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+ -108:sc= 0.132 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 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 180:sc= -2.54! USER MOD Single : B 47 TYR OH : rot -172:sc= -0.405 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 9.335 -6.102 1.504 1.00 0.00 N ATOM 2 CA ARG A 1 8.211 -5.986 2.418 1.00 0.00 C ATOM 3 C ARG A 1 8.413 -4.796 3.359 1.00 0.00 C ATOM 4 O ARG A 1 9.455 -4.144 3.326 1.00 0.00 O ATOM 5 CB ARG A 1 8.043 -7.260 3.248 1.00 0.00 C ATOM 6 CG ARG A 1 7.231 -8.309 2.483 1.00 0.00 C ATOM 7 CD ARG A 1 5.747 -8.223 2.844 1.00 0.00 C ATOM 8 NE ARG A 1 5.173 -9.583 2.950 1.00 0.00 N ATOM 9 CZ ARG A 1 4.707 -10.292 1.899 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.745 -9.774 0.653 1.00 0.00 N ATOM 11 NH2 ARG A 1 4.215 -11.498 2.109 1.00 0.00 N ATOM 0 H1 ARG A 1 9.037 -5.817 0.549 1.00 0.00 H new ATOM 0 H2 ARG A 1 10.108 -5.485 1.824 1.00 0.00 H new ATOM 0 H3 ARG A 1 9.665 -7.088 1.483 1.00 0.00 H new ATOM 0 HA ARG A 1 7.312 -5.833 1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.023 -7.666 3.500 1.00 0.00 H new ATOM 0 HB3 ARG A 1 7.544 -7.023 4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 1 7.357 -8.161 1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 1 7.608 -9.305 2.714 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.624 -7.693 3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.212 -7.652 2.085 1.00 0.00 H new ATOM 0 HE ARG A 1 5.126 -10.012 3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.128 -8.841 0.500 1.00 0.00 H new ATOM 0 HH12 ARG A 1 4.391 -10.316 -0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.191 -11.881 3.054 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.859 -12.047 1.326 1.00 0.00 H new ATOM 24 N TRP A 2 7.399 -4.550 4.176 1.00 0.00 N ATOM 25 CA TRP A 2 7.452 -3.450 5.124 1.00 0.00 C ATOM 26 C TRP A 2 7.402 -4.040 6.535 1.00 0.00 C ATOM 27 O TRP A 2 6.453 -4.739 6.886 1.00 0.00 O ATOM 28 CB TRP A 2 6.333 -2.442 4.858 1.00 0.00 C ATOM 29 CG TRP A 2 6.020 -2.237 3.374 1.00 0.00 C ATOM 30 CD1 TRP A 2 4.820 -2.234 2.777 1.00 0.00 C ATOM 31 CD2 TRP A 2 6.975 -2.004 2.318 1.00 0.00 C ATOM 32 NE1 TRP A 2 4.932 -2.017 1.418 1.00 0.00 N ATOM 33 CE2 TRP A 2 6.285 -1.873 1.131 1.00 0.00 C ATOM 34 CE3 TRP A 2 8.377 -1.907 2.365 1.00 0.00 C ATOM 35 CZ2 TRP A 2 6.911 -1.637 -0.099 1.00 0.00 C ATOM 36 CZ3 TRP A 2 8.989 -1.671 1.127 1.00 0.00 C ATOM 37 CH2 TRP A 2 8.307 -1.537 -0.077 1.00 0.00 C ATOM 0 H TRP A 2 6.536 -5.094 4.201 1.00 0.00 H new ATOM 0 HA TRP A 2 8.380 -2.890 5.013 1.00 0.00 H new ATOM 0 HB2 TRP A 2 5.429 -2.776 5.367 1.00 0.00 H new ATOM 0 HB3 TRP A 2 6.610 -1.483 5.296 1.00 0.00 H new ATOM 0 HD1 TRP A 2 3.883 -2.383 3.294 1.00 0.00 H new ATOM 0 HE1 TRP A 2 4.164 -1.971 0.748 1.00 0.00 H new ATOM 0 HE3 TRP A 2 8.938 -2.007 3.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 6.347 -1.538 -1.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 10.066 -1.587 1.107 1.00 0.00 H new ATOM 0 HH2 TRP A 2 8.852 -1.356 -0.992 1.00 0.00 H new ATOM 48 N CYS A 3 8.437 -3.737 7.305 1.00 0.00 N ATOM 49 CA CYS A 3 8.523 -4.228 8.670 1.00 0.00 C ATOM 50 C CYS A 3 8.955 -3.070 9.571 1.00 0.00 C ATOM 51 O CYS A 3 9.245 -1.977 9.087 1.00 0.00 O ATOM 52 CB CYS A 3 9.471 -5.424 8.782 1.00 0.00 C ATOM 53 SG CYS A 3 8.724 -7.039 8.354 1.00 0.00 S ATOM 0 H CYS A 3 9.223 -3.158 7.010 1.00 0.00 H new ATOM 0 HA CYS A 3 7.547 -4.591 8.991 1.00 0.00 H new ATOM 0 HB2 CYS A 3 10.328 -5.252 8.131 1.00 0.00 H new ATOM 0 HB3 CYS A 3 9.851 -5.474 9.802 1.00 0.00 H new ATOM 58 N VAL A 4 8.986 -3.349 10.866 1.00 0.00 N ATOM 59 CA VAL A 4 9.379 -2.344 11.839 1.00 0.00 C ATOM 60 C VAL A 4 10.053 -3.029 13.029 1.00 0.00 C ATOM 61 O VAL A 4 9.513 -3.981 13.591 1.00 0.00 O ATOM 62 CB VAL A 4 8.165 -1.504 12.243 1.00 0.00 C ATOM 63 CG1 VAL A 4 7.155 -1.414 11.097 1.00 0.00 C ATOM 64 CG2 VAL A 4 7.510 -2.059 13.509 1.00 0.00 C ATOM 0 H VAL A 4 8.745 -4.257 11.264 1.00 0.00 H new ATOM 0 HA VAL A 4 10.105 -1.656 11.405 1.00 0.00 H new ATOM 0 HB VAL A 4 8.514 -0.495 12.462 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.302 -0.812 11.410 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.628 -0.951 10.231 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.815 -2.415 10.832 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.650 -1.443 13.774 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.182 -3.083 13.330 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.231 -2.047 14.327 1.00 0.00 H new ATOM 74 N TYR A 5 11.225 -2.518 13.379 1.00 0.00 N ATOM 75 CA TYR A 5 11.979 -3.069 14.492 1.00 0.00 C ATOM 76 C TYR A 5 12.281 -1.992 15.536 1.00 0.00 C ATOM 77 O TYR A 5 12.761 -0.911 15.197 1.00 0.00 O ATOM 78 CB TYR A 5 13.297 -3.573 13.900 1.00 0.00 C ATOM 79 CG TYR A 5 13.254 -5.029 13.434 1.00 0.00 C ATOM 80 CD1 TYR A 5 12.612 -5.980 14.201 1.00 0.00 C ATOM 81 CD2 TYR A 5 13.856 -5.392 12.246 1.00 0.00 C ATOM 82 CE1 TYR A 5 12.571 -7.351 13.762 1.00 0.00 C ATOM 83 CE2 TYR A 5 13.815 -6.763 11.808 1.00 0.00 C ATOM 84 CZ TYR A 5 13.175 -7.675 12.587 1.00 0.00 C ATOM 85 OH TYR A 5 13.136 -8.969 12.173 1.00 0.00 O ATOM 0 H TYR A 5 11.670 -1.729 12.911 1.00 0.00 H new ATOM 0 HA TYR A 5 11.413 -3.859 14.985 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.569 -2.940 13.055 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.084 -3.464 14.647 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.140 -5.696 15.130 1.00 0.00 H new ATOM 0 HD2 TYR A 5 14.358 -4.648 11.645 1.00 0.00 H new ATOM 0 HE1 TYR A 5 12.072 -8.105 14.352 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.282 -7.060 10.881 1.00 0.00 H new ATOM 0 HH TYR A 5 13.607 -9.053 11.318 1.00 0.00 H new ATOM 95 N ALA A 6 11.988 -2.324 16.784 1.00 0.00 N ATOM 96 CA ALA A 6 12.222 -1.399 17.880 1.00 0.00 C ATOM 97 C ALA A 6 13.059 -2.092 18.957 1.00 0.00 C ATOM 98 O ALA A 6 12.910 -3.290 19.189 1.00 0.00 O ATOM 99 CB ALA A 6 10.881 -0.895 18.418 1.00 0.00 C ATOM 0 H ALA A 6 11.590 -3.221 17.061 1.00 0.00 H new ATOM 0 HA ALA A 6 12.783 -0.530 17.536 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.056 -0.201 19.240 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.338 -0.385 17.622 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.292 -1.740 18.775 1.00 0.00 H new ATOM 105 N TYR A 7 13.922 -1.307 19.586 1.00 0.00 N ATOM 106 CA TYR A 7 14.784 -1.830 20.632 1.00 0.00 C ATOM 107 C TYR A 7 14.856 -0.864 21.816 1.00 0.00 C ATOM 108 O TYR A 7 15.625 0.096 21.793 1.00 0.00 O ATOM 109 CB TYR A 7 16.175 -1.959 20.009 1.00 0.00 C ATOM 110 CG TYR A 7 17.296 -2.172 21.027 1.00 0.00 C ATOM 111 CD1 TYR A 7 17.308 -3.307 21.812 1.00 0.00 C ATOM 112 CD2 TYR A 7 18.295 -1.230 21.161 1.00 0.00 C ATOM 113 CE1 TYR A 7 18.364 -3.508 22.771 1.00 0.00 C ATOM 114 CE2 TYR A 7 19.351 -1.430 22.119 1.00 0.00 C ATOM 115 CZ TYR A 7 19.333 -2.559 22.877 1.00 0.00 C ATOM 116 OH TYR A 7 20.330 -2.749 23.783 1.00 0.00 O ATOM 0 H TYR A 7 14.042 -0.313 19.391 1.00 0.00 H new ATOM 0 HA TYR A 7 14.403 -2.782 21.003 1.00 0.00 H new ATOM 0 HB2 TYR A 7 16.172 -2.794 19.308 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.388 -1.059 19.432 1.00 0.00 H new ATOM 0 HD1 TYR A 7 16.526 -4.044 21.707 1.00 0.00 H new ATOM 0 HD2 TYR A 7 18.285 -0.342 20.547 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.386 -4.392 23.392 1.00 0.00 H new ATOM 0 HE2 TYR A 7 20.139 -0.700 22.233 1.00 0.00 H new ATOM 0 HH TYR A 7 20.952 -1.992 23.749 1.00 0.00 H new ATOM 126 N VAL A 8 14.045 -1.151 22.824 1.00 0.00 N ATOM 127 CA VAL A 8 14.008 -0.320 24.015 1.00 0.00 C ATOM 128 C VAL A 8 14.824 -0.988 25.124 1.00 0.00 C ATOM 129 O VAL A 8 14.783 -2.207 25.282 1.00 0.00 O ATOM 130 CB VAL A 8 12.557 -0.051 24.420 1.00 0.00 C ATOM 131 CG1 VAL A 8 12.491 0.747 25.724 1.00 0.00 C ATOM 132 CG2 VAL A 8 11.800 0.665 23.301 1.00 0.00 C ATOM 0 H VAL A 8 13.408 -1.948 22.840 1.00 0.00 H new ATOM 0 HA VAL A 8 14.462 0.651 23.817 1.00 0.00 H new ATOM 0 HB VAL A 8 12.073 -1.013 24.590 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.449 0.925 25.989 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.977 0.184 26.520 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.000 1.702 25.592 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.772 0.844 23.614 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.285 1.617 23.085 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.803 0.045 22.405 1.00 0.00 H new ATOM 142 N ARG A 9 15.547 -0.159 25.864 1.00 0.00 N ATOM 143 CA ARG A 9 16.371 -0.654 26.953 1.00 0.00 C ATOM 144 C ARG A 9 16.569 0.437 28.007 1.00 0.00 C ATOM 145 O ARG A 9 17.201 1.457 27.739 1.00 0.00 O ATOM 146 CB ARG A 9 17.739 -1.115 26.444 1.00 0.00 C ATOM 147 CG ARG A 9 18.778 -1.090 27.566 1.00 0.00 C ATOM 148 CD ARG A 9 20.088 -1.739 27.113 1.00 0.00 C ATOM 149 NE ARG A 9 20.768 -2.366 28.269 1.00 0.00 N ATOM 150 CZ ARG A 9 21.285 -1.677 29.309 1.00 0.00 C ATOM 151 NH1 ARG A 9 21.203 -0.330 29.346 1.00 0.00 N ATOM 152 NH2 ARG A 9 21.871 -2.340 30.288 1.00 0.00 N ATOM 0 H ARG A 9 15.579 0.852 25.730 1.00 0.00 H new ATOM 0 HA ARG A 9 15.856 -1.505 27.398 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.659 -2.124 26.040 1.00 0.00 H new ATOM 0 HB3 ARG A 9 18.064 -0.469 25.628 1.00 0.00 H new ATOM 0 HG2 ARG A 9 18.964 -0.060 27.871 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.390 -1.616 28.438 1.00 0.00 H new ATOM 0 HD2 ARG A 9 19.887 -2.489 26.348 1.00 0.00 H new ATOM 0 HD3 ARG A 9 20.738 -0.989 26.661 1.00 0.00 H new ATOM 0 HE ARG A 9 20.851 -3.383 28.281 1.00 0.00 H new ATOM 0 HH11 ARG A 9 20.748 0.174 28.585 1.00 0.00 H new ATOM 0 HH12 ARG A 9 21.596 0.183 30.135 1.00 0.00 H new ATOM 0 HH21 ARG A 9 21.928 -3.358 30.252 1.00 0.00 H new ATOM 0 HH22 ARG A 9 22.267 -1.835 31.081 1.00 0.00 H new ATOM 165 N ILE A 10 16.016 0.185 29.185 1.00 0.00 N ATOM 166 CA ILE A 10 16.123 1.133 30.280 1.00 0.00 C ATOM 167 C ILE A 10 16.255 0.368 31.599 1.00 0.00 C ATOM 168 O ILE A 10 15.779 -0.760 31.717 1.00 0.00 O ATOM 169 CB ILE A 10 14.952 2.117 30.254 1.00 0.00 C ATOM 170 CG1 ILE A 10 14.423 2.301 28.830 1.00 0.00 C ATOM 171 CG2 ILE A 10 15.341 3.449 30.898 1.00 0.00 C ATOM 172 CD1 ILE A 10 13.224 3.252 28.810 1.00 0.00 C ATOM 0 H ILE A 10 15.492 -0.662 29.404 1.00 0.00 H new ATOM 0 HA ILE A 10 17.021 1.741 30.172 1.00 0.00 H new ATOM 0 HB ILE A 10 14.140 1.698 30.848 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.214 2.694 28.192 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.132 1.335 28.418 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.491 4.130 30.866 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.633 3.280 31.935 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.177 3.887 30.352 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.867 3.366 27.786 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.425 2.844 29.430 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.524 4.225 29.200 1.00 0.00 H new ATOM 184 N ARG A 11 16.902 1.014 32.558 1.00 0.00 N ATOM 185 CA ARG A 11 17.102 0.409 33.864 1.00 0.00 C ATOM 186 C ARG A 11 17.859 -0.914 33.726 1.00 0.00 C ATOM 187 O ARG A 11 19.080 -0.952 33.869 1.00 0.00 O ATOM 188 CB ARG A 11 15.765 0.153 34.563 1.00 0.00 C ATOM 189 CG ARG A 11 15.287 1.402 35.306 1.00 0.00 C ATOM 190 CD ARG A 11 14.072 2.021 34.612 1.00 0.00 C ATOM 191 NE ARG A 11 13.237 2.739 35.601 1.00 0.00 N ATOM 192 CZ ARG A 11 11.995 3.203 35.346 1.00 0.00 C ATOM 193 NH1 ARG A 11 11.433 3.028 34.132 1.00 0.00 N ATOM 194 NH2 ARG A 11 11.338 3.831 36.304 1.00 0.00 N ATOM 0 H ARG A 11 17.294 1.950 32.457 1.00 0.00 H new ATOM 0 HA ARG A 11 17.686 1.105 34.466 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.018 -0.146 33.828 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.870 -0.674 35.265 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.031 1.143 36.333 1.00 0.00 H new ATOM 0 HG3 ARG A 11 16.095 2.133 35.354 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.399 2.709 33.832 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.485 1.242 34.125 1.00 0.00 H new ATOM 0 HE ARG A 11 13.624 2.893 36.532 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.947 2.542 33.397 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.494 3.382 33.949 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.770 3.959 37.219 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.399 4.188 36.129 1.00 0.00 H new ATOM 207 N GLY A 12 17.103 -1.966 33.451 1.00 0.00 N ATOM 208 CA GLY A 12 17.687 -3.287 33.292 1.00 0.00 C ATOM 209 C GLY A 12 16.712 -4.238 32.595 1.00 0.00 C ATOM 210 O GLY A 12 16.771 -5.450 32.795 1.00 0.00 O ATOM 0 H GLY A 12 16.090 -1.931 33.334 1.00 0.00 H new ATOM 0 HA2 GLY A 12 18.607 -3.214 32.712 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.957 -3.689 34.269 1.00 0.00 H new ATOM 214 N VAL A 13 15.837 -3.652 31.791 1.00 0.00 N ATOM 215 CA VAL A 13 14.851 -4.432 31.063 1.00 0.00 C ATOM 216 C VAL A 13 14.952 -4.109 29.571 1.00 0.00 C ATOM 217 O VAL A 13 14.930 -2.943 29.181 1.00 0.00 O ATOM 218 CB VAL A 13 13.455 -4.177 31.636 1.00 0.00 C ATOM 219 CG1 VAL A 13 12.413 -5.070 30.960 1.00 0.00 C ATOM 220 CG2 VAL A 13 13.442 -4.371 33.154 1.00 0.00 C ATOM 0 H VAL A 13 15.790 -2.646 31.628 1.00 0.00 H new ATOM 0 HA VAL A 13 15.046 -5.498 31.179 1.00 0.00 H new ATOM 0 HB VAL A 13 13.192 -3.140 31.428 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.430 -4.869 31.386 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.395 -4.862 29.890 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.671 -6.117 31.122 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.438 -4.184 33.536 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.736 -5.393 33.393 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.142 -3.675 33.616 1.00 0.00 H new ATOM 230 N LEU A 14 15.061 -5.164 28.776 1.00 0.00 N ATOM 231 CA LEU A 14 15.166 -5.007 27.335 1.00 0.00 C ATOM 232 C LEU A 14 13.803 -5.281 26.696 1.00 0.00 C ATOM 233 O LEU A 14 13.311 -6.408 26.732 1.00 0.00 O ATOM 234 CB LEU A 14 16.291 -5.883 26.782 1.00 0.00 C ATOM 235 CG LEU A 14 16.451 -5.888 25.260 1.00 0.00 C ATOM 236 CD1 LEU A 14 15.996 -4.558 24.657 1.00 0.00 C ATOM 237 CD2 LEU A 14 17.886 -6.238 24.860 1.00 0.00 C ATOM 0 H LEU A 14 15.079 -6.130 29.102 1.00 0.00 H new ATOM 0 HA LEU A 14 15.437 -3.982 27.082 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.231 -5.555 27.225 1.00 0.00 H new ATOM 0 HB3 LEU A 14 16.123 -6.908 27.113 1.00 0.00 H new ATOM 0 HG LEU A 14 15.805 -6.665 24.851 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.120 -4.588 23.574 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.946 -4.390 24.897 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.597 -3.747 25.069 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.972 -6.235 23.773 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.571 -5.502 25.281 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.139 -7.228 25.241 1.00 0.00 H new ATOM 249 N VAL A 15 13.230 -4.231 26.126 1.00 0.00 N ATOM 250 CA VAL A 15 11.934 -4.345 25.480 1.00 0.00 C ATOM 251 C VAL A 15 12.102 -4.158 23.971 1.00 0.00 C ATOM 252 O VAL A 15 12.077 -3.033 23.474 1.00 0.00 O ATOM 253 CB VAL A 15 10.952 -3.348 26.099 1.00 0.00 C ATOM 254 CG1 VAL A 15 9.510 -3.839 25.958 1.00 0.00 C ATOM 255 CG2 VAL A 15 11.297 -3.076 27.565 1.00 0.00 C ATOM 0 H VAL A 15 13.640 -3.297 26.098 1.00 0.00 H new ATOM 0 HA VAL A 15 11.514 -5.338 25.640 1.00 0.00 H new ATOM 0 HB VAL A 15 11.041 -2.408 25.554 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.833 -3.112 26.406 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.268 -3.958 24.902 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.401 -4.797 26.465 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.584 -2.364 27.981 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.250 -4.008 28.129 1.00 0.00 H new ATOM 0 HG23 VAL A 15 12.303 -2.662 27.631 1.00 0.00 H new ATOM 265 N ARG A 16 12.271 -5.279 23.284 1.00 0.00 N ATOM 266 CA ARG A 16 12.443 -5.253 21.842 1.00 0.00 C ATOM 267 C ARG A 16 11.106 -5.503 21.142 1.00 0.00 C ATOM 268 O ARG A 16 10.578 -6.613 21.183 1.00 0.00 O ATOM 269 CB ARG A 16 13.453 -6.310 21.389 1.00 0.00 C ATOM 270 CG ARG A 16 14.878 -5.754 21.417 1.00 0.00 C ATOM 271 CD ARG A 16 15.872 -6.764 20.840 1.00 0.00 C ATOM 272 NE ARG A 16 15.838 -6.719 19.361 1.00 0.00 N ATOM 273 CZ ARG A 16 16.586 -5.881 18.612 1.00 0.00 C ATOM 274 NH1 ARG A 16 17.435 -5.010 19.199 1.00 0.00 N ATOM 275 NH2 ARG A 16 16.476 -5.926 17.297 1.00 0.00 N ATOM 0 H ARG A 16 12.292 -6.210 23.700 1.00 0.00 H new ATOM 0 HA ARG A 16 12.819 -4.266 21.571 1.00 0.00 H new ATOM 0 HB2 ARG A 16 13.387 -7.183 22.038 1.00 0.00 H new ATOM 0 HB3 ARG A 16 13.209 -6.643 20.380 1.00 0.00 H new ATOM 0 HG2 ARG A 16 14.922 -4.827 20.845 1.00 0.00 H new ATOM 0 HG3 ARG A 16 15.157 -5.509 22.442 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.878 -6.541 21.196 1.00 0.00 H new ATOM 0 HD3 ARG A 16 15.626 -7.768 21.187 1.00 0.00 H new ATOM 0 HE ARG A 16 15.210 -7.361 18.877 1.00 0.00 H new ATOM 0 HH11 ARG A 16 17.515 -4.982 20.215 1.00 0.00 H new ATOM 0 HH12 ARG A 16 17.997 -4.380 18.626 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.833 -6.587 16.861 1.00 0.00 H new ATOM 0 HH22 ARG A 16 17.034 -5.300 16.717 1.00 0.00 H new ATOM 288 N TYR A 17 10.596 -4.452 20.516 1.00 0.00 N ATOM 289 CA TYR A 17 9.330 -4.544 19.809 1.00 0.00 C ATOM 290 C TYR A 17 9.554 -4.780 18.314 1.00 0.00 C ATOM 291 O TYR A 17 10.632 -4.499 17.791 1.00 0.00 O ATOM 292 CB TYR A 17 8.641 -3.192 20.002 1.00 0.00 C ATOM 293 CG TYR A 17 7.113 -3.270 20.018 1.00 0.00 C ATOM 294 CD1 TYR A 17 6.451 -3.619 21.178 1.00 0.00 C ATOM 295 CD2 TYR A 17 6.396 -2.990 18.872 1.00 0.00 C ATOM 296 CE1 TYR A 17 5.013 -3.693 21.193 1.00 0.00 C ATOM 297 CE2 TYR A 17 4.958 -3.063 18.887 1.00 0.00 C ATOM 298 CZ TYR A 17 4.337 -3.411 20.047 1.00 0.00 C ATOM 299 OH TYR A 17 2.979 -3.480 20.061 1.00 0.00 O ATOM 0 H TYR A 17 11.037 -3.533 20.484 1.00 0.00 H new ATOM 0 HA TYR A 17 8.736 -5.374 20.191 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.982 -2.752 20.939 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.952 -2.520 19.203 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.012 -3.837 22.075 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.913 -2.716 17.964 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.483 -3.966 22.094 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.385 -2.846 17.998 1.00 0.00 H new ATOM 0 HH TYR A 17 2.631 -3.252 19.174 1.00 0.00 H new ATOM 309 N ARG A 18 8.517 -5.293 17.667 1.00 0.00 N ATOM 310 CA ARG A 18 8.587 -5.570 16.242 1.00 0.00 C ATOM 311 C ARG A 18 7.194 -5.476 15.615 1.00 0.00 C ATOM 312 O ARG A 18 6.200 -5.322 16.322 1.00 0.00 O ATOM 313 CB ARG A 18 9.165 -6.961 15.979 1.00 0.00 C ATOM 314 CG ARG A 18 8.680 -7.964 17.028 1.00 0.00 C ATOM 315 CD ARG A 18 9.446 -9.284 16.920 1.00 0.00 C ATOM 316 NE ARG A 18 9.178 -10.123 18.110 1.00 0.00 N ATOM 317 CZ ARG A 18 9.346 -11.462 18.144 1.00 0.00 C ATOM 318 NH1 ARG A 18 9.783 -12.127 17.054 1.00 0.00 N ATOM 319 NH2 ARG A 18 9.076 -12.112 19.261 1.00 0.00 N ATOM 0 H ARG A 18 7.624 -5.524 18.103 1.00 0.00 H new ATOM 0 HA ARG A 18 9.244 -4.826 15.791 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.872 -7.299 14.985 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.254 -6.914 15.991 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.811 -7.544 18.025 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.614 -8.146 16.896 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.147 -9.815 16.016 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.515 -9.088 16.836 1.00 0.00 H new ATOM 0 HE ARG A 18 8.846 -9.661 18.956 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.989 -11.618 16.195 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.907 -13.139 17.090 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.746 -11.602 20.081 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.197 -13.124 19.304 1.00 0.00 H new ATOM 332 N ARG A 19 7.168 -5.574 14.294 1.00 0.00 N ATOM 333 CA ARG A 19 5.914 -5.503 13.564 1.00 0.00 C ATOM 334 C ARG A 19 6.167 -5.632 12.060 1.00 0.00 C ATOM 335 O ARG A 19 7.240 -5.279 11.575 1.00 0.00 O ATOM 336 CB ARG A 19 5.189 -4.184 13.840 1.00 0.00 C ATOM 337 CG ARG A 19 3.678 -4.341 13.665 1.00 0.00 C ATOM 338 CD ARG A 19 3.262 -4.069 12.217 1.00 0.00 C ATOM 339 NE ARG A 19 2.441 -2.839 12.149 1.00 0.00 N ATOM 340 CZ ARG A 19 1.784 -2.428 11.044 1.00 0.00 C ATOM 341 NH1 ARG A 19 1.847 -3.146 9.903 1.00 0.00 N ATOM 342 NH2 ARG A 19 1.080 -1.313 11.096 1.00 0.00 N ATOM 0 H ARG A 19 7.995 -5.702 13.711 1.00 0.00 H new ATOM 0 HA ARG A 19 5.287 -6.327 13.903 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.408 -3.850 14.854 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.559 -3.413 13.164 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.378 -5.349 13.950 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.158 -3.653 14.332 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.147 -3.961 11.590 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.697 -4.916 11.827 1.00 0.00 H new ATOM 0 HE ARG A 19 2.367 -2.266 12.990 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.394 -4.006 9.871 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.347 -2.828 9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.038 -0.776 11.962 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.577 -0.988 10.270 1.00 0.00 H new ATOM 355 N CYS A 20 5.160 -6.141 11.365 1.00 0.00 N ATOM 356 CA CYS A 20 5.260 -6.322 9.926 1.00 0.00 C ATOM 357 C CYS A 20 3.858 -6.199 9.328 1.00 0.00 C ATOM 358 O CYS A 20 2.862 -6.349 10.034 1.00 0.00 O ATOM 359 CB CYS A 20 5.919 -7.656 9.568 1.00 0.00 C ATOM 360 SG CYS A 20 7.714 -7.742 9.910 1.00 0.00 S ATOM 0 H CYS A 20 4.271 -6.434 11.771 1.00 0.00 H new ATOM 0 HA CYS A 20 5.903 -5.550 9.503 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.420 -8.452 10.121 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.756 -7.853 8.508 1.00 0.00 H new ATOM 365 N TRP A 21 3.824 -5.927 8.031 1.00 0.00 N ATOM 366 CA TRP A 21 2.560 -5.782 7.330 1.00 0.00 C ATOM 367 C TRP A 21 2.244 -7.113 6.644 1.00 0.00 C ATOM 368 O TRP A 21 1.332 -7.827 7.057 1.00 0.00 O ATOM 369 CB TRP A 21 2.605 -4.603 6.355 1.00 0.00 C ATOM 370 CG TRP A 21 1.586 -4.697 5.218 1.00 0.00 C ATOM 371 CD1 TRP A 21 0.448 -4.005 5.071 1.00 0.00 C ATOM 372 CD2 TRP A 21 1.660 -5.564 4.066 1.00 0.00 C ATOM 373 NE1 TRP A 21 -0.214 -4.361 3.914 1.00 0.00 N ATOM 374 CE2 TRP A 21 0.546 -5.339 3.284 1.00 0.00 C ATOM 375 CE3 TRP A 21 2.636 -6.506 3.698 1.00 0.00 C ATOM 376 CZ2 TRP A 21 0.302 -6.018 2.084 1.00 0.00 C ATOM 377 CZ3 TRP A 21 2.378 -7.177 2.497 1.00 0.00 C ATOM 378 CH2 TRP A 21 1.261 -6.962 1.698 1.00 0.00 C ATOM 0 H TRP A 21 4.652 -5.803 7.448 1.00 0.00 H new ATOM 0 HA TRP A 21 1.756 -5.551 8.029 1.00 0.00 H new ATOM 0 HB2 TRP A 21 2.432 -3.680 6.909 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.606 -4.536 5.928 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.094 -3.262 5.770 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.099 -3.977 3.582 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.516 -6.697 4.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.578 -5.824 1.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 3.097 -7.913 2.168 1.00 0.00 H new ATOM 0 HH2 TRP A 21 1.133 -7.521 0.783 1.00 0.00 H new TER 389 TRP A 21 ATOM 390 N ARG B 31 7.597 0.069 3.937 1.00 0.00 N ATOM 391 CA ARG B 31 8.685 0.834 4.523 1.00 0.00 C ATOM 392 C ARG B 31 9.325 0.053 5.672 1.00 0.00 C ATOM 393 O ARG B 31 8.886 -1.049 5.999 1.00 0.00 O ATOM 394 CB ARG B 31 8.189 2.183 5.048 1.00 0.00 C ATOM 395 CG ARG B 31 7.939 3.161 3.898 1.00 0.00 C ATOM 396 CD ARG B 31 6.488 3.085 3.419 1.00 0.00 C ATOM 397 NE ARG B 31 5.593 3.718 4.413 1.00 0.00 N ATOM 398 CZ ARG B 31 4.254 3.820 4.270 1.00 0.00 C ATOM 399 NH1 ARG B 31 3.644 3.330 3.170 1.00 0.00 N ATOM 400 NH2 ARG B 31 3.552 4.406 5.222 1.00 0.00 N ATOM 0 HA ARG B 31 9.425 1.010 3.742 1.00 0.00 H new ATOM 0 HB2 ARG B 31 7.269 2.040 5.615 1.00 0.00 H new ATOM 0 HB3 ARG B 31 8.925 2.603 5.734 1.00 0.00 H new ATOM 0 HG2 ARG B 31 8.165 4.176 4.224 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.611 2.934 3.070 1.00 0.00 H new ATOM 0 HD2 ARG B 31 6.388 3.586 2.456 1.00 0.00 H new ATOM 0 HD3 ARG B 31 6.200 2.045 3.269 1.00 0.00 H new ATOM 0 HE ARG B 31 6.014 4.101 5.259 1.00 0.00 H new ATOM 0 HH11 ARG B 31 4.195 2.879 2.440 1.00 0.00 H new ATOM 0 HH12 ARG B 31 2.632 3.411 3.069 1.00 0.00 H new ATOM 0 HH21 ARG B 31 4.022 4.773 6.049 1.00 0.00 H new ATOM 0 HH22 ARG B 31 2.540 4.492 5.130 1.00 0.00 H new ATOM 413 N TRP B 32 10.354 0.653 6.252 1.00 0.00 N ATOM 414 CA TRP B 32 11.060 0.026 7.357 1.00 0.00 C ATOM 415 C TRP B 32 11.194 1.059 8.478 1.00 0.00 C ATOM 416 O TRP B 32 12.006 1.978 8.386 1.00 0.00 O ATOM 417 CB TRP B 32 12.406 -0.537 6.899 1.00 0.00 C ATOM 418 CG TRP B 32 12.347 -1.996 6.442 1.00 0.00 C ATOM 419 CD1 TRP B 32 12.180 -2.465 5.197 1.00 0.00 C ATOM 420 CD2 TRP B 32 12.464 -3.165 7.280 1.00 0.00 C ATOM 421 NE1 TRP B 32 12.179 -3.844 5.172 1.00 0.00 N ATOM 422 CE2 TRP B 32 12.357 -4.284 6.479 1.00 0.00 C ATOM 423 CE3 TRP B 32 12.652 -3.274 8.669 1.00 0.00 C ATOM 424 CZ2 TRP B 32 12.428 -5.591 6.975 1.00 0.00 C ATOM 425 CZ3 TRP B 32 12.720 -4.587 9.149 1.00 0.00 C ATOM 426 CH2 TRP B 32 12.615 -5.724 8.356 1.00 0.00 C ATOM 0 H TRP B 32 10.716 1.566 5.978 1.00 0.00 H new ATOM 0 HA TRP B 32 10.501 -0.830 7.736 1.00 0.00 H new ATOM 0 HB2 TRP B 32 12.784 0.075 6.080 1.00 0.00 H new ATOM 0 HB3 TRP B 32 13.121 -0.452 7.717 1.00 0.00 H new ATOM 0 HD1 TRP B 32 12.061 -1.841 4.323 1.00 0.00 H new ATOM 0 HE1 TRP B 32 12.068 -4.433 4.347 1.00 0.00 H new ATOM 0 HE3 TRP B 32 12.737 -2.413 9.315 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 12.343 -6.451 6.327 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 12.864 -4.727 10.210 1.00 0.00 H new ATOM 0 HH2 TRP B 32 12.677 -6.705 8.803 1.00 0.00 H new ATOM 437 N CYS B 33 10.386 0.872 9.511 1.00 0.00 N ATOM 438 CA CYS B 33 10.404 1.776 10.649 1.00 0.00 C ATOM 439 C CYS B 33 11.421 1.249 11.664 1.00 0.00 C ATOM 440 O CYS B 33 11.697 0.052 11.708 1.00 0.00 O ATOM 441 CB CYS B 33 9.014 1.937 11.266 1.00 0.00 C ATOM 442 SG CYS B 33 8.023 3.313 10.576 1.00 0.00 S ATOM 0 H CYS B 33 9.714 0.108 9.584 1.00 0.00 H new ATOM 0 HA CYS B 33 10.701 2.772 10.321 1.00 0.00 H new ATOM 0 HB2 CYS B 33 8.462 1.007 11.131 1.00 0.00 H new ATOM 0 HB3 CYS B 33 9.124 2.090 12.340 1.00 0.00 H new ATOM 447 N VAL B 34 11.951 2.171 12.455 1.00 0.00 N ATOM 448 CA VAL B 34 12.931 1.815 13.467 1.00 0.00 C ATOM 449 C VAL B 34 12.828 2.794 14.638 1.00 0.00 C ATOM 450 O VAL B 34 12.961 4.003 14.455 1.00 0.00 O ATOM 451 CB VAL B 34 14.329 1.769 12.848 1.00 0.00 C ATOM 452 CG1 VAL B 34 14.349 0.878 11.604 1.00 0.00 C ATOM 453 CG2 VAL B 34 14.831 3.177 12.522 1.00 0.00 C ATOM 0 H VAL B 34 11.720 3.164 12.415 1.00 0.00 H new ATOM 0 HA VAL B 34 12.730 0.818 13.859 1.00 0.00 H new ATOM 0 HB VAL B 34 15.006 1.334 13.583 1.00 0.00 H new ATOM 0 HG11 VAL B 34 15.355 0.863 11.183 1.00 0.00 H new ATOM 0 HG12 VAL B 34 14.055 -0.135 11.877 1.00 0.00 H new ATOM 0 HG13 VAL B 34 13.652 1.271 10.864 1.00 0.00 H new ATOM 0 HG21 VAL B 34 15.827 3.116 12.083 1.00 0.00 H new ATOM 0 HG22 VAL B 34 14.151 3.651 11.814 1.00 0.00 H new ATOM 0 HG23 VAL B 34 14.873 3.769 13.436 1.00 0.00 H new ATOM 463 N TYR B 35 12.591 2.235 15.816 1.00 0.00 N ATOM 464 CA TYR B 35 12.468 3.044 17.017 1.00 0.00 C ATOM 465 C TYR B 35 13.060 2.320 18.228 1.00 0.00 C ATOM 466 O TYR B 35 12.565 1.268 18.629 1.00 0.00 O ATOM 467 CB TYR B 35 10.968 3.243 17.239 1.00 0.00 C ATOM 468 CG TYR B 35 10.611 4.562 17.928 1.00 0.00 C ATOM 469 CD1 TYR B 35 10.425 5.705 17.176 1.00 0.00 C ATOM 470 CD2 TYR B 35 10.474 4.610 19.300 1.00 0.00 C ATOM 471 CE1 TYR B 35 10.089 6.946 17.824 1.00 0.00 C ATOM 472 CE2 TYR B 35 10.138 5.851 19.948 1.00 0.00 C ATOM 473 CZ TYR B 35 9.962 6.958 19.178 1.00 0.00 C ATOM 474 OH TYR B 35 9.645 8.130 19.790 1.00 0.00 O ATOM 0 H TYR B 35 12.481 1.232 15.964 1.00 0.00 H new ATOM 0 HA TYR B 35 13.002 3.987 16.901 1.00 0.00 H new ATOM 0 HB2 TYR B 35 10.459 3.199 16.276 1.00 0.00 H new ATOM 0 HB3 TYR B 35 10.587 2.417 17.839 1.00 0.00 H new ATOM 0 HD1 TYR B 35 10.532 5.668 16.102 1.00 0.00 H new ATOM 0 HD2 TYR B 35 10.619 3.716 19.888 1.00 0.00 H new ATOM 0 HE1 TYR B 35 9.941 7.847 17.248 1.00 0.00 H new ATOM 0 HE2 TYR B 35 10.028 5.902 21.021 1.00 0.00 H new ATOM 0 HH TYR B 35 9.587 7.988 20.758 1.00 0.00 H new ATOM 484 N ALA B 36 14.110 2.914 18.777 1.00 0.00 N ATOM 485 CA ALA B 36 14.774 2.339 19.935 1.00 0.00 C ATOM 486 C ALA B 36 14.990 3.428 20.986 1.00 0.00 C ATOM 487 O ALA B 36 15.257 4.580 20.647 1.00 0.00 O ATOM 488 CB ALA B 36 16.084 1.681 19.497 1.00 0.00 C ATOM 0 H ALA B 36 14.517 3.787 18.442 1.00 0.00 H new ATOM 0 HA ALA B 36 14.156 1.564 20.387 1.00 0.00 H new ATOM 0 HB1 ALA B 36 16.582 1.250 20.365 1.00 0.00 H new ATOM 0 HB2 ALA B 36 15.872 0.895 18.772 1.00 0.00 H new ATOM 0 HB3 ALA B 36 16.732 2.429 19.041 1.00 0.00 H new ATOM 494 N TYR B 37 14.867 3.026 22.243 1.00 0.00 N ATOM 495 CA TYR B 37 15.046 3.954 23.347 1.00 0.00 C ATOM 496 C TYR B 37 15.941 3.350 24.431 1.00 0.00 C ATOM 497 O TYR B 37 15.446 2.826 25.428 1.00 0.00 O ATOM 498 CB TYR B 37 13.651 4.193 23.927 1.00 0.00 C ATOM 499 CG TYR B 37 13.563 5.404 24.858 1.00 0.00 C ATOM 500 CD1 TYR B 37 13.977 5.298 26.170 1.00 0.00 C ATOM 501 CD2 TYR B 37 13.070 6.603 24.385 1.00 0.00 C ATOM 502 CE1 TYR B 37 13.895 6.438 27.046 1.00 0.00 C ATOM 503 CE2 TYR B 37 12.987 7.743 25.260 1.00 0.00 C ATOM 504 CZ TYR B 37 13.404 7.605 26.548 1.00 0.00 C ATOM 505 OH TYR B 37 13.326 8.681 27.375 1.00 0.00 O ATOM 0 H TYR B 37 14.646 2.070 22.521 1.00 0.00 H new ATOM 0 HA TYR B 37 15.518 4.874 23.003 1.00 0.00 H new ATOM 0 HB2 TYR B 37 12.946 4.326 23.107 1.00 0.00 H new ATOM 0 HB3 TYR B 37 13.339 3.303 24.474 1.00 0.00 H new ATOM 0 HD1 TYR B 37 14.363 4.360 26.540 1.00 0.00 H new ATOM 0 HD2 TYR B 37 12.746 6.686 23.358 1.00 0.00 H new ATOM 0 HE1 TYR B 37 14.216 6.368 28.075 1.00 0.00 H new ATOM 0 HE2 TYR B 37 12.602 8.687 24.902 1.00 0.00 H new ATOM 0 HH TYR B 37 12.958 9.445 26.884 1.00 0.00 H new ATOM 515 N VAL B 38 17.242 3.444 24.200 1.00 0.00 N ATOM 516 CA VAL B 38 18.210 2.913 25.145 1.00 0.00 C ATOM 517 C VAL B 38 18.789 4.061 25.974 1.00 0.00 C ATOM 518 O VAL B 38 19.017 5.153 25.456 1.00 0.00 O ATOM 519 CB VAL B 38 19.281 2.112 24.403 1.00 0.00 C ATOM 520 CG1 VAL B 38 20.355 1.607 25.368 1.00 0.00 C ATOM 521 CG2 VAL B 38 18.657 0.954 23.621 1.00 0.00 C ATOM 0 H VAL B 38 17.649 3.880 23.372 1.00 0.00 H new ATOM 0 HA VAL B 38 17.729 2.222 25.837 1.00 0.00 H new ATOM 0 HB VAL B 38 19.761 2.779 23.687 1.00 0.00 H new ATOM 0 HG11 VAL B 38 21.104 1.041 24.815 1.00 0.00 H new ATOM 0 HG12 VAL B 38 20.831 2.456 25.859 1.00 0.00 H new ATOM 0 HG13 VAL B 38 19.896 0.964 26.119 1.00 0.00 H new ATOM 0 HG21 VAL B 38 19.440 0.401 23.103 1.00 0.00 H new ATOM 0 HG22 VAL B 38 18.138 0.288 24.310 1.00 0.00 H new ATOM 0 HG23 VAL B 38 17.948 1.347 22.893 1.00 0.00 H new ATOM 531 N ARG B 39 19.010 3.775 27.249 1.00 0.00 N ATOM 532 CA ARG B 39 19.558 4.770 28.155 1.00 0.00 C ATOM 533 C ARG B 39 20.621 4.139 29.057 1.00 0.00 C ATOM 534 O ARG B 39 20.438 3.029 29.554 1.00 0.00 O ATOM 535 CB ARG B 39 18.461 5.386 29.026 1.00 0.00 C ATOM 536 CG ARG B 39 18.862 6.782 29.507 1.00 0.00 C ATOM 537 CD ARG B 39 17.781 7.383 30.408 1.00 0.00 C ATOM 538 NE ARG B 39 18.342 7.669 31.748 1.00 0.00 N ATOM 539 CZ ARG B 39 17.756 8.478 32.656 1.00 0.00 C ATOM 540 NH1 ARG B 39 16.585 9.089 32.375 1.00 0.00 N ATOM 541 NH2 ARG B 39 18.345 8.663 33.822 1.00 0.00 N ATOM 0 H ARG B 39 18.819 2.868 27.676 1.00 0.00 H new ATOM 0 HA ARG B 39 20.010 5.556 27.550 1.00 0.00 H new ATOM 0 HB2 ARG B 39 17.532 5.446 28.459 1.00 0.00 H new ATOM 0 HB3 ARG B 39 18.269 4.743 29.885 1.00 0.00 H new ATOM 0 HG2 ARG B 39 19.805 6.726 30.052 1.00 0.00 H new ATOM 0 HG3 ARG B 39 19.028 7.433 28.648 1.00 0.00 H new ATOM 0 HD2 ARG B 39 17.393 8.300 29.963 1.00 0.00 H new ATOM 0 HD3 ARG B 39 16.943 6.692 30.495 1.00 0.00 H new ATOM 0 HE ARG B 39 19.226 7.227 32.001 1.00 0.00 H new ATOM 0 HH11 ARG B 39 16.136 8.941 31.471 1.00 0.00 H new ATOM 0 HH12 ARG B 39 16.149 9.699 33.067 1.00 0.00 H new ATOM 0 HH21 ARG B 39 19.230 8.198 34.026 1.00 0.00 H new ATOM 0 HH22 ARG B 39 17.916 9.271 34.519 1.00 0.00 H new ATOM 554 N ILE B 40 21.708 4.874 29.240 1.00 0.00 N ATOM 555 CA ILE B 40 22.800 4.400 30.073 1.00 0.00 C ATOM 556 C ILE B 40 23.511 5.598 30.705 1.00 0.00 C ATOM 557 O ILE B 40 23.466 6.704 30.170 1.00 0.00 O ATOM 558 CB ILE B 40 23.730 3.487 29.270 1.00 0.00 C ATOM 559 CG1 ILE B 40 23.114 2.099 29.089 1.00 0.00 C ATOM 560 CG2 ILE B 40 25.118 3.420 29.909 1.00 0.00 C ATOM 561 CD1 ILE B 40 24.169 1.004 29.263 1.00 0.00 C ATOM 0 H ILE B 40 21.856 5.794 28.826 1.00 0.00 H new ATOM 0 HA ILE B 40 22.417 3.788 30.890 1.00 0.00 H new ATOM 0 HB ILE B 40 23.854 3.915 28.275 1.00 0.00 H new ATOM 0 HG12 ILE B 40 22.313 1.955 29.814 1.00 0.00 H new ATOM 0 HG13 ILE B 40 22.665 2.023 28.099 1.00 0.00 H new ATOM 0 HG21 ILE B 40 25.759 2.765 29.319 1.00 0.00 H new ATOM 0 HG22 ILE B 40 25.552 4.419 29.942 1.00 0.00 H new ATOM 0 HG23 ILE B 40 25.033 3.028 30.923 1.00 0.00 H new ATOM 0 HD11 ILE B 40 23.705 0.027 29.129 1.00 0.00 H new ATOM 0 HD12 ILE B 40 24.956 1.136 28.521 1.00 0.00 H new ATOM 0 HD13 ILE B 40 24.598 1.068 30.263 1.00 0.00 H new ATOM 573 N ARG B 41 24.149 5.337 31.837 1.00 0.00 N ATOM 574 CA ARG B 41 24.868 6.380 32.548 1.00 0.00 C ATOM 575 C ARG B 41 23.951 7.578 32.803 1.00 0.00 C ATOM 576 O ARG B 41 23.366 7.698 33.878 1.00 0.00 O ATOM 577 CB ARG B 41 26.092 6.844 31.756 1.00 0.00 C ATOM 578 CG ARG B 41 27.184 5.772 31.756 1.00 0.00 C ATOM 579 CD ARG B 41 27.887 5.706 33.114 1.00 0.00 C ATOM 580 NE ARG B 41 29.331 5.986 32.950 1.00 0.00 N ATOM 581 CZ ARG B 41 30.224 5.971 33.962 1.00 0.00 C ATOM 582 NH1 ARG B 41 29.829 5.688 35.221 1.00 0.00 N ATOM 583 NH2 ARG B 41 31.491 6.236 33.701 1.00 0.00 N ATOM 0 H ARG B 41 24.183 4.418 32.279 1.00 0.00 H new ATOM 0 HA ARG B 41 25.201 5.963 33.499 1.00 0.00 H new ATOM 0 HB2 ARG B 41 25.801 7.072 30.731 1.00 0.00 H new ATOM 0 HB3 ARG B 41 26.482 7.765 32.189 1.00 0.00 H new ATOM 0 HG2 ARG B 41 26.746 4.802 31.521 1.00 0.00 H new ATOM 0 HG3 ARG B 41 27.913 5.990 30.975 1.00 0.00 H new ATOM 0 HD2 ARG B 41 27.443 6.429 33.798 1.00 0.00 H new ATOM 0 HD3 ARG B 41 27.747 4.720 33.558 1.00 0.00 H new ATOM 0 HE ARG B 41 29.673 6.204 32.014 1.00 0.00 H new ATOM 0 HH11 ARG B 41 28.849 5.483 35.414 1.00 0.00 H new ATOM 0 HH12 ARG B 41 30.511 5.679 35.980 1.00 0.00 H new ATOM 0 HH21 ARG B 41 31.782 6.448 32.746 1.00 0.00 H new ATOM 0 HH22 ARG B 41 32.179 6.229 34.454 1.00 0.00 H new ATOM 596 N GLY B 42 23.853 8.433 31.796 1.00 0.00 N ATOM 597 CA GLY B 42 23.017 9.617 31.897 1.00 0.00 C ATOM 598 C GLY B 42 22.716 10.196 30.514 1.00 0.00 C ATOM 599 O GLY B 42 22.485 11.397 30.376 1.00 0.00 O ATOM 0 H GLY B 42 24.339 8.329 30.905 1.00 0.00 H new ATOM 0 HA2 GLY B 42 22.084 9.365 32.401 1.00 0.00 H new ATOM 0 HA3 GLY B 42 23.517 10.368 32.509 1.00 0.00 H new ATOM 603 N VAL B 43 22.730 9.317 29.523 1.00 0.00 N ATOM 604 CA VAL B 43 22.462 9.726 28.155 1.00 0.00 C ATOM 605 C VAL B 43 21.435 8.776 27.535 1.00 0.00 C ATOM 606 O VAL B 43 21.601 7.558 27.586 1.00 0.00 O ATOM 607 CB VAL B 43 23.769 9.793 27.363 1.00 0.00 C ATOM 608 CG1 VAL B 43 23.692 10.856 26.266 1.00 0.00 C ATOM 609 CG2 VAL B 43 24.959 10.048 28.290 1.00 0.00 C ATOM 0 H VAL B 43 22.923 8.322 29.640 1.00 0.00 H new ATOM 0 HA VAL B 43 22.033 10.728 28.133 1.00 0.00 H new ATOM 0 HB VAL B 43 23.919 8.826 26.883 1.00 0.00 H new ATOM 0 HG11 VAL B 43 24.634 10.883 25.718 1.00 0.00 H new ATOM 0 HG12 VAL B 43 22.880 10.613 25.580 1.00 0.00 H new ATOM 0 HG13 VAL B 43 23.507 11.831 26.717 1.00 0.00 H new ATOM 0 HG21 VAL B 43 25.876 10.091 27.702 1.00 0.00 H new ATOM 0 HG22 VAL B 43 24.818 10.995 28.812 1.00 0.00 H new ATOM 0 HG23 VAL B 43 25.033 9.240 29.018 1.00 0.00 H new ATOM 619 N LEU B 44 20.397 9.368 26.963 1.00 0.00 N ATOM 620 CA LEU B 44 19.344 8.590 26.334 1.00 0.00 C ATOM 621 C LEU B 44 19.562 8.575 24.819 1.00 0.00 C ATOM 622 O LEU B 44 19.450 9.609 24.163 1.00 0.00 O ATOM 623 CB LEU B 44 17.969 9.113 26.752 1.00 0.00 C ATOM 624 CG LEU B 44 16.850 8.960 25.719 1.00 0.00 C ATOM 625 CD1 LEU B 44 16.600 7.485 25.397 1.00 0.00 C ATOM 626 CD2 LEU B 44 15.576 9.670 26.180 1.00 0.00 C ATOM 0 H LEU B 44 20.263 10.378 26.922 1.00 0.00 H new ATOM 0 HA LEU B 44 19.382 7.554 26.672 1.00 0.00 H new ATOM 0 HB2 LEU B 44 17.668 8.597 27.664 1.00 0.00 H new ATOM 0 HB3 LEU B 44 18.065 10.170 27.001 1.00 0.00 H new ATOM 0 HG LEU B 44 17.170 9.442 24.795 1.00 0.00 H new ATOM 0 HD11 LEU B 44 15.800 7.404 24.661 1.00 0.00 H new ATOM 0 HD12 LEU B 44 17.510 7.041 24.994 1.00 0.00 H new ATOM 0 HD13 LEU B 44 16.311 6.958 26.306 1.00 0.00 H new ATOM 0 HD21 LEU B 44 14.797 9.545 25.427 1.00 0.00 H new ATOM 0 HD22 LEU B 44 15.241 9.240 27.124 1.00 0.00 H new ATOM 0 HD23 LEU B 44 15.781 10.732 26.318 1.00 0.00 H new ATOM 638 N VAL B 45 19.870 7.392 24.309 1.00 0.00 N ATOM 639 CA VAL B 45 20.105 7.229 22.885 1.00 0.00 C ATOM 640 C VAL B 45 18.783 6.895 22.189 1.00 0.00 C ATOM 641 O VAL B 45 18.365 5.739 22.166 1.00 0.00 O ATOM 642 CB VAL B 45 21.187 6.173 22.650 1.00 0.00 C ATOM 643 CG1 VAL B 45 21.853 6.365 21.286 1.00 0.00 C ATOM 644 CG2 VAL B 45 22.224 6.192 23.775 1.00 0.00 C ATOM 0 H VAL B 45 19.962 6.537 24.857 1.00 0.00 H new ATOM 0 HA VAL B 45 20.476 8.157 22.451 1.00 0.00 H new ATOM 0 HB VAL B 45 20.707 5.194 22.653 1.00 0.00 H new ATOM 0 HG11 VAL B 45 22.618 5.602 21.144 1.00 0.00 H new ATOM 0 HG12 VAL B 45 21.103 6.278 20.500 1.00 0.00 H new ATOM 0 HG13 VAL B 45 22.313 7.352 21.241 1.00 0.00 H new ATOM 0 HG21 VAL B 45 22.982 5.432 23.584 1.00 0.00 H new ATOM 0 HG22 VAL B 45 22.697 7.173 23.818 1.00 0.00 H new ATOM 0 HG23 VAL B 45 21.733 5.984 24.726 1.00 0.00 H new ATOM 654 N ARG B 46 18.163 7.929 21.640 1.00 0.00 N ATOM 655 CA ARG B 46 16.897 7.760 20.946 1.00 0.00 C ATOM 656 C ARG B 46 17.128 7.669 19.436 1.00 0.00 C ATOM 657 O ARG B 46 17.982 8.367 18.892 1.00 0.00 O ATOM 658 CB ARG B 46 15.948 8.923 21.240 1.00 0.00 C ATOM 659 CG ARG B 46 15.221 8.714 22.571 1.00 0.00 C ATOM 660 CD ARG B 46 14.161 9.795 22.792 1.00 0.00 C ATOM 661 NE ARG B 46 14.693 11.116 22.389 1.00 0.00 N ATOM 662 CZ ARG B 46 13.924 12.154 21.996 1.00 0.00 C ATOM 663 NH1 ARG B 46 12.581 12.032 21.950 1.00 0.00 N ATOM 664 NH2 ARG B 46 14.506 13.289 21.658 1.00 0.00 N ATOM 0 H ARG B 46 18.513 8.887 21.661 1.00 0.00 H new ATOM 0 HA ARG B 46 16.443 6.836 21.305 1.00 0.00 H new ATOM 0 HB2 ARG B 46 16.510 9.857 21.271 1.00 0.00 H new ATOM 0 HB3 ARG B 46 15.220 9.016 20.434 1.00 0.00 H new ATOM 0 HG2 ARG B 46 14.751 7.731 22.582 1.00 0.00 H new ATOM 0 HG3 ARG B 46 15.941 8.732 23.389 1.00 0.00 H new ATOM 0 HD2 ARG B 46 13.267 9.562 22.214 1.00 0.00 H new ATOM 0 HD3 ARG B 46 13.866 9.817 23.841 1.00 0.00 H new ATOM 0 HE ARG B 46 15.704 11.251 22.409 1.00 0.00 H new ATOM 0 HH11 ARG B 46 12.140 11.151 22.213 1.00 0.00 H new ATOM 0 HH12 ARG B 46 12.007 12.821 21.652 1.00 0.00 H new ATOM 0 HH21 ARG B 46 15.522 13.372 21.696 1.00 0.00 H new ATOM 0 HH22 ARG B 46 13.940 14.083 21.359 1.00 0.00 H new ATOM 677 N TYR B 47 16.352 6.802 18.803 1.00 0.00 N ATOM 678 CA TYR B 47 16.461 6.610 17.366 1.00 0.00 C ATOM 679 C TYR B 47 15.080 6.453 16.728 1.00 0.00 C ATOM 680 O TYR B 47 14.228 5.736 17.250 1.00 0.00 O ATOM 681 CB TYR B 47 17.250 5.313 17.173 1.00 0.00 C ATOM 682 CG TYR B 47 17.441 4.915 15.708 1.00 0.00 C ATOM 683 CD1 TYR B 47 17.480 5.885 14.728 1.00 0.00 C ATOM 684 CD2 TYR B 47 17.575 3.584 15.367 1.00 0.00 C ATOM 685 CE1 TYR B 47 17.660 5.510 13.349 1.00 0.00 C ATOM 686 CE2 TYR B 47 17.755 3.208 13.989 1.00 0.00 C ATOM 687 CZ TYR B 47 17.789 4.190 13.048 1.00 0.00 C ATOM 688 OH TYR B 47 17.959 3.835 11.746 1.00 0.00 O ATOM 0 H TYR B 47 15.645 6.224 19.258 1.00 0.00 H new ATOM 0 HA TYR B 47 16.946 7.468 16.899 1.00 0.00 H new ATOM 0 HB2 TYR B 47 18.229 5.422 17.640 1.00 0.00 H new ATOM 0 HB3 TYR B 47 16.736 4.506 17.694 1.00 0.00 H new ATOM 0 HD1 TYR B 47 17.376 6.926 14.995 1.00 0.00 H new ATOM 0 HD2 TYR B 47 17.545 2.825 16.134 1.00 0.00 H new ATOM 0 HE1 TYR B 47 17.692 6.260 12.572 1.00 0.00 H new ATOM 0 HE2 TYR B 47 17.861 2.170 13.709 1.00 0.00 H new ATOM 0 HH TYR B 47 17.910 2.860 11.664 1.00 0.00 H new ATOM 698 N ARG B 48 14.901 7.136 15.606 1.00 0.00 N ATOM 699 CA ARG B 48 13.637 7.081 14.891 1.00 0.00 C ATOM 700 C ARG B 48 13.867 7.283 13.392 1.00 0.00 C ATOM 701 O ARG B 48 14.613 8.174 12.989 1.00 0.00 O ATOM 702 CB ARG B 48 12.669 8.151 15.400 1.00 0.00 C ATOM 703 CG ARG B 48 11.732 8.618 14.284 1.00 0.00 C ATOM 704 CD ARG B 48 12.285 9.864 13.590 1.00 0.00 C ATOM 705 NE ARG B 48 11.171 10.700 13.089 1.00 0.00 N ATOM 706 CZ ARG B 48 11.273 12.021 12.830 1.00 0.00 C ATOM 707 NH1 ARG B 48 12.441 12.669 13.024 1.00 0.00 N ATOM 708 NH2 ARG B 48 10.213 12.670 12.385 1.00 0.00 N ATOM 0 H ARG B 48 15.610 7.730 15.175 1.00 0.00 H new ATOM 0 HA ARG B 48 13.199 6.098 15.066 1.00 0.00 H new ATOM 0 HB2 ARG B 48 12.083 7.752 16.228 1.00 0.00 H new ATOM 0 HB3 ARG B 48 13.231 9.001 15.787 1.00 0.00 H new ATOM 0 HG2 ARG B 48 11.602 7.818 13.555 1.00 0.00 H new ATOM 0 HG3 ARG B 48 10.747 8.835 14.698 1.00 0.00 H new ATOM 0 HD2 ARG B 48 12.896 10.438 14.287 1.00 0.00 H new ATOM 0 HD3 ARG B 48 12.933 9.573 12.763 1.00 0.00 H new ATOM 0 HE ARG B 48 10.270 10.250 12.929 1.00 0.00 H new ATOM 0 HH11 ARG B 48 13.255 12.160 13.369 1.00 0.00 H new ATOM 0 HH12 ARG B 48 12.509 13.667 12.826 1.00 0.00 H new ATOM 0 HH21 ARG B 48 9.334 12.173 12.242 1.00 0.00 H new ATOM 0 HH22 ARG B 48 10.273 13.668 12.184 1.00 0.00 H new ATOM 721 N ARG B 49 13.212 6.440 12.606 1.00 0.00 N ATOM 722 CA ARG B 49 13.336 6.515 11.160 1.00 0.00 C ATOM 723 C ARG B 49 12.394 5.511 10.494 1.00 0.00 C ATOM 724 O ARG B 49 12.105 4.456 11.059 1.00 0.00 O ATOM 725 CB ARG B 49 14.772 6.230 10.715 1.00 0.00 C ATOM 726 CG ARG B 49 14.978 6.620 9.250 1.00 0.00 C ATOM 727 CD ARG B 49 14.412 5.551 8.313 1.00 0.00 C ATOM 728 NE ARG B 49 15.477 5.044 7.420 1.00 0.00 N ATOM 729 CZ ARG B 49 15.836 5.633 6.259 1.00 0.00 C ATOM 730 NH1 ARG B 49 15.215 6.757 5.841 1.00 0.00 N ATOM 731 NH2 ARG B 49 16.802 5.094 5.539 1.00 0.00 N ATOM 0 H ARG B 49 12.594 5.702 12.943 1.00 0.00 H new ATOM 0 HA ARG B 49 13.068 7.527 10.856 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.469 6.784 11.344 1.00 0.00 H new ATOM 0 HB3 ARG B 49 14.995 5.171 10.848 1.00 0.00 H new ATOM 0 HG2 ARG B 49 14.492 7.576 9.053 1.00 0.00 H new ATOM 0 HG3 ARG B 49 16.041 6.756 9.052 1.00 0.00 H new ATOM 0 HD2 ARG B 49 13.993 4.730 8.895 1.00 0.00 H new ATOM 0 HD3 ARG B 49 13.598 5.969 7.721 1.00 0.00 H new ATOM 0 HE ARG B 49 15.971 4.196 7.699 1.00 0.00 H new ATOM 0 HH11 ARG B 49 14.469 7.167 6.403 1.00 0.00 H new ATOM 0 HH12 ARG B 49 15.492 7.196 4.963 1.00 0.00 H new ATOM 0 HH21 ARG B 49 17.266 4.245 5.862 1.00 0.00 H new ATOM 0 HH22 ARG B 49 17.085 5.527 4.660 1.00 0.00 H new ATOM 744 N CYS B 50 11.940 5.873 9.303 1.00 0.00 N ATOM 745 CA CYS B 50 11.036 5.017 8.555 1.00 0.00 C ATOM 746 C CYS B 50 11.267 5.263 7.062 1.00 0.00 C ATOM 747 O CYS B 50 11.436 6.404 6.637 1.00 0.00 O ATOM 748 CB CYS B 50 9.577 5.249 8.952 1.00 0.00 C ATOM 749 SG CYS B 50 9.218 5.006 10.730 1.00 0.00 S ATOM 0 H CYS B 50 12.182 6.748 8.838 1.00 0.00 H new ATOM 0 HA CYS B 50 11.245 3.973 8.788 1.00 0.00 H new ATOM 0 HB2 CYS B 50 9.297 6.265 8.675 1.00 0.00 H new ATOM 0 HB3 CYS B 50 8.946 4.575 8.373 1.00 0.00 H new ATOM 754 N TRP B 51 11.267 4.173 6.309 1.00 0.00 N ATOM 755 CA TRP B 51 11.474 4.256 4.873 1.00 0.00 C ATOM 756 C TRP B 51 10.718 3.098 4.218 1.00 0.00 C ATOM 757 O TRP B 51 11.302 2.055 3.931 1.00 0.00 O ATOM 758 CB TRP B 51 12.966 4.263 4.534 1.00 0.00 C ATOM 759 CG TRP B 51 13.288 3.752 3.128 1.00 0.00 C ATOM 760 CD1 TRP B 51 13.343 4.454 1.988 1.00 0.00 C ATOM 761 CD2 TRP B 51 13.598 2.392 2.758 1.00 0.00 C ATOM 762 NE1 TRP B 51 13.665 3.649 0.914 1.00 0.00 N ATOM 763 CE2 TRP B 51 13.824 2.355 1.397 1.00 0.00 C ATOM 764 CE3 TRP B 51 13.684 1.231 3.547 1.00 0.00 C ATOM 765 CZ2 TRP B 51 14.152 1.182 0.706 1.00 0.00 C ATOM 766 CZ3 TRP B 51 14.012 0.068 2.841 1.00 0.00 C ATOM 767 CH2 TRP B 51 14.243 0.014 1.472 1.00 0.00 C ATOM 0 H TRP B 51 11.127 3.228 6.666 1.00 0.00 H new ATOM 0 HA TRP B 51 11.081 5.194 4.481 1.00 0.00 H new ATOM 0 HB2 TRP B 51 13.346 5.279 4.636 1.00 0.00 H new ATOM 0 HB3 TRP B 51 13.496 3.650 5.263 1.00 0.00 H new ATOM 0 HD1 TRP B 51 13.159 5.516 1.918 1.00 0.00 H new ATOM 0 HE1 TRP B 51 13.767 3.948 -0.056 1.00 0.00 H new ATOM 0 HE3 TRP B 51 13.511 1.236 4.613 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 14.325 1.179 -0.360 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 14.091 -0.853 3.400 1.00 0.00 H new ATOM 0 HH2 TRP B 51 14.492 -0.925 1.001 1.00 0.00 H new TER 778 TRP B 51