.00 0.00 H new ATOM 0 HA VAL A 4 10.129 -1.764 11.079 1.00 0.00 H new ATOM 0 HB VAL A 4 8.388 -0.730 12.137 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.438 -0.880 10.629 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.975 -0.865 9.731 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.088 -2.392 9.951 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.320 -1.839 12.905 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.963 -3.404 12.353 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.771 -2.526 13.674 1.00 0.00 H new ATOM 74 N TYR A 5 11.204 -2.720 13.028 1.00 0.00 N ATOM 75 CA TYR A 5 11.882 -3.241 14.203 1.00 0.00 C ATOM 76 C TYR A 5 12.057 -2.152 15.263 1.00 0.00 C ATOM 77 O TYR A 5 12.492 -1.044 14.953 1.00 0.00 O ATOM 78 CB TYR A 5 13.262 -3.698 13.725 1.00 0.00 C ATOM 79 CG TYR A 5 13.309 -5.156 13.263 1.00 0.00 C ATOM 80 CD1 TYR A 5 12.641 -6.128 13.979 1.00 0.00 C ATOM 81 CD2 TYR A 5 14.020 -5.498 12.131 1.00 0.00 C ATOM 82 CE1 TYR A 5 12.686 -7.501 13.544 1.00 0.00 C ATOM 83 CE2 TYR A 5 14.065 -6.870 11.696 1.00 0.00 C ATOM 84 CZ TYR A 5 13.396 -7.804 12.424 1.00 0.00 C ATOM 85 OH TYR A 5 13.438 -9.099 12.014 1.00 0.00 O ATOM 0 H TYR A 5 11.744 -2.043 12.489 1.00 0.00 H new ATOM 0 HA TYR A 5 11.306 -4.050 14.652 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.581 -3.057 12.903 1.00 0.00 H new ATOM 0 HB3 TYR A 5 13.979 -3.561 14.534 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.085 -5.860 14.865 1.00 0.00 H new ATOM 0 HD2 TYR A 5 14.543 -4.737 11.571 1.00 0.00 H new ATOM 0 HE1 TYR A 5 12.168 -8.272 14.095 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.618 -7.151 10.812 1.00 0.00 H new ATOM 0 HH TYR A 5 13.980 -9.167 11.201 1.00 0.00 H new ATOM 95 N ALA A 6 11.710 -2.506 16.492 1.00 0.00 N ATOM 96 CA ALA A 6 11.823 -1.572 17.599 1.00 0.00 C ATOM 97 C ALA A 6 12.628 -2.221 18.727 1.00 0.00 C ATOM 98 O ALA A 6 12.516 -3.423 18.962 1.00 0.00 O ATOM 99 CB ALA A 6 10.425 -1.145 18.052 1.00 0.00 C ATOM 0 H ALA A 6 11.351 -3.426 16.745 1.00 0.00 H new ATOM 0 HA ALA A 6 12.354 -0.672 17.289 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.510 -0.444 18.883 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.905 -0.664 17.223 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.863 -2.022 18.373 1.00 0.00 H new ATOM 105 N TYR A 7 13.423 -1.396 19.394 1.00 0.00 N ATOM 106 CA TYR A 7 14.246 -1.875 20.491 1.00 0.00 C ATOM 107 C TYR A 7 14.313 -0.841 21.617 1.00 0.00 C ATOM 108 O TYR A 7 14.875 0.239 21.441 1.00 0.00 O ATOM 109 CB TYR A 7 15.648 -2.072 19.911 1.00 0.00 C ATOM 110 CG TYR A 7 16.645 -2.694 20.891 1.00 0.00 C ATOM 111 CD1 TYR A 7 17.134 -1.949 21.944 1.00 0.00 C ATOM 112 CD2 TYR A 7 17.055 -4.001 20.721 1.00 0.00 C ATOM 113 CE1 TYR A 7 18.072 -2.535 22.866 1.00 0.00 C ATOM 114 CE2 TYR A 7 17.994 -4.587 21.643 1.00 0.00 C ATOM 115 CZ TYR A 7 18.456 -3.825 22.670 1.00 0.00 C ATOM 116 OH TYR A 7 19.342 -4.378 23.541 1.00 0.00 O ATOM 0 H TYR A 7 13.514 -0.400 19.195 1.00 0.00 H new ATOM 0 HA TYR A 7 13.834 -2.794 20.908 1.00 0.00 H new ATOM 0 HB2 TYR A 7 15.579 -2.707 19.027 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.032 -1.107 19.581 1.00 0.00 H new ATOM 0 HD1 TYR A 7 16.813 -0.926 22.077 1.00 0.00 H new ATOM 0 HD2 TYR A 7 16.672 -4.584 19.897 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.462 -1.963 23.695 1.00 0.00 H new ATOM 0 HE2 TYR A 7 18.324 -5.608 21.521 1.00 0.00 H new ATOM 0 HH TYR A 7 19.586 -3.718 24.223 1.00 0.00 H new ATOM 126 N VAL A 8 13.734 -1.209 22.750 1.00 0.00 N ATOM 127 CA VAL A 8 13.721 -0.328 23.905 1.00 0.00 C ATOM 128 C VAL A 8 14.574 -0.939 25.018 1.00 0.00 C ATOM 129 O VAL A 8 14.620 -2.159 25.170 1.00 0.00 O ATOM 130 CB VAL A 8 12.279 -0.054 24.339 1.00 0.00 C ATOM 131 CG1 VAL A 8 12.239 0.643 25.700 1.00 0.00 C ATOM 132 CG2 VAL A 8 11.534 0.763 23.281 1.00 0.00 C ATOM 0 H VAL A 8 13.270 -2.106 22.893 1.00 0.00 H new ATOM 0 HA VAL A 8 14.159 0.638 23.653 1.00 0.00 H new ATOM 0 HB VAL A 8 11.771 -1.013 24.440 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.203 0.826 25.985 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.714 0.008 26.448 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.771 1.592 25.639 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.512 0.944 23.614 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.042 1.716 23.133 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.517 0.212 22.341 1.00 0.00 H new ATOM 142 N ARG A 9 15.228 -0.064 25.768 1.00 0.00 N ATOM 143 CA ARG A 9 16.077 -0.503 26.862 1.00 0.00 C ATOM 144 C ARG A 9 16.343 0.655 27.825 1.00 0.00 C ATOM 145 O ARG A 9 17.072 1.589 27.493 1.00 0.00 O ATOM 146 CB ARG A 9 17.411 -1.042 26.342 1.00 0.00 C ATOM 147 CG ARG A 9 18.531 -0.805 27.358 1.00 0.00 C ATOM 148 CD ARG A 9 19.760 -1.654 27.027 1.00 0.00 C ATOM 149 NE ARG A 9 20.949 -0.787 26.876 1.00 0.00 N ATOM 150 CZ ARG A 9 22.218 -1.198 27.086 1.00 0.00 C ATOM 151 NH1 ARG A 9 22.473 -2.471 27.457 1.00 0.00 N ATOM 152 NH2 ARG A 9 23.205 -0.338 26.922 1.00 0.00 N ATOM 0 H ARG A 9 15.187 0.947 25.639 1.00 0.00 H new ATOM 0 HA ARG A 9 15.555 -1.303 27.386 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.321 -2.109 26.136 1.00 0.00 H new ATOM 0 HB3 ARG A 9 17.661 -0.556 25.399 1.00 0.00 H new ATOM 0 HG2 ARG A 9 18.804 0.250 27.364 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.176 -1.048 28.359 1.00 0.00 H new ATOM 0 HD2 ARG A 9 19.931 -2.385 27.817 1.00 0.00 H new ATOM 0 HD3 ARG A 9 19.589 -2.213 26.107 1.00 0.00 H new ATOM 0 HE ARG A 9 20.801 0.182 26.596 1.00 0.00 H new ATOM 0 HH11 ARG A 9 21.704 -3.130 27.581 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.434 -2.774 27.614 1.00 0.00 H new ATOM 0 HH21 ARG A 9 23.004 0.622 26.641 1.00 0.00 H new ATOM 0 HH22 ARG A 9 24.169 -0.633 27.077 1.00 0.00 H new ATOM 165 N ILE A 10 15.737 0.558 28.999 1.00 0.00 N ATOM 166 CA ILE A 10 15.899 1.586 30.013 1.00 0.00 C ATOM 167 C ILE A 10 16.023 0.926 31.388 1.00 0.00 C ATOM 168 O ILE A 10 15.453 -0.138 31.623 1.00 0.00 O ATOM 169 CB ILE A 10 14.765 2.610 29.923 1.00 0.00 C ATOM 170 CG1 ILE A 10 14.219 2.700 28.497 1.00 0.00 C ATOM 171 CG2 ILE A 10 15.215 3.974 30.452 1.00 0.00 C ATOM 172 CD1 ILE A 10 13.299 3.912 28.338 1.00 0.00 C ATOM 0 H ILE A 10 15.133 -0.217 29.271 1.00 0.00 H new ATOM 0 HA ILE A 10 16.819 2.146 29.844 1.00 0.00 H new ATOM 0 HB ILE A 10 13.948 2.271 30.559 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.046 2.772 27.791 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.671 1.789 28.255 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.391 4.683 30.377 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.517 3.878 31.495 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.058 4.333 29.862 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.924 3.953 27.315 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.460 3.825 29.028 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.856 4.823 28.557 1.00 0.00 H new ATOM 184 N ARG A 11 16.773 1.585 32.259 1.00 0.00 N ATOM 185 CA ARG A 11 16.980 1.075 33.604 1.00 0.00 C ATOM 186 C ARG A 11 17.682 -0.284 33.554 1.00 0.00 C ATOM 187 O ARG A 11 18.891 -0.370 33.765 1.00 0.00 O ATOM 188 CB ARG A 11 15.651 0.928 34.348 1.00 0.00 C ATOM 189 CG ARG A 11 14.960 2.283 34.508 1.00 0.00 C ATOM 190 CD ARG A 11 15.980 3.424 34.495 1.00 0.00 C ATOM 191 NE ARG A 11 15.308 4.707 34.798 1.00 0.00 N ATOM 192 CZ ARG A 11 15.845 5.920 34.548 1.00 0.00 C ATOM 193 NH1 ARG A 11 17.068 6.026 33.987 1.00 0.00 N ATOM 194 NH2 ARG A 11 15.156 7.002 34.860 1.00 0.00 N ATOM 0 H ARG A 11 17.245 2.467 32.060 1.00 0.00 H new ATOM 0 HA ARG A 11 17.605 1.791 34.138 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.999 0.245 33.803 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.826 0.487 35.329 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.240 2.425 33.702 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.400 2.302 35.443 1.00 0.00 H new ATOM 0 HD2 ARG A 11 16.763 3.232 35.229 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.464 3.479 33.520 1.00 0.00 H new ATOM 0 HE ARG A 11 14.381 4.673 35.222 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.594 5.185 33.748 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.466 6.947 33.802 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.232 6.914 35.283 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.547 7.926 34.678 1.00 0.00 H new ATOM 207 N GLY A 12 16.894 -1.311 33.275 1.00 0.00 N ATOM 208 CA GLY A 12 17.425 -2.662 33.195 1.00 0.00 C ATOM 209 C GLY A 12 16.408 -3.614 32.563 1.00 0.00 C ATOM 210 O GLY A 12 16.404 -4.808 32.858 1.00 0.00 O ATOM 0 H GLY A 12 15.892 -1.236 33.101 1.00 0.00 H new ATOM 0 HA2 GLY A 12 18.343 -2.662 32.607 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.686 -3.014 34.193 1.00 0.00 H new ATOM 214 N VAL A 13 15.570 -3.050 31.706 1.00 0.00 N ATOM 215 CA VAL A 13 14.551 -3.834 31.030 1.00 0.00 C ATOM 216 C VAL A 13 14.688 -3.646 29.517 1.00 0.00 C ATOM 217 O VAL A 13 14.651 -2.521 29.022 1.00 0.00 O ATOM 218 CB VAL A 13 13.165 -3.456 31.556 1.00 0.00 C ATOM 219 CG1 VAL A 13 12.085 -4.357 30.954 1.00 0.00 C ATOM 220 CG2 VAL A 13 13.127 -3.501 33.085 1.00 0.00 C ATOM 0 H VAL A 13 15.576 -2.059 31.464 1.00 0.00 H new ATOM 0 HA VAL A 13 14.685 -4.895 31.239 1.00 0.00 H new ATOM 0 HB VAL A 13 12.958 -2.432 31.246 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.110 -4.067 31.345 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.087 -4.252 29.869 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.288 -5.395 31.219 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.131 -3.228 33.432 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.367 -4.508 33.425 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.857 -2.799 33.488 1.00 0.00 H new ATOM 230 N LEU A 14 14.843 -4.766 28.826 1.00 0.00 N ATOM 231 CA LEU A 14 14.986 -4.738 27.380 1.00 0.00 C ATOM 232 C LEU A 14 13.652 -5.115 26.733 1.00 0.00 C ATOM 233 O LEU A 14 13.206 -6.257 26.841 1.00 0.00 O ATOM 234 CB LEU A 14 16.155 -5.623 26.940 1.00 0.00 C ATOM 235 CG LEU A 14 16.392 -5.720 25.432 1.00 0.00 C ATOM 236 CD1 LEU A 14 15.926 -4.448 24.721 1.00 0.00 C ATOM 237 CD2 LEU A 14 17.856 -6.044 25.127 1.00 0.00 C ATOM 0 H LEU A 14 14.873 -5.698 29.240 1.00 0.00 H new ATOM 0 HA LEU A 14 15.233 -3.732 27.041 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.065 -5.247 27.407 1.00 0.00 H new ATOM 0 HB3 LEU A 14 15.989 -6.628 27.327 1.00 0.00 H new ATOM 0 HG LEU A 14 15.793 -6.544 25.044 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.106 -4.543 23.650 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.861 -4.302 24.898 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.479 -3.592 25.107 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.997 -6.107 24.048 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.494 -5.258 25.531 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.121 -6.997 25.584 1.00 0.00 H new ATOM 249 N VAL A 15 13.052 -4.135 26.074 1.00 0.00 N ATOM 250 CA VAL A 15 11.778 -4.349 25.410 1.00 0.00 C ATOM 251 C VAL A 15 11.965 -4.203 23.898 1.00 0.00 C ATOM 252 O VAL A 15 11.869 -3.100 23.361 1.00 0.00 O ATOM 253 CB VAL A 15 10.725 -3.395 25.977 1.00 0.00 C ATOM 254 CG1 VAL A 15 9.312 -3.923 25.719 1.00 0.00 C ATOM 255 CG2 VAL A 15 10.955 -3.150 27.470 1.00 0.00 C ATOM 0 H VAL A 15 13.425 -3.190 25.986 1.00 0.00 H new ATOM 0 HA VAL A 15 11.415 -5.360 25.597 1.00 0.00 H new ATOM 0 HB VAL A 15 10.825 -2.440 25.461 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.582 -3.226 26.132 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.151 -4.023 24.646 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.195 -4.896 26.196 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.193 -2.469 27.849 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.895 -4.096 28.008 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.941 -2.710 27.619 1.00 0.00 H new ATOM 265 N ARG A 16 12.229 -5.330 23.255 1.00 0.00 N ATOM 266 CA ARG A 16 12.431 -5.342 21.816 1.00 0.00 C ATOM 267 C ARG A 16 11.125 -5.691 21.100 1.00 0.00 C ATOM 268 O ARG A 16 10.623 -6.807 21.226 1.00 0.00 O ATOM 269 CB ARG A 16 13.509 -6.352 21.418 1.00 0.00 C ATOM 270 CG ARG A 16 14.838 -6.034 22.105 1.00 0.00 C ATOM 271 CD ARG A 16 15.945 -6.971 21.617 1.00 0.00 C ATOM 272 NE ARG A 16 15.419 -8.347 21.480 1.00 0.00 N ATOM 273 CZ ARG A 16 15.929 -9.271 20.638 1.00 0.00 C ATOM 274 NH1 ARG A 16 16.984 -8.973 19.850 1.00 0.00 N ATOM 275 NH2 ARG A 16 15.380 -10.471 20.596 1.00 0.00 N ATOM 0 H ARG A 16 12.308 -6.242 23.704 1.00 0.00 H new ATOM 0 HA ARG A 16 12.757 -4.345 21.519 1.00 0.00 H new ATOM 0 HB2 ARG A 16 13.187 -7.358 21.688 1.00 0.00 H new ATOM 0 HB3 ARG A 16 13.643 -6.340 20.336 1.00 0.00 H new ATOM 0 HG2 ARG A 16 15.117 -5.000 21.904 1.00 0.00 H new ATOM 0 HG3 ARG A 16 14.725 -6.130 23.185 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.331 -6.623 20.659 1.00 0.00 H new ATOM 0 HD3 ARG A 16 16.778 -6.960 22.319 1.00 0.00 H new ATOM 0 HE ARG A 16 14.622 -8.614 22.057 1.00 0.00 H new ATOM 0 HH11 ARG A 16 17.402 -8.044 19.888 1.00 0.00 H new ATOM 0 HH12 ARG A 16 17.363 -9.677 19.217 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.583 -10.688 21.194 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.753 -11.181 19.965 1.00 0.00 H new ATOM 288 N TYR A 17 10.611 -4.717 20.363 1.00 0.00 N ATOM 289 CA TYR A 17 9.373 -4.908 19.627 1.00 0.00 C ATOM 290 C TYR A 17 9.651 -5.172 18.146 1.00 0.00 C ATOM 291 O TYR A 17 10.712 -4.814 17.637 1.00 0.00 O ATOM 292 CB TYR A 17 8.596 -3.597 19.762 1.00 0.00 C ATOM 293 CG TYR A 17 7.076 -3.770 19.741 1.00 0.00 C ATOM 294 CD1 TYR A 17 6.419 -4.241 20.860 1.00 0.00 C ATOM 295 CD2 TYR A 17 6.361 -3.455 18.603 1.00 0.00 C ATOM 296 CE1 TYR A 17 4.989 -4.404 20.840 1.00 0.00 C ATOM 297 CE2 TYR A 17 4.931 -3.617 18.583 1.00 0.00 C ATOM 298 CZ TYR A 17 4.315 -4.084 19.702 1.00 0.00 C ATOM 299 OH TYR A 17 2.964 -4.238 19.684 1.00 0.00 O ATOM 0 H TYR A 17 11.030 -3.793 20.260 1.00 0.00 H new ATOM 0 HA TYR A 17 8.822 -5.763 20.018 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.883 -3.111 20.694 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.887 -2.929 18.951 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.978 -4.487 21.751 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.875 -3.087 17.727 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.463 -4.772 21.708 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.360 -3.373 17.699 1.00 0.00 H new ATOM 0 HH TYR A 17 2.616 -3.970 18.808 1.00 0.00 H new ATOM 309 N ARG A 18 8.680 -5.796 17.496 1.00 0.00 N ATOM 310 CA ARG A 18 8.807 -6.112 16.084 1.00 0.00 C ATOM 311 C ARG A 18 7.428 -6.144 15.421 1.00 0.00 C ATOM 312 O ARG A 18 6.410 -6.259 16.102 1.00 0.00 O ATOM 313 CB ARG A 18 9.494 -7.463 15.881 1.00 0.00 C ATOM 314 CG ARG A 18 9.080 -8.457 16.969 1.00 0.00 C ATOM 315 CD ARG A 18 8.867 -9.854 16.382 1.00 0.00 C ATOM 316 NE ARG A 18 8.935 -10.870 17.457 1.00 0.00 N ATOM 317 CZ ARG A 18 8.467 -12.130 17.337 1.00 0.00 C ATOM 318 NH1 ARG A 18 7.892 -12.542 16.187 1.00 0.00 N ATOM 319 NH2 ARG A 18 8.580 -12.955 18.362 1.00 0.00 N ATOM 0 H ARG A 18 7.801 -6.091 17.922 1.00 0.00 H new ATOM 0 HA ARG A 18 9.417 -5.335 15.624 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.236 -7.863 14.900 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.576 -7.331 15.896 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.848 -8.496 17.742 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.162 -8.116 17.448 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.899 -9.904 15.883 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.626 -10.060 15.627 1.00 0.00 H new ATOM 0 HE ARG A 18 9.362 -10.601 18.343 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.808 -11.899 15.400 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.541 -13.496 16.106 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.016 -12.636 19.227 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.232 -13.911 18.288 1.00 0.00 H new ATOM 332 N ARG A 19 7.439 -6.039 14.100 1.00 0.00 N ATOM 333 CA ARG A 19 6.202 -6.054 13.338 1.00 0.00 C ATOM 334 C ARG A 19 6.498 -5.911 11.844 1.00 0.00 C ATOM 335 O ARG A 19 7.536 -5.375 11.461 1.00 0.00 O ATOM 336 CB ARG A 19 5.270 -4.923 13.777 1.00 0.00 C ATOM 337 CG ARG A 19 3.804 -5.317 13.590 1.00 0.00 C ATOM 338 CD ARG A 19 3.298 -4.907 12.206 1.00 0.00 C ATOM 339 NE ARG A 19 2.095 -4.056 12.338 1.00 0.00 N ATOM 340 CZ ARG A 19 0.867 -4.524 12.648 1.00 0.00 C ATOM 341 NH1 ARG A 19 0.670 -5.842 12.861 1.00 0.00 N ATOM 342 NH2 ARG A 19 -0.138 -3.672 12.740 1.00 0.00 N ATOM 0 H ARG A 19 8.285 -5.943 13.538 1.00 0.00 H new ATOM 0 HA ARG A 19 5.709 -7.008 13.525 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.454 -4.681 14.824 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.485 -4.024 13.199 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.694 -6.394 13.717 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.195 -4.842 14.359 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.078 -4.367 11.670 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.063 -5.794 11.618 1.00 0.00 H new ATOM 0 HE ARG A 19 2.200 -3.053 12.185 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.452 -6.493 12.788 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.261 -6.187 13.095 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.020 -2.677 12.578 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.072 -4.009 12.973 1.00 0.00 H new ATOM 355 N CYS A 20 5.565 -6.400 11.039 1.00 0.00 N ATOM 356 CA CYS A 20 5.713 -6.333 9.595 1.00 0.00 C ATOM 357 C CYS A 20 4.317 -6.255 8.973 1.00 0.00 C ATOM 358 O CYS A 20 3.364 -6.824 9.503 1.00 0.00 O ATOM 359 CB CYS A 20 6.514 -7.518 9.053 1.00 0.00 C ATOM 360 SG CYS A 20 8.247 -7.604 9.635 1.00 0.00 S ATOM 0 H CYS A 20 4.704 -6.844 11.360 1.00 0.00 H new ATOM 0 HA CYS A 20 6.280 -5.442 9.325 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.005 -8.441 9.333 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.513 -7.471 7.964 1.00 0.00 H new ATOM 365 N TRP A 21 4.241 -5.546 7.856 1.00 0.00 N ATOM 366 CA TRP A 21 2.978 -5.387 7.156 1.00 0.00 C ATOM 367 C TRP A 21 3.281 -5.224 5.665 1.00 0.00 C ATOM 368 O TRP A 21 3.068 -6.147 4.881 1.00 0.00 O ATOM 369 CB TRP A 21 2.175 -4.219 7.733 1.00 0.00 C ATOM 370 CG TRP A 21 3.036 -3.057 8.230 1.00 0.00 C ATOM 371 CD1 TRP A 21 3.345 -2.741 9.496 1.00 0.00 C ATOM 372 CD2 TRP A 21 3.691 -2.062 7.415 1.00 0.00 C ATOM 373 NE1 TRP A 21 4.147 -1.620 9.555 1.00 0.00 N ATOM 374 CE2 TRP A 21 4.365 -1.194 8.250 1.00 0.00 C ATOM 375 CE3 TRP A 21 3.714 -1.901 6.019 1.00 0.00 C ATOM 376 CZ2 TRP A 21 5.110 -0.105 7.783 1.00 0.00 C ATOM 377 CZ3 TRP A 21 4.463 -0.808 5.568 1.00 0.00 C ATOM 378 CH2 TRP A 21 5.147 0.075 6.395 1.00 0.00 C ATOM 0 H TRP A 21 5.033 -5.076 7.419 1.00 0.00 H new ATOM 0 HA TRP A 21 2.350 -6.267 7.290 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.491 -3.850 6.969 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.564 -4.584 8.559 1.00 0.00 H new ATOM 0 HD1 TRP A 21 3.009 -3.294 10.360 1.00 0.00 H new ATOM 0 HE1 TRP A 21 4.513 -1.184 10.401 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.195 -2.568 5.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 5.628 0.561 8.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.513 -0.639 4.502 1.00 0.00 H new ATOM 0 HH2 TRP A 21 5.704 0.896 5.969 1.00 0.00 H new TER 389 TRP A 21 ATOM 390 N ARG B 31 8.013 -0.199 3.364 1.00 0.00 N ATOM 391 CA ARG B 31 9.047 0.588 4.013 1.00 0.00 C ATOM 392 C ARG B 31 9.636 -0.182 5.197 1.00 0.00 C ATOM 393 O ARG B 31 9.165 -1.268 5.531 1.00 0.00 O ATOM 394 CB ARG B 31 8.492 1.925 4.509 1.00 0.00 C ATOM 395 CG ARG B 31 8.227 2.876 3.340 1.00 0.00 C ATOM 396 CD ARG B 31 8.919 4.223 3.560 1.00 0.00 C ATOM 397 NE ARG B 31 7.913 5.265 3.861 1.00 0.00 N ATOM 398 CZ ARG B 31 7.203 5.925 2.922 1.00 0.00 C ATOM 399 NH1 ARG B 31 7.383 5.655 1.612 1.00 0.00 N ATOM 400 NH2 ARG B 31 6.330 6.838 3.304 1.00 0.00 N ATOM 0 HA ARG B 31 9.827 0.782 3.277 1.00 0.00 H new ATOM 0 HB2 ARG B 31 7.568 1.757 5.062 1.00 0.00 H new ATOM 0 HB3 ARG B 31 9.199 2.382 5.201 1.00 0.00 H new ATOM 0 HG2 ARG B 31 8.584 2.427 2.413 1.00 0.00 H new ATOM 0 HG3 ARG B 31 7.154 3.029 3.227 1.00 0.00 H new ATOM 0 HD2 ARG B 31 9.631 4.145 4.381 1.00 0.00 H new ATOM 0 HD3 ARG B 31 9.486 4.499 2.671 1.00 0.00 H new ATOM 0 HE ARG B 31 7.745 5.499 4.839 1.00 0.00 H new ATOM 0 HH11 ARG B 31 8.060 4.948 1.325 1.00 0.00 H new ATOM 0 HH12 ARG B 31 6.842 6.158 0.909 1.00 0.00 H new ATOM 0 HH21 ARG B 31 6.200 7.036 4.296 1.00 0.00 H new ATOM 0 HH22 ARG B 31 5.785 7.346 2.607 1.00 0.00 H new ATOM 413 N TRP B 32 10.657 0.410 5.799 1.00 0.00 N ATOM 414 CA TRP B 32 11.315 -0.207 6.938 1.00 0.00 C ATOM 415 C TRP B 32 11.389 0.831 8.060 1.00 0.00 C ATOM 416 O TRP B 32 12.248 1.711 8.040 1.00 0.00 O ATOM 417 CB TRP B 32 12.685 -0.762 6.545 1.00 0.00 C ATOM 418 CG TRP B 32 12.656 -2.217 6.075 1.00 0.00 C ATOM 419 CD1 TRP B 32 12.485 -2.679 4.829 1.00 0.00 C ATOM 420 CD2 TRP B 32 12.810 -3.391 6.901 1.00 0.00 C ATOM 421 NE1 TRP B 32 12.517 -4.058 4.791 1.00 0.00 N ATOM 422 CE2 TRP B 32 12.721 -4.505 6.091 1.00 0.00 C ATOM 423 CE3 TRP B 32 13.018 -3.507 8.287 1.00 0.00 C ATOM 424 CZ2 TRP B 32 12.829 -5.814 6.574 1.00 0.00 C ATOM 425 CZ3 TRP B 32 13.122 -4.823 8.754 1.00 0.00 C ATOM 426 CH2 TRP B 32 13.035 -5.955 7.952 1.00 0.00 C ATOM 0 H TRP B 32 11.045 1.311 5.519 1.00 0.00 H new ATOM 0 HA TRP B 32 10.745 -1.065 7.295 1.00 0.00 H new ATOM 0 HB2 TRP B 32 13.102 -0.143 5.751 1.00 0.00 H new ATOM 0 HB3 TRP B 32 13.357 -0.680 7.399 1.00 0.00 H new ATOM 0 HD1 TRP B 32 12.340 -2.051 3.963 1.00 0.00 H new ATOM 0 HE1 TRP B 32 12.411 -4.642 3.961 1.00 0.00 H new ATOM 0 HE3 TRP B 32 13.092 -2.649 8.939 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 12.757 -6.670 5.919 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 13.281 -4.969 9.812 1.00 0.00 H new ATOM 0 HH2 TRP B 32 13.126 -6.938 8.389 1.00 0.00 H new ATOM 437 N CYS B 33 10.477 0.693 9.011 1.00 0.00 N ATOM 438 CA CYS B 33 10.429 1.607 10.139 1.00 0.00 C ATOM 439 C CYS B 33 11.341 1.062 11.239 1.00 0.00 C ATOM 440 O CYS B 33 11.592 -0.141 11.304 1.00 0.00 O ATOM 441 CB CYS B 33 8.997 1.816 10.637 1.00 0.00 C ATOM 442 SG CYS B 33 8.104 3.204 9.846 1.00 0.00 S ATOM 0 H CYS B 33 9.766 -0.038 9.023 1.00 0.00 H new ATOM 0 HA CYS B 33 10.784 2.590 9.829 1.00 0.00 H new ATOM 0 HB2 CYS B 33 8.432 0.898 10.472 1.00 0.00 H new ATOM 0 HB3 CYS B 33 9.023 1.985 11.713 1.00 0.00 H new ATOM 447 N VAL B 34 11.814 1.973 12.078 1.00 0.00 N ATOM 448 CA VAL B 34 12.694 1.598 13.172 1.00 0.00 C ATOM 449 C VAL B 34 12.497 2.572 14.335 1.00 0.00 C ATOM 450 O VAL B 34 12.663 3.780 14.173 1.00 0.00 O ATOM 451 CB VAL B 34 14.142 1.537 12.682 1.00 0.00 C ATOM 452 CG1 VAL B 34 14.322 0.430 11.641 1.00 0.00 C ATOM 453 CG2 VAL B 34 14.590 2.891 12.126 1.00 0.00 C ATOM 0 H VAL B 34 11.604 2.970 12.022 1.00 0.00 H new ATOM 0 HA VAL B 34 12.447 0.601 13.537 1.00 0.00 H new ATOM 0 HB VAL B 34 14.776 1.300 13.537 1.00 0.00 H new ATOM 0 HG11 VAL B 34 15.360 0.408 11.309 1.00 0.00 H new ATOM 0 HG12 VAL B 34 14.062 -0.532 12.084 1.00 0.00 H new ATOM 0 HG13 VAL B 34 13.672 0.624 10.788 1.00 0.00 H new ATOM 0 HG21 VAL B 34 15.623 2.820 11.785 1.00 0.00 H new ATOM 0 HG22 VAL B 34 13.950 3.171 11.290 1.00 0.00 H new ATOM 0 HG23 VAL B 34 14.517 3.647 12.908 1.00 0.00 H new ATOM 463 N TYR B 35 12.145 2.010 15.482 1.00 0.00 N ATOM 464 CA TYR B 35 11.923 2.814 16.672 1.00 0.00 C ATOM 465 C TYR B 35 12.503 2.129 17.912 1.00 0.00 C ATOM 466 O TYR B 35 11.981 1.112 18.364 1.00 0.00 O ATOM 467 CB TYR B 35 10.406 2.926 16.829 1.00 0.00 C ATOM 468 CG TYR B 35 9.946 4.203 17.536 1.00 0.00 C ATOM 469 CD1 TYR B 35 9.849 4.233 18.912 1.00 0.00 C ATOM 470 CD2 TYR B 35 9.628 5.324 16.797 1.00 0.00 C ATOM 471 CE1 TYR B 35 9.416 5.434 19.577 1.00 0.00 C ATOM 472 CE2 TYR B 35 9.195 6.526 17.462 1.00 0.00 C ATOM 473 CZ TYR B 35 9.110 6.522 18.820 1.00 0.00 C ATOM 474 OH TYR B 35 8.701 7.657 19.448 1.00 0.00 O ATOM 0 H TYR B 35 12.008 1.008 15.613 1.00 0.00 H new ATOM 0 HA TYR B 35 12.406 3.786 16.574 1.00 0.00 H new ATOM 0 HB2 TYR B 35 9.945 2.883 15.842 1.00 0.00 H new ATOM 0 HB3 TYR B 35 10.044 2.063 17.388 1.00 0.00 H new ATOM 0 HD1 TYR B 35 10.098 3.355 19.490 1.00 0.00 H new ATOM 0 HD2 TYR B 35 9.704 5.300 15.720 1.00 0.00 H new ATOM 0 HE1 TYR B 35 9.336 5.470 20.653 1.00 0.00 H new ATOM 0 HE2 TYR B 35 8.943 7.410 16.896 1.00 0.00 H new ATOM 0 HH TYR B 35 8.518 8.352 18.782 1.00 0.00 H new ATOM 484 N ALA B 36 13.574 2.716 18.426 1.00 0.00 N ATOM 485 CA ALA B 36 14.230 2.175 19.605 1.00 0.00 C ATOM 486 C ALA B 36 14.386 3.282 20.649 1.00 0.00 C ATOM 487 O ALA B 36 14.560 4.449 20.301 1.00 0.00 O ATOM 488 CB ALA B 36 15.571 1.558 19.204 1.00 0.00 C ATOM 0 H ALA B 36 14.004 3.560 18.048 1.00 0.00 H new ATOM 0 HA ALA B 36 13.628 1.384 20.051 1.00 0.00 H new ATOM 0 HB1 ALA B 36 16.064 1.152 20.088 1.00 0.00 H new ATOM 0 HB2 ALA B 36 15.402 0.758 18.483 1.00 0.00 H new ATOM 0 HB3 ALA B 36 16.204 2.323 18.755 1.00 0.00 H new ATOM 494 N TYR B 37 14.318 2.877 21.909 1.00 0.00 N ATOM 495 CA TYR B 37 14.449 3.820 23.006 1.00 0.00 C ATOM 496 C TYR B 37 15.388 3.278 24.086 1.00 0.00 C ATOM 497 O TYR B 37 14.936 2.823 25.136 1.00 0.00 O ATOM 498 CB TYR B 37 13.047 3.976 23.598 1.00 0.00 C ATOM 499 CG TYR B 37 12.854 5.258 24.411 1.00 0.00 C ATOM 500 CD1 TYR B 37 13.395 5.361 25.676 1.00 0.00 C ATOM 501 CD2 TYR B 37 12.140 6.312 23.878 1.00 0.00 C ATOM 502 CE1 TYR B 37 13.213 6.567 26.441 1.00 0.00 C ATOM 503 CE2 TYR B 37 11.958 7.518 24.643 1.00 0.00 C ATOM 504 CZ TYR B 37 12.504 7.587 25.887 1.00 0.00 C ATOM 505 OH TYR B 37 12.332 8.726 26.609 1.00 0.00 O ATOM 0 H TYR B 37 14.174 1.908 22.194 1.00 0.00 H new ATOM 0 HA TYR B 37 14.861 4.765 22.652 1.00 0.00 H new ATOM 0 HB2 TYR B 37 12.318 3.958 22.788 1.00 0.00 H new ATOM 0 HB3 TYR B 37 12.836 3.118 24.236 1.00 0.00 H new ATOM 0 HD1 TYR B 37 13.955 4.537 26.092 1.00 0.00 H new ATOM 0 HD2 TYR B 37 11.718 6.232 22.887 1.00 0.00 H new ATOM 0 HE1 TYR B 37 13.630 6.660 27.433 1.00 0.00 H new ATOM 0 HE2 TYR B 37 11.400 8.350 24.238 1.00 0.00 H new ATOM 0 HH TYR B 37 12.774 8.632 27.478 1.00 0.00 H new ATOM 515 N VAL B 38 16.678 3.343 23.790 1.00 0.00 N ATOM 516 CA VAL B 38 17.685 2.864 24.722 1.00 0.00 C ATOM 517 C VAL B 38 18.259 4.050 25.500 1.00 0.00 C ATOM 518 O VAL B 38 18.476 5.121 24.934 1.00 0.00 O ATOM 519 CB VAL B 38 18.754 2.065 23.974 1.00 0.00 C ATOM 520 CG1 VAL B 38 19.898 1.669 24.909 1.00 0.00 C ATOM 521 CG2 VAL B 38 18.146 0.834 23.299 1.00 0.00 C ATOM 0 H VAL B 38 17.049 3.720 22.918 1.00 0.00 H new ATOM 0 HA VAL B 38 17.240 2.184 25.448 1.00 0.00 H new ATOM 0 HB VAL B 38 19.166 2.705 23.194 1.00 0.00 H new ATOM 0 HG11 VAL B 38 20.644 1.102 24.352 1.00 0.00 H new ATOM 0 HG12 VAL B 38 20.358 2.567 25.321 1.00 0.00 H new ATOM 0 HG13 VAL B 38 19.508 1.055 25.721 1.00 0.00 H new ATOM 0 HG21 VAL B 38 18.927 0.284 22.774 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.694 0.191 24.054 1.00 0.00 H new ATOM 0 HG23 VAL B 38 17.383 1.149 22.587 1.00 0.00 H new ATOM 531 N ARG B 39 18.490 3.819 26.784 1.00 0.00 N ATOM 532 CA ARG B 39 19.035 4.855 27.644 1.00 0.00 C ATOM 533 C ARG B 39 19.993 4.245 28.669 1.00 0.00 C ATOM 534 O ARG B 39 19.688 3.219 29.275 1.00 0.00 O ATOM 535 CB ARG B 39 17.921 5.603 28.380 1.00 0.00 C ATOM 536 CG ARG B 39 18.436 6.923 28.958 1.00 0.00 C ATOM 537 CD ARG B 39 17.329 7.657 29.718 1.00 0.00 C ATOM 538 NE ARG B 39 17.716 7.827 31.136 1.00 0.00 N ATOM 539 CZ ARG B 39 18.419 8.879 31.608 1.00 0.00 C ATOM 540 NH1 ARG B 39 18.818 9.865 30.776 1.00 0.00 N ATOM 541 NH2 ARG B 39 18.710 8.929 32.894 1.00 0.00 N ATOM 0 H ARG B 39 18.310 2.929 27.249 1.00 0.00 H new ATOM 0 HA ARG B 39 19.575 5.560 27.012 1.00 0.00 H new ATOM 0 HB2 ARG B 39 17.096 5.799 27.695 1.00 0.00 H new ATOM 0 HB3 ARG B 39 17.528 4.979 29.183 1.00 0.00 H new ATOM 0 HG2 ARG B 39 19.274 6.729 29.627 1.00 0.00 H new ATOM 0 HG3 ARG B 39 18.810 7.555 28.153 1.00 0.00 H new ATOM 0 HD2 ARG B 39 17.148 8.631 29.263 1.00 0.00 H new ATOM 0 HD3 ARG B 39 16.397 7.096 29.652 1.00 0.00 H new ATOM 0 HE ARG B 39 17.434 7.104 31.798 1.00 0.00 H new ATOM 0 HH11 ARG B 39 18.589 9.819 29.783 1.00 0.00 H new ATOM 0 HH12 ARG B 39 19.349 10.656 31.140 1.00 0.00 H new ATOM 0 HH21 ARG B 39 18.405 8.180 33.515 1.00 0.00 H new ATOM 0 HH22 ARG B 39 19.240 9.717 33.267 1.00 0.00 H new ATOM 554 N ILE B 40 21.133 4.901 28.830 1.00 0.00 N ATOM 555 CA ILE B 40 22.138 4.435 29.771 1.00 0.00 C ATOM 556 C ILE B 40 22.918 5.635 30.312 1.00 0.00 C ATOM 557 O ILE B 40 22.929 6.701 29.698 1.00 0.00 O ATOM 558 CB ILE B 40 23.022 3.367 29.125 1.00 0.00 C ATOM 559 CG1 ILE B 40 22.329 2.003 29.132 1.00 0.00 C ATOM 560 CG2 ILE B 40 24.397 3.315 29.794 1.00 0.00 C ATOM 561 CD1 ILE B 40 23.282 0.907 29.613 1.00 0.00 C ATOM 0 H ILE B 40 21.383 5.751 28.325 1.00 0.00 H new ATOM 0 HA ILE B 40 21.665 3.950 30.625 1.00 0.00 H new ATOM 0 HB ILE B 40 23.182 3.641 28.082 1.00 0.00 H new ATOM 0 HG12 ILE B 40 21.454 2.039 29.780 1.00 0.00 H new ATOM 0 HG13 ILE B 40 21.973 1.766 28.129 1.00 0.00 H new ATOM 0 HG21 ILE B 40 25.006 2.547 29.316 1.00 0.00 H new ATOM 0 HG22 ILE B 40 24.888 4.283 29.692 1.00 0.00 H new ATOM 0 HG23 ILE B 40 24.279 3.078 30.851 1.00 0.00 H new ATOM 0 HD11 ILE B 40 22.765 -0.053 29.609 1.00 0.00 H new ATOM 0 HD12 ILE B 40 24.145 0.857 28.948 1.00 0.00 H new ATOM 0 HD13 ILE B 40 23.617 1.134 30.625 1.00 0.00 H new ATOM 573 N ARG B 41 23.552 5.421 31.456 1.00 0.00 N ATOM 574 CA ARG B 41 24.333 6.471 32.087 1.00 0.00 C ATOM 575 C ARG B 41 23.490 7.739 32.241 1.00 0.00 C ATOM 576 O ARG B 41 22.891 7.967 33.291 1.00 0.00 O ATOM 577 CB ARG B 41 25.584 6.795 31.268 1.00 0.00 C ATOM 578 CG ARG B 41 26.608 5.662 31.361 1.00 0.00 C ATOM 579 CD ARG B 41 27.426 5.766 32.650 1.00 0.00 C ATOM 580 NE ARG B 41 28.779 6.284 32.350 1.00 0.00 N ATOM 581 CZ ARG B 41 29.728 5.585 31.691 1.00 0.00 C ATOM 582 NH1 ARG B 41 29.478 4.332 31.257 1.00 0.00 N ATOM 583 NH2 ARG B 41 30.904 6.146 31.478 1.00 0.00 N ATOM 0 H ARG B 41 23.540 4.536 31.962 1.00 0.00 H new ATOM 0 HA ARG B 41 24.639 6.112 33.070 1.00 0.00 H new ATOM 0 HB2 ARG B 41 25.309 6.957 30.226 1.00 0.00 H new ATOM 0 HB3 ARG B 41 26.029 7.723 31.628 1.00 0.00 H new ATOM 0 HG2 ARG B 41 26.096 4.700 31.328 1.00 0.00 H new ATOM 0 HG3 ARG B 41 27.275 5.698 30.499 1.00 0.00 H new ATOM 0 HD2 ARG B 41 26.923 6.426 33.357 1.00 0.00 H new ATOM 0 HD3 ARG B 41 27.499 4.787 33.124 1.00 0.00 H new ATOM 0 HE ARG B 41 29.009 7.228 32.660 1.00 0.00 H new ATOM 0 HH11 ARG B 41 28.567 3.906 31.426 1.00 0.00 H new ATOM 0 HH12 ARG B 41 30.200 3.811 30.760 1.00 0.00 H new ATOM 0 HH21 ARG B 41 31.085 7.094 31.810 1.00 0.00 H new ATOM 0 HH22 ARG B 41 31.632 5.632 30.982 1.00 0.00 H new ATOM 596 N GLY B 42 23.471 8.531 31.179 1.00 0.00 N ATOM 597 CA GLY B 42 22.712 9.771 31.184 1.00 0.00 C ATOM 598 C GLY B 42 22.456 10.261 29.757 1.00 0.00 C ATOM 599 O GLY B 42 22.279 11.457 29.531 1.00 0.00 O ATOM 0 H GLY B 42 23.969 8.339 30.310 1.00 0.00 H new ATOM 0 HA2 GLY B 42 21.762 9.618 31.696 1.00 0.00 H new ATOM 0 HA3 GLY B 42 23.256 10.533 31.742 1.00 0.00 H new ATOM 603 N VAL B 43 22.443 9.312 28.832 1.00 0.00 N ATOM 604 CA VAL B 43 22.211 9.633 27.434 1.00 0.00 C ATOM 605 C VAL B 43 21.120 8.716 26.879 1.00 0.00 C ATOM 606 O VAL B 43 21.256 7.493 26.912 1.00 0.00 O ATOM 607 CB VAL B 43 23.523 9.543 26.652 1.00 0.00 C ATOM 608 CG1 VAL B 43 23.535 10.533 25.485 1.00 0.00 C ATOM 609 CG2 VAL B 43 24.726 9.765 27.571 1.00 0.00 C ATOM 0 H VAL B 43 22.589 8.321 29.024 1.00 0.00 H new ATOM 0 HA VAL B 43 21.857 10.659 27.331 1.00 0.00 H new ATOM 0 HB VAL B 43 23.598 8.537 26.239 1.00 0.00 H new ATOM 0 HG11 VAL B 43 24.479 10.448 24.946 1.00 0.00 H new ATOM 0 HG12 VAL B 43 22.710 10.309 24.809 1.00 0.00 H new ATOM 0 HG13 VAL B 43 23.425 11.548 25.868 1.00 0.00 H new ATOM 0 HG21 VAL B 43 25.646 9.696 26.990 1.00 0.00 H new ATOM 0 HG22 VAL B 43 24.658 10.753 28.027 1.00 0.00 H new ATOM 0 HG23 VAL B 43 24.732 9.005 28.352 1.00 0.00 H new ATOM 619 N LEU B 44 20.062 9.340 26.383 1.00 0.00 N ATOM 620 CA LEU B 44 18.949 8.595 25.822 1.00 0.00 C ATOM 621 C LEU B 44 19.055 8.599 24.295 1.00 0.00 C ATOM 622 O LEU B 44 18.969 9.653 23.667 1.00 0.00 O ATOM 623 CB LEU B 44 17.620 9.141 26.347 1.00 0.00 C ATOM 624 CG LEU B 44 16.422 9.014 25.403 1.00 0.00 C ATOM 625 CD1 LEU B 44 16.137 7.547 25.074 1.00 0.00 C ATOM 626 CD2 LEU B 44 15.193 9.721 25.978 1.00 0.00 C ATOM 0 H LEU B 44 19.952 10.354 26.358 1.00 0.00 H new ATOM 0 HA LEU B 44 18.988 7.554 26.142 1.00 0.00 H new ATOM 0 HB2 LEU B 44 17.380 8.626 27.277 1.00 0.00 H new ATOM 0 HB3 LEU B 44 17.754 10.195 26.592 1.00 0.00 H new ATOM 0 HG LEU B 44 16.671 9.512 24.466 1.00 0.00 H new ATOM 0 HD11 LEU B 44 15.281 7.484 24.402 1.00 0.00 H new ATOM 0 HD12 LEU B 44 17.010 7.106 24.592 1.00 0.00 H new ATOM 0 HD13 LEU B 44 15.917 7.004 25.993 1.00 0.00 H new ATOM 0 HD21 LEU B 44 14.356 9.615 25.287 1.00 0.00 H new ATOM 0 HD22 LEU B 44 14.931 9.273 26.937 1.00 0.00 H new ATOM 0 HD23 LEU B 44 15.415 10.779 26.120 1.00 0.00 H new ATOM 638 N VAL B 45 19.240 7.409 23.743 1.00 0.00 N ATOM 639 CA VAL B 45 19.360 7.263 22.303 1.00 0.00 C ATOM 640 C VAL B 45 18.036 6.746 21.736 1.00 0.00 C ATOM 641 O VAL B 45 17.685 5.583 21.931 1.00 0.00 O ATOM 642 CB VAL B 45 20.548 6.360 21.965 1.00 0.00 C ATOM 643 CG1 VAL B 45 21.026 6.597 20.531 1.00 0.00 C ATOM 644 CG2 VAL B 45 21.690 6.561 22.963 1.00 0.00 C ATOM 0 H VAL B 45 19.310 6.537 24.267 1.00 0.00 H new ATOM 0 HA VAL B 45 19.560 8.228 21.837 1.00 0.00 H new ATOM 0 HB VAL B 45 20.215 5.325 22.041 1.00 0.00 H new ATOM 0 HG11 VAL B 45 21.871 5.943 20.316 1.00 0.00 H new ATOM 0 HG12 VAL B 45 20.214 6.381 19.836 1.00 0.00 H new ATOM 0 HG13 VAL B 45 21.334 7.636 20.417 1.00 0.00 H new ATOM 0 HG21 VAL B 45 22.522 5.908 22.700 1.00 0.00 H new ATOM 0 HG22 VAL B 45 22.021 7.599 22.933 1.00 0.00 H new ATOM 0 HG23 VAL B 45 21.342 6.320 23.967 1.00 0.00 H new ATOM 654 N ARG B 46 17.337 7.634 21.045 1.00 0.00 N ATOM 655 CA ARG B 46 16.060 7.282 20.449 1.00 0.00 C ATOM 656 C ARG B 46 16.126 7.427 18.927 1.00 0.00 C ATOM 657 O ARG B 46 16.260 8.536 18.411 1.00 0.00 O ATOM 658 CB ARG B 46 14.936 8.168 20.990 1.00 0.00 C ATOM 659 CG ARG B 46 14.963 8.215 22.519 1.00 0.00 C ATOM 660 CD ARG B 46 13.763 8.991 23.065 1.00 0.00 C ATOM 661 NE ARG B 46 13.829 10.402 22.623 1.00 0.00 N ATOM 662 CZ ARG B 46 13.188 11.419 23.238 1.00 0.00 C ATOM 663 NH1 ARG B 46 12.426 11.189 24.328 1.00 0.00 N ATOM 664 NH2 ARG B 46 13.318 12.641 22.758 1.00 0.00 N ATOM 0 H ARG B 46 17.631 8.597 20.885 1.00 0.00 H new ATOM 0 HA ARG B 46 15.848 6.245 20.710 1.00 0.00 H new ATOM 0 HB2 ARG B 46 15.038 9.177 20.590 1.00 0.00 H new ATOM 0 HB3 ARG B 46 13.973 7.787 20.651 1.00 0.00 H new ATOM 0 HG2 ARG B 46 14.957 7.201 22.918 1.00 0.00 H new ATOM 0 HG3 ARG B 46 15.888 8.684 22.856 1.00 0.00 H new ATOM 0 HD2 ARG B 46 12.836 8.535 22.717 1.00 0.00 H new ATOM 0 HD3 ARG B 46 13.753 8.942 24.154 1.00 0.00 H new ATOM 0 HE ARG B 46 14.394 10.620 21.802 1.00 0.00 H new ATOM 0 HH11 ARG B 46 12.331 10.241 24.693 1.00 0.00 H new ATOM 0 HH12 ARG B 46 11.945 11.963 24.787 1.00 0.00 H new ATOM 0 HH21 ARG B 46 13.896 12.806 21.934 1.00 0.00 H new ATOM 0 HH22 ARG B 46 12.840 13.420 23.211 1.00 0.00 H new ATOM 677 N TYR B 47 16.030 6.292 18.251 1.00 0.00 N ATOM 678 CA TYR B 47 16.078 6.279 16.799 1.00 0.00 C ATOM 679 C TYR B 47 14.673 6.165 16.205 1.00 0.00 C ATOM 680 O TYR B 47 13.845 5.403 16.702 1.00 0.00 O ATOM 681 CB TYR B 47 16.883 5.036 16.415 1.00 0.00 C ATOM 682 CG TYR B 47 17.285 4.986 14.939 1.00 0.00 C ATOM 683 CD1 TYR B 47 16.313 4.934 13.961 1.00 0.00 C ATOM 684 CD2 TYR B 47 18.619 4.993 14.587 1.00 0.00 C ATOM 685 CE1 TYR B 47 16.691 4.887 12.573 1.00 0.00 C ATOM 686 CE2 TYR B 47 18.997 4.946 13.198 1.00 0.00 C ATOM 687 CZ TYR B 47 18.014 4.895 12.260 1.00 0.00 C ATOM 688 OH TYR B 47 18.371 4.851 10.948 1.00 0.00 O ATOM 0 H TYR B 47 15.919 5.374 18.682 1.00 0.00 H new ATOM 0 HA TYR B 47 16.524 7.199 16.422 1.00 0.00 H new ATOM 0 HB2 TYR B 47 17.784 4.995 17.028 1.00 0.00 H new ATOM 0 HB3 TYR B 47 16.296 4.148 16.651 1.00 0.00 H new ATOM 0 HD1 TYR B 47 15.269 4.929 14.237 1.00 0.00 H new ATOM 0 HD2 TYR B 47 19.380 5.034 15.353 1.00 0.00 H new ATOM 0 HE1 TYR B 47 15.940 4.846 11.797 1.00 0.00 H new ATOM 0 HE2 TYR B 47 20.037 4.951 12.908 1.00 0.00 H new ATOM 0 HH TYR B 47 19.348 4.864 10.874 1.00 0.00 H new ATOM 698 N ARG B 48 14.446 6.934 15.151 1.00 0.00 N ATOM 699 CA ARG B 48 13.155 6.929 14.484 1.00 0.00 C ATOM 700 C ARG B 48 13.322 7.270 13.002 1.00 0.00 C ATOM 701 O ARG B 48 13.720 8.383 12.658 1.00 0.00 O ATOM 702 CB ARG B 48 12.199 7.936 15.127 1.00 0.00 C ATOM 703 CG ARG B 48 11.985 7.619 16.609 1.00 0.00 C ATOM 704 CD ARG B 48 13.097 8.226 17.466 1.00 0.00 C ATOM 705 NE ARG B 48 12.519 9.163 18.455 1.00 0.00 N ATOM 706 CZ ARG B 48 13.195 10.193 19.008 1.00 0.00 C ATOM 707 NH1 ARG B 48 14.482 10.426 18.672 1.00 0.00 N ATOM 708 NH2 ARG B 48 12.580 10.968 19.881 1.00 0.00 N ATOM 0 H ARG B 48 15.135 7.565 14.742 1.00 0.00 H new ATOM 0 HA ARG B 48 12.733 5.929 14.585 1.00 0.00 H new ATOM 0 HB2 ARG B 48 12.601 8.944 15.021 1.00 0.00 H new ATOM 0 HB3 ARG B 48 11.242 7.918 14.606 1.00 0.00 H new ATOM 0 HG2 ARG B 48 11.019 8.008 16.932 1.00 0.00 H new ATOM 0 HG3 ARG B 48 11.958 6.539 16.753 1.00 0.00 H new ATOM 0 HD2 ARG B 48 13.645 7.435 17.979 1.00 0.00 H new ATOM 0 HD3 ARG B 48 13.812 8.749 16.831 1.00 0.00 H new ATOM 0 HE ARG B 48 11.549 9.022 18.737 1.00 0.00 H new ATOM 0 HH11 ARG B 48 14.950 9.822 17.996 1.00 0.00 H new ATOM 0 HH12 ARG B 48 14.986 11.206 19.094 1.00 0.00 H new ATOM 0 HH21 ARG B 48 11.608 10.785 20.129 1.00 0.00 H new ATOM 0 HH22 ARG B 48 13.077 11.750 20.308 1.00 0.00 H new ATOM 721 N ARG B 49 13.010 6.293 12.164 1.00 0.00 N ATOM 722 CA ARG B 49 13.120 6.476 10.726 1.00 0.00 C ATOM 723 C ARG B 49 12.323 5.396 9.992 1.00 0.00 C ATOM 724 O ARG B 49 12.001 4.357 10.566 1.00 0.00 O ATOM 725 CB ARG B 49 14.581 6.418 10.274 1.00 0.00 C ATOM 726 CG ARG B 49 14.772 7.147 8.943 1.00 0.00 C ATOM 727 CD ARG B 49 13.995 8.465 8.924 1.00 0.00 C ATOM 728 NE ARG B 49 14.206 9.195 10.194 1.00 0.00 N ATOM 729 CZ ARG B 49 13.412 10.195 10.632 1.00 0.00 C ATOM 730 NH1 ARG B 49 12.346 10.593 9.905 1.00 0.00 N ATOM 731 NH2 ARG B 49 13.693 10.778 11.783 1.00 0.00 N ATOM 0 H ARG B 49 12.681 5.372 12.453 1.00 0.00 H new ATOM 0 HA ARG B 49 12.715 7.459 10.484 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.219 6.869 11.034 1.00 0.00 H new ATOM 0 HB3 ARG B 49 14.893 5.379 10.172 1.00 0.00 H new ATOM 0 HG2 ARG B 49 15.832 7.343 8.780 1.00 0.00 H new ATOM 0 HG3 ARG B 49 14.436 6.511 8.124 1.00 0.00 H new ATOM 0 HD2 ARG B 49 14.322 9.078 8.084 1.00 0.00 H new ATOM 0 HD3 ARG B 49 12.933 8.268 8.780 1.00 0.00 H new ATOM 0 HE ARG B 49 15.001 8.926 10.774 1.00 0.00 H new ATOM 0 HH11 ARG B 49 12.135 10.137 9.017 1.00 0.00 H new ATOM 0 HH12 ARG B 49 11.751 11.349 10.244 1.00 0.00 H new ATOM 0 HH21 ARG B 49 14.500 10.471 12.327 1.00 0.00 H new ATOM 0 HH22 ARG B 49 13.103 11.535 12.129 1.00 0.00 H new ATOM 744 N CYS B 50 12.027 5.679 8.731 1.00 0.00 N ATOM 745 CA CYS B 50 11.273 4.745 7.912 1.00 0.00 C ATOM 746 C CYS B 50 11.683 4.948 6.452 1.00 0.00 C ATOM 747 O CYS B 50 11.827 6.082 5.996 1.00 0.00 O ATOM 748 CB CYS B 50 9.765 4.909 8.109 1.00 0.00 C ATOM 749 SG CYS B 50 9.207 4.843 9.851 1.00 0.00 S ATOM 0 H CYS B 50 12.296 6.541 8.257 1.00 0.00 H new ATOM 0 HA CYS B 50 11.503 3.724 8.215 1.00 0.00 H new ATOM 0 HB2 CYS B 50 9.458 5.863 7.680 1.00 0.00 H new ATOM 0 HB3 CYS B 50 9.252 4.128 7.548 1.00 0.00 H new ATOM 754 N TRP B 51 11.860 3.833 5.760 1.00 0.00 N ATOM 755 CA TRP B 51 12.250 3.874 4.361 1.00 0.00 C ATOM 756 C TRP B 51 11.459 2.796 3.617 1.00 0.00 C ATOM 757 O TRP B 51 11.763 1.610 3.727 1.00 0.00 O ATOM 758 CB TRP B 51 13.765 3.715 4.209 1.00 0.00 C ATOM 759 CG TRP B 51 14.223 2.267 4.030 1.00 0.00 C ATOM 760 CD1 TRP B 51 14.167 1.514 2.922 1.00 0.00 C ATOM 761 CD2 TRP B 51 14.815 1.421 5.038 1.00 0.00 C ATOM 762 NE1 TRP B 51 14.677 0.251 3.142 1.00 0.00 N ATOM 763 CE2 TRP B 51 15.083 0.192 4.470 1.00 0.00 C ATOM 764 CE3 TRP B 51 15.114 1.685 6.387 1.00 0.00 C ATOM 765 CZ2 TRP B 51 15.663 -0.869 5.176 1.00 0.00 C ATOM 766 CZ3 TRP B 51 15.693 0.614 7.078 1.00 0.00 C ATOM 767 CH2 TRP B 51 15.969 -0.628 6.520 1.00 0.00 C ATOM 0 H TRP B 51 11.741 2.895 6.142 1.00 0.00 H new ATOM 0 HA TRP B 51 12.013 4.844 3.924 1.00 0.00 H new ATOM 0 HB2 TRP B 51 14.097 4.299 3.351 1.00 0.00 H new ATOM 0 HB3 TRP B 51 14.254 4.134 5.088 1.00 0.00 H new ATOM 0 HD1 TRP B 51 13.772 1.854 1.976 1.00 0.00 H new ATOM 0 HE1 TRP B 51 14.744 -0.501 2.456 1.00 0.00 H new ATOM 0 HE3 TRP B 51 14.913 2.638 6.853 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 15.863 -1.822 4.709 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 15.943 0.764 8.118 1.00 0.00 H new ATOM 0 HH2 TRP B 51 16.418 -1.405 7.121 1.00 0.00 H new TER 778 TRP B 51