USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -30:sc= -2.98! 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= -2.72! USER MOD Single : B 47 TYR OH : rot 180:sc= -0.228 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 7.184 -5.424 0.414 1.00 0.00 N ATOM 2 CA ARG A 1 7.260 -5.852 1.801 1.00 0.00 C ATOM 3 C ARG A 1 7.916 -4.766 2.656 1.00 0.00 C ATOM 4 O ARG A 1 8.973 -4.246 2.301 1.00 0.00 O ATOM 5 CB ARG A 1 8.059 -7.149 1.934 1.00 0.00 C ATOM 6 CG ARG A 1 7.613 -7.944 3.163 1.00 0.00 C ATOM 7 CD ARG A 1 8.203 -7.351 4.444 1.00 0.00 C ATOM 8 NE ARG A 1 8.840 -8.418 5.249 1.00 0.00 N ATOM 9 CZ ARG A 1 10.092 -8.877 5.041 1.00 0.00 C ATOM 10 NH1 ARG A 1 10.854 -8.366 4.051 1.00 0.00 N ATOM 11 NH2 ARG A 1 10.561 -9.834 5.821 1.00 0.00 N ATOM 0 H1 ARG A 1 6.737 -6.170 -0.156 1.00 0.00 H new ATOM 0 H2 ARG A 1 6.618 -4.554 0.350 1.00 0.00 H new ATOM 0 H3 ARG A 1 8.142 -5.241 0.054 1.00 0.00 H new ATOM 0 HA ARG A 1 6.243 -6.029 2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 1 7.928 -7.755 1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.122 -6.919 2.011 1.00 0.00 H new ATOM 0 HG2 ARG A 1 6.525 -7.943 3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 1 7.926 -8.983 3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 1 8.937 -6.584 4.195 1.00 0.00 H new ATOM 0 HD3 ARG A 1 7.419 -6.865 5.024 1.00 0.00 H new ATOM 0 HE ARG A 1 8.299 -8.832 6.008 1.00 0.00 H new ATOM 0 HH11 ARG A 1 10.485 -7.627 3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 1 11.799 -8.719 3.901 1.00 0.00 H new ATOM 0 HH21 ARG A 1 9.979 -10.215 6.567 1.00 0.00 H new ATOM 0 HH22 ARG A 1 11.505 -10.192 5.677 1.00 0.00 H new ATOM 24 N TRP A 2 7.263 -4.455 3.766 1.00 0.00 N ATOM 25 CA TRP A 2 7.769 -3.441 4.674 1.00 0.00 C ATOM 26 C TRP A 2 7.802 -4.040 6.081 1.00 0.00 C ATOM 27 O TRP A 2 6.848 -4.692 6.504 1.00 0.00 O ATOM 28 CB TRP A 2 6.935 -2.161 4.588 1.00 0.00 C ATOM 29 CG TRP A 2 5.519 -2.303 5.150 1.00 0.00 C ATOM 30 CD1 TRP A 2 4.510 -3.041 4.669 1.00 0.00 C ATOM 31 CD2 TRP A 2 4.993 -1.655 6.327 1.00 0.00 C ATOM 32 NE1 TRP A 2 3.377 -2.918 5.446 1.00 0.00 N ATOM 33 CE2 TRP A 2 3.680 -2.047 6.487 1.00 0.00 C ATOM 34 CE3 TRP A 2 5.607 -0.766 7.228 1.00 0.00 C ATOM 35 CZ2 TRP A 2 2.869 -1.602 7.537 1.00 0.00 C ATOM 36 CZ3 TRP A 2 4.783 -0.330 8.272 1.00 0.00 C ATOM 37 CH2 TRP A 2 3.459 -0.716 8.447 1.00 0.00 C ATOM 0 H TRP A 2 6.387 -4.888 4.057 1.00 0.00 H new ATOM 0 HA TRP A 2 8.781 -3.147 4.397 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.451 -1.366 5.127 1.00 0.00 H new ATOM 0 HB3 TRP A 2 6.872 -1.850 3.545 1.00 0.00 H new ATOM 0 HD1 TRP A 2 4.575 -3.656 3.783 1.00 0.00 H new ATOM 0 HE1 TRP A 2 2.482 -3.381 5.287 1.00 0.00 H new ATOM 0 HE3 TRP A 2 6.633 -0.445 7.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 1.843 -1.924 7.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 5.206 0.355 8.992 1.00 0.00 H new ATOM 0 HH2 TRP A 2 2.888 -0.334 9.281 1.00 0.00 H new ATOM 48 N CYS A 3 8.908 -3.797 6.768 1.00 0.00 N ATOM 49 CA CYS A 3 9.077 -4.304 8.119 1.00 0.00 C ATOM 50 C CYS A 3 9.324 -3.116 9.051 1.00 0.00 C ATOM 51 O CYS A 3 9.574 -2.003 8.591 1.00 0.00 O ATOM 52 CB CYS A 3 10.204 -5.336 8.199 1.00 0.00 C ATOM 53 SG CYS A 3 9.680 -7.068 7.922 1.00 0.00 S ATOM 0 H CYS A 3 9.697 -3.255 6.414 1.00 0.00 H new ATOM 0 HA CYS A 3 8.172 -4.826 8.430 1.00 0.00 H new ATOM 0 HB2 CYS A 3 10.966 -5.079 7.463 1.00 0.00 H new ATOM 0 HB3 CYS A 3 10.673 -5.266 9.180 1.00 0.00 H new ATOM 58 N VAL A 4 9.246 -3.393 10.344 1.00 0.00 N ATOM 59 CA VAL A 4 9.458 -2.361 11.345 1.00 0.00 C ATOM 60 C VAL A 4 10.039 -2.996 12.610 1.00 0.00 C ATOM 61 O VAL A 4 9.455 -3.924 13.167 1.00 0.00 O ATOM 62 CB VAL A 4 8.154 -1.604 11.600 1.00 0.00 C ATOM 63 CG1 VAL A 4 7.281 -1.576 10.343 1.00 0.00 C ATOM 64 CG2 VAL A 4 7.393 -2.205 12.783 1.00 0.00 C ATOM 0 H VAL A 4 9.039 -4.317 10.722 1.00 0.00 H new ATOM 0 HA VAL A 4 10.180 -1.626 10.989 1.00 0.00 H new ATOM 0 HB VAL A 4 8.409 -0.575 11.854 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.360 -1.032 10.552 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.821 -1.080 9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.040 -2.596 10.045 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.470 -1.648 12.943 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.156 -3.248 12.571 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.010 -2.148 13.679 1.00 0.00 H new ATOM 74 N TYR A 5 11.181 -2.469 13.028 1.00 0.00 N ATOM 75 CA TYR A 5 11.846 -2.972 14.217 1.00 0.00 C ATOM 76 C TYR A 5 11.935 -1.890 15.295 1.00 0.00 C ATOM 77 O TYR A 5 12.139 -0.717 14.987 1.00 0.00 O ATOM 78 CB TYR A 5 13.261 -3.355 13.779 1.00 0.00 C ATOM 79 CG TYR A 5 13.394 -4.803 13.301 1.00 0.00 C ATOM 80 CD1 TYR A 5 12.753 -5.817 13.985 1.00 0.00 C ATOM 81 CD2 TYR A 5 14.154 -5.095 12.187 1.00 0.00 C ATOM 82 CE1 TYR A 5 12.878 -7.179 13.536 1.00 0.00 C ATOM 83 CE2 TYR A 5 14.279 -6.458 11.738 1.00 0.00 C ATOM 84 CZ TYR A 5 13.635 -7.432 12.434 1.00 0.00 C ATOM 85 OH TYR A 5 13.753 -8.719 12.010 1.00 0.00 O ATOM 0 H TYR A 5 11.662 -1.699 12.564 1.00 0.00 H new ATOM 0 HA TYR A 5 11.296 -3.814 14.637 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.575 -2.688 12.976 1.00 0.00 H new ATOM 0 HB3 TYR A 5 13.944 -3.194 14.613 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.158 -5.588 14.857 1.00 0.00 H new ATOM 0 HD2 TYR A 5 14.655 -4.302 11.652 1.00 0.00 H new ATOM 0 HE1 TYR A 5 12.382 -7.982 14.062 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.871 -6.701 10.868 1.00 0.00 H new ATOM 0 HH TYR A 5 14.322 -8.750 11.212 1.00 0.00 H new ATOM 95 N ALA A 6 11.777 -2.323 16.537 1.00 0.00 N ATOM 96 CA ALA A 6 11.837 -1.406 17.663 1.00 0.00 C ATOM 97 C ALA A 6 12.599 -2.066 18.813 1.00 0.00 C ATOM 98 O ALA A 6 12.454 -3.264 19.053 1.00 0.00 O ATOM 99 CB ALA A 6 10.419 -0.995 18.062 1.00 0.00 C ATOM 0 H ALA A 6 11.607 -3.297 16.789 1.00 0.00 H new ATOM 0 HA ALA A 6 12.375 -0.498 17.391 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.464 -0.307 18.906 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.932 -0.504 17.220 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.850 -1.880 18.345 1.00 0.00 H new ATOM 105 N TYR A 7 13.395 -1.256 19.496 1.00 0.00 N ATOM 106 CA TYR A 7 14.180 -1.746 20.616 1.00 0.00 C ATOM 107 C TYR A 7 14.254 -0.703 21.733 1.00 0.00 C ATOM 108 O TYR A 7 14.869 0.349 21.565 1.00 0.00 O ATOM 109 CB TYR A 7 15.588 -1.991 20.069 1.00 0.00 C ATOM 110 CG TYR A 7 16.564 -2.566 21.097 1.00 0.00 C ATOM 111 CD1 TYR A 7 16.985 -1.791 22.158 1.00 0.00 C ATOM 112 CD2 TYR A 7 17.023 -3.861 20.963 1.00 0.00 C ATOM 113 CE1 TYR A 7 17.903 -2.333 23.126 1.00 0.00 C ATOM 114 CE2 TYR A 7 17.941 -4.403 21.931 1.00 0.00 C ATOM 115 CZ TYR A 7 18.336 -3.612 22.965 1.00 0.00 C ATOM 116 OH TYR A 7 19.203 -4.124 23.879 1.00 0.00 O ATOM 0 H TYR A 7 13.513 -0.263 19.295 1.00 0.00 H new ATOM 0 HA TYR A 7 13.731 -2.647 21.034 1.00 0.00 H new ATOM 0 HB2 TYR A 7 15.524 -2.674 19.222 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.988 -1.051 19.690 1.00 0.00 H new ATOM 0 HD1 TYR A 7 16.626 -0.778 22.263 1.00 0.00 H new ATOM 0 HD2 TYR A 7 16.694 -4.468 20.132 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.240 -1.737 23.961 1.00 0.00 H new ATOM 0 HE2 TYR A 7 18.308 -5.415 21.838 1.00 0.00 H new ATOM 0 HH TYR A 7 19.755 -3.402 24.246 1.00 0.00 H new ATOM 126 N VAL A 8 13.617 -1.031 22.848 1.00 0.00 N ATOM 127 CA VAL A 8 13.603 -0.135 23.992 1.00 0.00 C ATOM 128 C VAL A 8 14.319 -0.804 25.167 1.00 0.00 C ATOM 129 O VAL A 8 14.060 -1.967 25.476 1.00 0.00 O ATOM 130 CB VAL A 8 12.165 0.270 24.321 1.00 0.00 C ATOM 131 CG1 VAL A 8 12.136 1.411 25.339 1.00 0.00 C ATOM 132 CG2 VAL A 8 11.397 0.648 23.052 1.00 0.00 C ATOM 0 H VAL A 8 13.107 -1.904 22.983 1.00 0.00 H new ATOM 0 HA VAL A 8 14.142 0.785 23.764 1.00 0.00 H new ATOM 0 HB VAL A 8 11.669 -0.591 24.769 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.102 1.679 25.555 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.628 1.091 26.258 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.658 2.276 24.930 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.378 0.932 23.314 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.893 1.487 22.563 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.373 -0.205 22.374 1.00 0.00 H new ATOM 142 N ARG A 9 15.206 -0.042 25.790 1.00 0.00 N ATOM 143 CA ARG A 9 15.961 -0.546 26.924 1.00 0.00 C ATOM 144 C ARG A 9 16.260 0.586 27.908 1.00 0.00 C ATOM 145 O ARG A 9 16.945 1.548 27.564 1.00 0.00 O ATOM 146 CB ARG A 9 17.278 -1.180 26.470 1.00 0.00 C ATOM 147 CG ARG A 9 18.312 -1.160 27.597 1.00 0.00 C ATOM 148 CD ARG A 9 19.555 -1.967 27.216 1.00 0.00 C ATOM 149 NE ARG A 9 20.752 -1.097 27.242 1.00 0.00 N ATOM 150 CZ ARG A 9 22.012 -1.548 27.416 1.00 0.00 C ATOM 151 NH1 ARG A 9 22.251 -2.867 27.581 1.00 0.00 N ATOM 152 NH2 ARG A 9 23.007 -0.681 27.422 1.00 0.00 N ATOM 0 H ARG A 9 15.419 0.921 25.530 1.00 0.00 H new ATOM 0 HA ARG A 9 15.354 -1.307 27.415 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.101 -2.207 26.152 1.00 0.00 H new ATOM 0 HB3 ARG A 9 17.666 -0.641 25.606 1.00 0.00 H new ATOM 0 HG2 ARG A 9 18.596 -0.131 27.817 1.00 0.00 H new ATOM 0 HG3 ARG A 9 17.872 -1.570 28.506 1.00 0.00 H new ATOM 0 HD2 ARG A 9 19.685 -2.799 27.908 1.00 0.00 H new ATOM 0 HD3 ARG A 9 19.429 -2.396 26.222 1.00 0.00 H new ATOM 0 HE ARG A 9 20.616 -0.093 27.121 1.00 0.00 H new ATOM 0 HH11 ARG A 9 21.476 -3.530 27.575 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.206 -3.200 27.712 1.00 0.00 H new ATOM 0 HH21 ARG A 9 22.818 0.313 27.296 1.00 0.00 H new ATOM 0 HH22 ARG A 9 23.965 -1.005 27.552 1.00 0.00 H new ATOM 165 N ILE A 10 15.731 0.434 29.114 1.00 0.00 N ATOM 166 CA ILE A 10 15.933 1.432 30.151 1.00 0.00 C ATOM 167 C ILE A 10 15.906 0.750 31.520 1.00 0.00 C ATOM 168 O ILE A 10 15.277 -0.294 31.686 1.00 0.00 O ATOM 169 CB ILE A 10 14.915 2.566 30.008 1.00 0.00 C ATOM 170 CG1 ILE A 10 14.482 2.733 28.550 1.00 0.00 C ATOM 171 CG2 ILE A 10 15.460 3.868 30.597 1.00 0.00 C ATOM 172 CD1 ILE A 10 13.372 3.779 28.425 1.00 0.00 C ATOM 0 H ILE A 10 15.163 -0.365 29.396 1.00 0.00 H new ATOM 0 HA ILE A 10 16.912 1.899 30.046 1.00 0.00 H new ATOM 0 HB ILE A 10 14.025 2.301 30.579 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.338 3.031 27.944 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.132 1.778 28.159 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.718 4.658 30.483 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.678 3.725 31.655 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.373 4.150 30.073 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.082 3.879 27.379 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.509 3.466 29.012 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.733 4.739 28.795 1.00 0.00 H new ATOM 184 N ARG A 11 16.596 1.369 32.467 1.00 0.00 N ATOM 185 CA ARG A 11 16.659 0.835 33.817 1.00 0.00 C ATOM 186 C ARG A 11 17.301 -0.554 33.809 1.00 0.00 C ATOM 187 O ARG A 11 18.484 -0.696 34.112 1.00 0.00 O ATOM 188 CB ARG A 11 15.264 0.741 34.438 1.00 0.00 C ATOM 189 CG ARG A 11 14.628 2.126 34.569 1.00 0.00 C ATOM 190 CD ARG A 11 15.699 3.215 34.666 1.00 0.00 C ATOM 191 NE ARG A 11 15.065 4.526 34.929 1.00 0.00 N ATOM 192 CZ ARG A 11 15.716 5.707 34.864 1.00 0.00 C ATOM 193 NH1 ARG A 11 17.026 5.751 34.543 1.00 0.00 N ATOM 194 NH2 ARG A 11 15.051 6.819 35.118 1.00 0.00 N ATOM 0 H ARG A 11 17.116 2.235 32.326 1.00 0.00 H new ATOM 0 HA ARG A 11 17.265 1.516 34.415 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.630 0.103 33.822 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.330 0.273 35.420 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.986 2.318 33.709 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.993 2.156 35.454 1.00 0.00 H new ATOM 0 HD2 ARG A 11 16.402 2.975 35.464 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.271 3.258 33.739 1.00 0.00 H new ATOM 0 HE ARG A 11 14.075 4.538 35.175 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.532 4.888 34.347 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.510 6.648 34.496 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.061 6.777 35.359 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.528 7.720 35.073 1.00 0.00 H new ATOM 207 N GLY A 12 16.492 -1.543 33.459 1.00 0.00 N ATOM 208 CA GLY A 12 16.966 -2.915 33.408 1.00 0.00 C ATOM 209 C GLY A 12 15.984 -3.806 32.644 1.00 0.00 C ATOM 210 O GLY A 12 15.904 -5.007 32.897 1.00 0.00 O ATOM 0 H GLY A 12 15.511 -1.421 33.208 1.00 0.00 H new ATOM 0 HA2 GLY A 12 17.943 -2.948 32.926 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.097 -3.296 34.421 1.00 0.00 H new ATOM 214 N VAL A 13 15.261 -3.183 31.725 1.00 0.00 N ATOM 215 CA VAL A 13 14.288 -3.905 30.922 1.00 0.00 C ATOM 216 C VAL A 13 14.595 -3.688 29.439 1.00 0.00 C ATOM 217 O VAL A 13 15.198 -2.683 29.067 1.00 0.00 O ATOM 218 CB VAL A 13 12.871 -3.476 31.308 1.00 0.00 C ATOM 219 CG1 VAL A 13 11.825 -4.359 30.624 1.00 0.00 C ATOM 220 CG2 VAL A 13 12.689 -3.487 32.827 1.00 0.00 C ATOM 0 H VAL A 13 15.329 -2.186 31.518 1.00 0.00 H new ATOM 0 HA VAL A 13 14.353 -4.976 31.114 1.00 0.00 H new ATOM 0 HB VAL A 13 12.725 -2.453 30.961 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.827 -4.033 30.915 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.932 -4.278 29.542 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.970 -5.396 30.926 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.673 -3.178 33.074 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.865 -4.493 33.207 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.399 -2.797 33.284 1.00 0.00 H new ATOM 230 N LEU A 14 14.166 -4.648 28.633 1.00 0.00 N ATOM 231 CA LEU A 14 14.388 -4.575 27.199 1.00 0.00 C ATOM 232 C LEU A 14 13.133 -5.056 26.468 1.00 0.00 C ATOM 233 O LEU A 14 12.796 -6.238 26.518 1.00 0.00 O ATOM 234 CB LEU A 14 15.656 -5.340 26.813 1.00 0.00 C ATOM 235 CG LEU A 14 15.955 -5.430 25.315 1.00 0.00 C ATOM 236 CD1 LEU A 14 15.458 -4.184 24.581 1.00 0.00 C ATOM 237 CD2 LEU A 14 17.443 -5.685 25.068 1.00 0.00 C ATOM 0 H LEU A 14 13.666 -5.480 28.946 1.00 0.00 H new ATOM 0 HA LEU A 14 14.560 -3.543 26.892 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.506 -4.867 27.305 1.00 0.00 H new ATOM 0 HB3 LEU A 14 15.581 -6.352 27.210 1.00 0.00 H new ATOM 0 HG LEU A 14 15.410 -6.282 24.908 1.00 0.00 H new ATOM 0 HD11 LEU A 14 15.683 -4.274 23.518 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.381 -4.087 24.717 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.955 -3.302 24.984 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.629 -5.745 23.996 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.027 -4.869 25.493 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.734 -6.623 25.540 1.00 0.00 H new ATOM 249 N VAL A 15 12.475 -4.116 25.805 1.00 0.00 N ATOM 250 CA VAL A 15 11.265 -4.429 25.065 1.00 0.00 C ATOM 251 C VAL A 15 11.526 -4.247 23.569 1.00 0.00 C ATOM 252 O VAL A 15 11.400 -3.143 23.043 1.00 0.00 O ATOM 253 CB VAL A 15 10.103 -3.576 25.577 1.00 0.00 C ATOM 254 CG1 VAL A 15 8.763 -4.273 25.336 1.00 0.00 C ATOM 255 CG2 VAL A 15 10.284 -3.234 27.057 1.00 0.00 C ATOM 0 H VAL A 15 12.758 -3.137 25.765 1.00 0.00 H new ATOM 0 HA VAL A 15 10.980 -5.470 25.221 1.00 0.00 H new ATOM 0 HB VAL A 15 10.101 -2.642 25.015 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.954 -3.645 25.709 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.628 -4.442 24.268 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.751 -5.229 25.859 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.444 -2.627 27.396 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.326 -4.154 27.641 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.211 -2.677 27.191 1.00 0.00 H new ATOM 265 N ARG A 16 11.885 -5.348 22.925 1.00 0.00 N ATOM 266 CA ARG A 16 12.165 -5.324 21.499 1.00 0.00 C ATOM 267 C ARG A 16 10.888 -5.599 20.703 1.00 0.00 C ATOM 268 O ARG A 16 10.438 -6.740 20.618 1.00 0.00 O ATOM 269 CB ARG A 16 13.223 -6.366 21.128 1.00 0.00 C ATOM 270 CG ARG A 16 14.568 -6.036 21.777 1.00 0.00 C ATOM 271 CD ARG A 16 15.672 -6.956 21.250 1.00 0.00 C ATOM 272 NE ARG A 16 16.003 -7.981 22.265 1.00 0.00 N ATOM 273 CZ ARG A 16 17.057 -8.821 22.177 1.00 0.00 C ATOM 274 NH1 ARG A 16 17.891 -8.764 21.116 1.00 0.00 N ATOM 275 NH2 ARG A 16 17.259 -9.698 23.142 1.00 0.00 N ATOM 0 H ARG A 16 11.988 -6.263 23.364 1.00 0.00 H new ATOM 0 HA ARG A 16 12.545 -4.333 21.252 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.893 -7.354 21.448 1.00 0.00 H new ATOM 0 HB3 ARG A 16 13.337 -6.404 20.045 1.00 0.00 H new ATOM 0 HG2 ARG A 16 14.828 -4.997 21.575 1.00 0.00 H new ATOM 0 HG3 ARG A 16 14.489 -6.140 22.859 1.00 0.00 H new ATOM 0 HD2 ARG A 16 15.347 -7.437 20.328 1.00 0.00 H new ATOM 0 HD3 ARG A 16 16.560 -6.371 21.008 1.00 0.00 H new ATOM 0 HE ARG A 16 15.397 -8.058 23.082 1.00 0.00 H new ATOM 0 HH11 ARG A 16 17.727 -8.083 20.374 1.00 0.00 H new ATOM 0 HH12 ARG A 16 18.685 -9.402 21.057 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.624 -9.734 23.939 1.00 0.00 H new ATOM 0 HH22 ARG A 16 18.050 -10.339 23.091 1.00 0.00 H new ATOM 288 N TYR A 17 10.340 -4.532 20.139 1.00 0.00 N ATOM 289 CA TYR A 17 9.123 -4.644 19.352 1.00 0.00 C ATOM 290 C TYR A 17 9.445 -4.908 17.880 1.00 0.00 C ATOM 291 O TYR A 17 10.515 -4.539 17.398 1.00 0.00 O ATOM 292 CB TYR A 17 8.418 -3.292 19.473 1.00 0.00 C ATOM 293 CG TYR A 17 6.892 -3.376 19.392 1.00 0.00 C ATOM 294 CD1 TYR A 17 6.265 -3.369 18.163 1.00 0.00 C ATOM 295 CD2 TYR A 17 6.143 -3.460 20.548 1.00 0.00 C ATOM 296 CE1 TYR A 17 4.829 -3.449 18.086 1.00 0.00 C ATOM 297 CE2 TYR A 17 4.707 -3.539 20.472 1.00 0.00 C ATOM 298 CZ TYR A 17 4.121 -3.530 19.245 1.00 0.00 C ATOM 299 OH TYR A 17 2.765 -3.605 19.172 1.00 0.00 O ATOM 0 H TYR A 17 10.716 -3.587 20.211 1.00 0.00 H new ATOM 0 HA TYR A 17 8.508 -5.470 19.710 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.696 -2.832 20.421 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.778 -2.634 18.682 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.851 -3.304 17.258 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.634 -3.466 21.510 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.326 -3.445 17.130 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.109 -3.604 21.369 1.00 0.00 H new ATOM 0 HH TYR A 17 2.391 -3.659 20.076 1.00 0.00 H new ATOM 309 N ARG A 18 8.499 -5.546 17.206 1.00 0.00 N ATOM 310 CA ARG A 18 8.668 -5.864 15.799 1.00 0.00 C ATOM 311 C ARG A 18 7.307 -5.931 15.103 1.00 0.00 C ATOM 312 O ARG A 18 6.272 -6.014 15.762 1.00 0.00 O ATOM 313 CB ARG A 18 9.392 -7.200 15.619 1.00 0.00 C ATOM 314 CG ARG A 18 8.961 -8.205 16.689 1.00 0.00 C ATOM 315 CD ARG A 18 9.853 -9.448 16.664 1.00 0.00 C ATOM 316 NE ARG A 18 9.565 -10.253 15.455 1.00 0.00 N ATOM 317 CZ ARG A 18 10.268 -11.346 15.089 1.00 0.00 C ATOM 318 NH1 ARG A 18 11.307 -11.774 15.837 1.00 0.00 N ATOM 319 NH2 ARG A 18 9.924 -11.989 13.989 1.00 0.00 N ATOM 0 H ARG A 18 7.613 -5.851 17.609 1.00 0.00 H new ATOM 0 HA ARG A 18 9.271 -5.074 15.351 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.178 -7.603 14.629 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.469 -7.044 15.674 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.010 -7.738 17.673 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.923 -8.494 16.524 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.902 -9.153 16.673 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.682 -10.047 17.559 1.00 0.00 H new ATOM 0 HE ARG A 18 8.787 -9.964 14.862 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.566 -11.271 16.686 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.833 -12.601 15.554 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.138 -11.658 13.430 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.444 -12.817 13.698 1.00 0.00 H new ATOM 332 N ARG A 19 7.352 -5.894 13.779 1.00 0.00 N ATOM 333 CA ARG A 19 6.136 -5.950 12.986 1.00 0.00 C ATOM 334 C ARG A 19 6.470 -5.881 11.495 1.00 0.00 C ATOM 335 O ARG A 19 7.458 -5.261 11.105 1.00 0.00 O ATOM 336 CB ARG A 19 5.192 -4.800 13.344 1.00 0.00 C ATOM 337 CG ARG A 19 3.756 -5.119 12.925 1.00 0.00 C ATOM 338 CD ARG A 19 3.504 -4.707 11.473 1.00 0.00 C ATOM 339 NE ARG A 19 2.207 -4.001 11.365 1.00 0.00 N ATOM 340 CZ ARG A 19 1.008 -4.586 11.572 1.00 0.00 C ATOM 341 NH1 ARG A 19 0.931 -5.893 11.901 1.00 0.00 N ATOM 342 NH2 ARG A 19 -0.088 -3.860 11.448 1.00 0.00 N ATOM 0 H ARG A 19 8.212 -5.826 13.235 1.00 0.00 H new ATOM 0 HA ARG A 19 5.640 -6.895 13.207 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.229 -4.615 14.418 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.524 -3.886 12.852 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.568 -6.186 13.042 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.058 -4.599 13.581 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.309 -4.060 11.125 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.502 -5.588 10.831 1.00 0.00 H new ATOM 0 HE ARG A 19 2.220 -3.011 11.119 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.783 -6.446 11.995 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.021 -6.327 12.056 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.021 -2.873 11.199 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.002 -4.286 11.601 1.00 0.00 H new ATOM 355 N CYS A 20 5.628 -6.527 10.702 1.00 0.00 N ATOM 356 CA CYS A 20 5.822 -6.547 9.262 1.00 0.00 C ATOM 357 C CYS A 20 4.451 -6.674 8.594 1.00 0.00 C ATOM 358 O CYS A 20 3.598 -7.428 9.060 1.00 0.00 O ATOM 359 CB CYS A 20 6.771 -7.669 8.835 1.00 0.00 C ATOM 360 SG CYS A 20 8.468 -7.536 9.507 1.00 0.00 S ATOM 0 H CYS A 20 4.810 -7.041 11.029 1.00 0.00 H new ATOM 0 HA CYS A 20 6.296 -5.618 8.943 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.346 -8.623 9.146 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.826 -7.684 7.747 1.00 0.00 H new ATOM 365 N TRP A 21 4.283 -5.926 7.514 1.00 0.00 N ATOM 366 CA TRP A 21 3.031 -5.946 6.778 1.00 0.00 C ATOM 367 C TRP A 21 3.336 -5.613 5.316 1.00 0.00 C ATOM 368 O TRP A 21 4.401 -5.960 4.806 1.00 0.00 O ATOM 369 CB TRP A 21 2.010 -4.995 7.406 1.00 0.00 C ATOM 370 CG TRP A 21 0.825 -4.665 6.497 1.00 0.00 C ATOM 371 CD1 TRP A 21 0.001 -3.610 6.566 1.00 0.00 C ATOM 372 CD2 TRP A 21 0.361 -5.442 5.373 1.00 0.00 C ATOM 373 NE1 TRP A 21 -0.955 -3.650 5.572 1.00 0.00 N ATOM 374 CE2 TRP A 21 -0.730 -4.799 4.823 1.00 0.00 C ATOM 375 CE3 TRP A 21 0.847 -6.648 4.837 1.00 0.00 C ATOM 376 CZ2 TRP A 21 -1.426 -5.286 3.711 1.00 0.00 C ATOM 377 CZ3 TRP A 21 0.140 -7.121 3.726 1.00 0.00 C ATOM 378 CH2 TRP A 21 -0.960 -6.486 3.161 1.00 0.00 C ATOM 0 H TRP A 21 4.993 -5.302 7.131 1.00 0.00 H new ATOM 0 HA TRP A 21 2.574 -6.935 6.822 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.635 -5.439 8.328 1.00 0.00 H new ATOM 0 HB3 TRP A 21 2.513 -4.068 7.680 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.076 -2.827 7.306 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.692 -2.962 5.415 1.00 0.00 H new ATOM 0 HE3 TRP A 21 1.699 -7.168 5.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -2.277 -4.764 3.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.472 -8.045 3.276 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.453 -6.916 2.302 1.00 0.00 H new TER 389 TRP A 21 ATOM 390 N ARG B 31 8.359 0.013 3.291 1.00 0.00 N ATOM 391 CA ARG B 31 9.375 0.805 3.962 1.00 0.00 C ATOM 392 C ARG B 31 9.962 0.027 5.142 1.00 0.00 C ATOM 393 O ARG B 31 9.620 -1.135 5.354 1.00 0.00 O ATOM 394 CB ARG B 31 8.797 2.128 4.470 1.00 0.00 C ATOM 395 CG ARG B 31 7.357 1.946 4.955 1.00 0.00 C ATOM 396 CD ARG B 31 6.368 2.071 3.794 1.00 0.00 C ATOM 397 NE ARG B 31 5.737 3.410 3.809 1.00 0.00 N ATOM 398 CZ ARG B 31 4.573 3.705 3.192 1.00 0.00 C ATOM 399 NH1 ARG B 31 3.903 2.757 2.504 1.00 0.00 N ATOM 400 NH2 ARG B 31 4.101 4.935 3.271 1.00 0.00 N ATOM 0 HA ARG B 31 10.160 1.019 3.237 1.00 0.00 H new ATOM 0 HB2 ARG B 31 9.413 2.510 5.284 1.00 0.00 H new ATOM 0 HB3 ARG B 31 8.825 2.871 3.673 1.00 0.00 H new ATOM 0 HG2 ARG B 31 7.249 0.969 5.426 1.00 0.00 H new ATOM 0 HG3 ARG B 31 7.128 2.693 5.715 1.00 0.00 H new ATOM 0 HD2 ARG B 31 6.884 1.914 2.847 1.00 0.00 H new ATOM 0 HD3 ARG B 31 5.603 1.298 3.872 1.00 0.00 H new ATOM 0 HE ARG B 31 6.211 4.156 4.317 1.00 0.00 H new ATOM 0 HH11 ARG B 31 4.275 1.809 2.447 1.00 0.00 H new ATOM 0 HH12 ARG B 31 3.024 2.988 2.041 1.00 0.00 H new ATOM 0 HH21 ARG B 31 4.614 5.646 3.792 1.00 0.00 H new ATOM 0 HH22 ARG B 31 3.223 5.175 2.811 1.00 0.00 H new ATOM 413 N TRP B 32 10.835 0.699 5.877 1.00 0.00 N ATOM 414 CA TRP B 32 11.472 0.085 7.030 1.00 0.00 C ATOM 415 C TRP B 32 11.509 1.119 8.156 1.00 0.00 C ATOM 416 O TRP B 32 12.306 2.055 8.118 1.00 0.00 O ATOM 417 CB TRP B 32 12.858 -0.455 6.667 1.00 0.00 C ATOM 418 CG TRP B 32 12.856 -1.912 6.202 1.00 0.00 C ATOM 419 CD1 TRP B 32 12.669 -2.382 4.961 1.00 0.00 C ATOM 420 CD2 TRP B 32 13.059 -3.079 7.027 1.00 0.00 C ATOM 421 NE1 TRP B 32 12.737 -3.760 4.926 1.00 0.00 N ATOM 422 CE2 TRP B 32 12.981 -4.197 6.222 1.00 0.00 C ATOM 423 CE3 TRP B 32 13.301 -3.185 8.408 1.00 0.00 C ATOM 424 CZ2 TRP B 32 13.134 -5.502 6.706 1.00 0.00 C ATOM 425 CZ3 TRP B 32 13.450 -4.496 8.876 1.00 0.00 C ATOM 426 CH2 TRP B 32 13.375 -5.632 8.079 1.00 0.00 C ATOM 0 H TRP B 32 11.117 1.663 5.697 1.00 0.00 H new ATOM 0 HA TRP B 32 10.903 -0.780 7.371 1.00 0.00 H new ATOM 0 HB2 TRP B 32 13.284 0.166 5.879 1.00 0.00 H new ATOM 0 HB3 TRP B 32 13.511 -0.362 7.534 1.00 0.00 H new ATOM 0 HD1 TRP B 32 12.488 -1.760 4.097 1.00 0.00 H new ATOM 0 HE1 TRP B 32 12.628 -4.349 4.101 1.00 0.00 H new ATOM 0 HE3 TRP B 32 13.367 -2.324 9.056 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 13.070 -6.362 6.055 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 13.636 -4.634 9.931 1.00 0.00 H new ATOM 0 HH2 TRP B 32 13.502 -6.611 8.517 1.00 0.00 H new ATOM 437 N CYS B 33 10.638 0.914 9.133 1.00 0.00 N ATOM 438 CA CYS B 33 10.561 1.817 10.269 1.00 0.00 C ATOM 439 C CYS B 33 11.520 1.314 11.349 1.00 0.00 C ATOM 440 O CYS B 33 11.847 0.129 11.390 1.00 0.00 O ATOM 441 CB CYS B 33 9.129 1.946 10.793 1.00 0.00 C ATOM 442 SG CYS B 33 8.153 3.297 10.035 1.00 0.00 S ATOM 0 H CYS B 33 9.979 0.136 9.162 1.00 0.00 H new ATOM 0 HA CYS B 33 10.857 2.820 9.960 1.00 0.00 H new ATOM 0 HB2 CYS B 33 8.609 1.003 10.625 1.00 0.00 H new ATOM 0 HB3 CYS B 33 9.164 2.103 11.871 1.00 0.00 H new ATOM 447 N VAL B 34 11.945 2.239 12.196 1.00 0.00 N ATOM 448 CA VAL B 34 12.860 1.904 13.274 1.00 0.00 C ATOM 449 C VAL B 34 12.621 2.849 14.453 1.00 0.00 C ATOM 450 O VAL B 34 12.702 4.067 14.303 1.00 0.00 O ATOM 451 CB VAL B 34 14.303 1.938 12.764 1.00 0.00 C ATOM 452 CG1 VAL B 34 14.465 1.062 11.520 1.00 0.00 C ATOM 453 CG2 VAL B 34 14.753 3.373 12.486 1.00 0.00 C ATOM 0 H VAL B 34 11.673 3.221 12.158 1.00 0.00 H new ATOM 0 HA VAL B 34 12.677 0.890 13.629 1.00 0.00 H new ATOM 0 HB VAL B 34 14.944 1.532 13.546 1.00 0.00 H new ATOM 0 HG11 VAL B 34 15.499 1.104 11.178 1.00 0.00 H new ATOM 0 HG12 VAL B 34 14.205 0.032 11.764 1.00 0.00 H new ATOM 0 HG13 VAL B 34 13.807 1.425 10.731 1.00 0.00 H new ATOM 0 HG21 VAL B 34 15.781 3.368 12.125 1.00 0.00 H new ATOM 0 HG22 VAL B 34 14.105 3.818 11.730 1.00 0.00 H new ATOM 0 HG23 VAL B 34 14.694 3.957 13.404 1.00 0.00 H new ATOM 463 N TYR B 35 12.332 2.252 15.600 1.00 0.00 N ATOM 464 CA TYR B 35 12.080 3.025 16.804 1.00 0.00 C ATOM 465 C TYR B 35 12.638 2.313 18.039 1.00 0.00 C ATOM 466 O TYR B 35 12.098 1.295 18.469 1.00 0.00 O ATOM 467 CB TYR B 35 10.559 3.125 16.931 1.00 0.00 C ATOM 468 CG TYR B 35 10.075 4.404 17.615 1.00 0.00 C ATOM 469 CD1 TYR B 35 10.504 5.635 17.161 1.00 0.00 C ATOM 470 CD2 TYR B 35 9.208 4.328 18.686 1.00 0.00 C ATOM 471 CE1 TYR B 35 10.048 6.839 17.806 1.00 0.00 C ATOM 472 CE2 TYR B 35 8.752 5.533 19.331 1.00 0.00 C ATOM 473 CZ TYR B 35 9.195 6.729 18.858 1.00 0.00 C ATOM 474 OH TYR B 35 8.764 7.866 19.467 1.00 0.00 O ATOM 0 H TYR B 35 12.267 1.241 15.721 1.00 0.00 H new ATOM 0 HA TYR B 35 12.559 4.002 16.740 1.00 0.00 H new ATOM 0 HB2 TYR B 35 10.117 3.068 15.936 1.00 0.00 H new ATOM 0 HB3 TYR B 35 10.194 2.265 17.492 1.00 0.00 H new ATOM 0 HD1 TYR B 35 11.182 5.695 16.322 1.00 0.00 H new ATOM 0 HD2 TYR B 35 8.871 3.365 19.041 1.00 0.00 H new ATOM 0 HE1 TYR B 35 10.377 7.808 17.461 1.00 0.00 H new ATOM 0 HE2 TYR B 35 8.074 5.488 20.171 1.00 0.00 H new ATOM 0 HH TYR B 35 8.159 7.634 20.202 1.00 0.00 H new ATOM 484 N ALA B 36 13.710 2.878 18.574 1.00 0.00 N ATOM 485 CA ALA B 36 14.346 2.310 19.750 1.00 0.00 C ATOM 486 C ALA B 36 14.577 3.415 20.783 1.00 0.00 C ATOM 487 O ALA B 36 14.663 4.591 20.431 1.00 0.00 O ATOM 488 CB ALA B 36 15.645 1.613 19.342 1.00 0.00 C ATOM 0 H ALA B 36 14.154 3.723 18.215 1.00 0.00 H new ATOM 0 HA ALA B 36 13.703 1.559 20.209 1.00 0.00 H new ATOM 0 HB1 ALA B 36 16.122 1.187 20.225 1.00 0.00 H new ATOM 0 HB2 ALA B 36 15.423 0.818 18.630 1.00 0.00 H new ATOM 0 HB3 ALA B 36 16.317 2.337 18.880 1.00 0.00 H new ATOM 494 N TYR B 37 14.670 2.999 22.038 1.00 0.00 N ATOM 495 CA TYR B 37 14.889 3.939 23.124 1.00 0.00 C ATOM 496 C TYR B 37 15.777 3.326 24.208 1.00 0.00 C ATOM 497 O TYR B 37 15.281 2.867 25.236 1.00 0.00 O ATOM 498 CB TYR B 37 13.508 4.228 23.716 1.00 0.00 C ATOM 499 CG TYR B 37 13.453 5.491 24.578 1.00 0.00 C ATOM 500 CD1 TYR B 37 13.923 5.461 25.876 1.00 0.00 C ATOM 501 CD2 TYR B 37 12.934 6.659 24.059 1.00 0.00 C ATOM 502 CE1 TYR B 37 13.871 6.649 26.688 1.00 0.00 C ATOM 503 CE2 TYR B 37 12.882 7.847 24.871 1.00 0.00 C ATOM 504 CZ TYR B 37 13.353 7.784 26.145 1.00 0.00 C ATOM 505 OH TYR B 37 13.305 8.906 26.912 1.00 0.00 O ATOM 0 H TYR B 37 14.598 2.023 22.327 1.00 0.00 H new ATOM 0 HA TYR B 37 15.384 4.839 22.759 1.00 0.00 H new ATOM 0 HB2 TYR B 37 12.788 4.324 22.903 1.00 0.00 H new ATOM 0 HB3 TYR B 37 13.197 3.375 24.319 1.00 0.00 H new ATOM 0 HD1 TYR B 37 14.330 4.547 26.282 1.00 0.00 H new ATOM 0 HD2 TYR B 37 12.567 6.682 23.044 1.00 0.00 H new ATOM 0 HE1 TYR B 37 14.235 6.639 27.705 1.00 0.00 H new ATOM 0 HE2 TYR B 37 12.478 8.768 24.477 1.00 0.00 H new ATOM 0 HH TYR B 37 12.912 9.640 26.394 1.00 0.00 H new ATOM 515 N VAL B 38 17.075 3.338 23.942 1.00 0.00 N ATOM 516 CA VAL B 38 18.037 2.789 24.883 1.00 0.00 C ATOM 517 C VAL B 38 18.658 3.928 25.694 1.00 0.00 C ATOM 518 O VAL B 38 18.960 4.989 25.150 1.00 0.00 O ATOM 519 CB VAL B 38 19.077 1.950 24.137 1.00 0.00 C ATOM 520 CG1 VAL B 38 20.166 1.453 25.091 1.00 0.00 C ATOM 521 CG2 VAL B 38 18.416 0.781 23.404 1.00 0.00 C ATOM 0 H VAL B 38 17.483 3.719 23.088 1.00 0.00 H new ATOM 0 HA VAL B 38 17.543 2.120 25.588 1.00 0.00 H new ATOM 0 HB VAL B 38 19.550 2.589 23.391 1.00 0.00 H new ATOM 0 HG11 VAL B 38 20.893 0.859 24.536 1.00 0.00 H new ATOM 0 HG12 VAL B 38 20.667 2.307 25.547 1.00 0.00 H new ATOM 0 HG13 VAL B 38 19.715 0.839 25.870 1.00 0.00 H new ATOM 0 HG21 VAL B 38 19.178 0.201 22.882 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.904 0.143 24.124 1.00 0.00 H new ATOM 0 HG23 VAL B 38 17.695 1.165 22.683 1.00 0.00 H new ATOM 531 N ARG B 39 18.829 3.669 26.982 1.00 0.00 N ATOM 532 CA ARG B 39 19.408 4.660 27.874 1.00 0.00 C ATOM 533 C ARG B 39 20.334 3.985 28.887 1.00 0.00 C ATOM 534 O ARG B 39 19.988 2.950 29.457 1.00 0.00 O ATOM 535 CB ARG B 39 18.319 5.430 28.623 1.00 0.00 C ATOM 536 CG ARG B 39 18.875 6.724 29.220 1.00 0.00 C ATOM 537 CD ARG B 39 17.841 7.400 30.123 1.00 0.00 C ATOM 538 NE ARG B 39 18.362 7.497 31.505 1.00 0.00 N ATOM 539 CZ ARG B 39 17.972 8.432 32.397 1.00 0.00 C ATOM 540 NH1 ARG B 39 17.053 9.361 32.059 1.00 0.00 N ATOM 541 NH2 ARG B 39 18.504 8.425 33.605 1.00 0.00 N ATOM 0 H ARG B 39 18.577 2.788 27.429 1.00 0.00 H new ATOM 0 HA ARG B 39 19.979 5.361 27.265 1.00 0.00 H new ATOM 0 HB2 ARG B 39 17.499 5.662 27.943 1.00 0.00 H new ATOM 0 HB3 ARG B 39 17.908 4.806 29.417 1.00 0.00 H new ATOM 0 HG2 ARG B 39 19.776 6.506 29.793 1.00 0.00 H new ATOM 0 HG3 ARG B 39 19.163 7.404 28.418 1.00 0.00 H new ATOM 0 HD2 ARG B 39 17.609 8.395 29.743 1.00 0.00 H new ATOM 0 HD3 ARG B 39 16.912 6.831 30.115 1.00 0.00 H new ATOM 0 HE ARG B 39 19.059 6.815 31.802 1.00 0.00 H new ATOM 0 HH11 ARG B 39 16.647 9.360 31.123 1.00 0.00 H new ATOM 0 HH12 ARG B 39 16.764 10.064 32.739 1.00 0.00 H new ATOM 0 HH21 ARG B 39 19.199 7.720 33.852 1.00 0.00 H new ATOM 0 HH22 ARG B 39 18.221 9.124 34.291 1.00 0.00 H new ATOM 554 N ILE B 40 21.493 4.597 29.081 1.00 0.00 N ATOM 555 CA ILE B 40 22.471 4.068 30.016 1.00 0.00 C ATOM 556 C ILE B 40 23.290 5.222 30.598 1.00 0.00 C ATOM 557 O ILE B 40 23.355 6.300 30.010 1.00 0.00 O ATOM 558 CB ILE B 40 23.322 2.986 29.347 1.00 0.00 C ATOM 559 CG1 ILE B 40 22.584 1.646 29.323 1.00 0.00 C ATOM 560 CG2 ILE B 40 24.693 2.874 30.016 1.00 0.00 C ATOM 561 CD1 ILE B 40 23.496 0.510 29.792 1.00 0.00 C ATOM 0 H ILE B 40 21.777 5.454 28.607 1.00 0.00 H new ATOM 0 HA ILE B 40 21.972 3.577 30.852 1.00 0.00 H new ATOM 0 HB ILE B 40 23.493 3.278 28.311 1.00 0.00 H new ATOM 0 HG12 ILE B 40 21.704 1.700 29.964 1.00 0.00 H new ATOM 0 HG13 ILE B 40 22.230 1.440 28.313 1.00 0.00 H new ATOM 0 HG21 ILE B 40 25.277 2.098 29.521 1.00 0.00 H new ATOM 0 HG22 ILE B 40 25.215 3.827 29.937 1.00 0.00 H new ATOM 0 HG23 ILE B 40 24.565 2.617 31.067 1.00 0.00 H new ATOM 0 HD11 ILE B 40 22.947 -0.432 29.766 1.00 0.00 H new ATOM 0 HD12 ILE B 40 24.362 0.444 29.134 1.00 0.00 H new ATOM 0 HD13 ILE B 40 23.829 0.708 30.811 1.00 0.00 H new ATOM 573 N ARG B 41 23.896 4.956 31.746 1.00 0.00 N ATOM 574 CA ARG B 41 24.708 5.958 32.414 1.00 0.00 C ATOM 575 C ARG B 41 23.897 7.236 32.636 1.00 0.00 C ATOM 576 O ARG B 41 23.341 7.444 33.714 1.00 0.00 O ATOM 577 CB ARG B 41 25.956 6.291 31.594 1.00 0.00 C ATOM 578 CG ARG B 41 26.942 5.121 31.598 1.00 0.00 C ATOM 579 CD ARG B 41 27.813 5.143 32.856 1.00 0.00 C ATOM 580 NE ARG B 41 29.143 5.711 32.541 1.00 0.00 N ATOM 581 CZ ARG B 41 30.119 5.904 33.454 1.00 0.00 C ATOM 582 NH1 ARG B 41 29.921 5.576 34.749 1.00 0.00 N ATOM 583 NH2 ARG B 41 31.269 6.419 33.062 1.00 0.00 N ATOM 0 H ARG B 41 23.841 4.060 32.230 1.00 0.00 H new ATOM 0 HA ARG B 41 25.017 5.548 33.375 1.00 0.00 H new ATOM 0 HB2 ARG B 41 25.670 6.527 30.569 1.00 0.00 H new ATOM 0 HB3 ARG B 41 26.438 7.179 32.003 1.00 0.00 H new ATOM 0 HG2 ARG B 41 26.395 4.180 31.546 1.00 0.00 H new ATOM 0 HG3 ARG B 41 27.575 5.171 30.712 1.00 0.00 H new ATOM 0 HD2 ARG B 41 27.330 5.736 33.632 1.00 0.00 H new ATOM 0 HD3 ARG B 41 27.924 4.132 33.249 1.00 0.00 H new ATOM 0 HE ARG B 41 29.334 5.973 31.574 1.00 0.00 H new ATOM 0 HH11 ARG B 41 29.029 5.179 35.044 1.00 0.00 H new ATOM 0 HH12 ARG B 41 30.664 5.725 35.432 1.00 0.00 H new ATOM 0 HH21 ARG B 41 31.410 6.665 32.082 1.00 0.00 H new ATOM 0 HH22 ARG B 41 32.017 6.571 33.739 1.00 0.00 H new ATOM 596 N GLY B 42 23.854 8.060 31.599 1.00 0.00 N ATOM 597 CA GLY B 42 23.120 9.312 31.668 1.00 0.00 C ATOM 598 C GLY B 42 22.890 9.890 30.270 1.00 0.00 C ATOM 599 O GLY B 42 22.765 11.103 30.109 1.00 0.00 O ATOM 0 H GLY B 42 24.316 7.885 30.706 1.00 0.00 H new ATOM 0 HA2 GLY B 42 22.161 9.149 32.160 1.00 0.00 H new ATOM 0 HA3 GLY B 42 23.673 10.029 32.275 1.00 0.00 H new ATOM 603 N VAL B 43 22.841 8.995 29.295 1.00 0.00 N ATOM 604 CA VAL B 43 22.628 9.400 27.916 1.00 0.00 C ATOM 605 C VAL B 43 21.553 8.511 27.288 1.00 0.00 C ATOM 606 O VAL B 43 21.666 7.286 27.307 1.00 0.00 O ATOM 607 CB VAL B 43 23.952 9.370 27.151 1.00 0.00 C ATOM 608 CG1 VAL B 43 23.970 10.425 26.043 1.00 0.00 C ATOM 609 CG2 VAL B 43 25.138 9.551 28.101 1.00 0.00 C ATOM 0 H VAL B 43 22.945 7.990 29.433 1.00 0.00 H new ATOM 0 HA VAL B 43 22.266 10.427 27.871 1.00 0.00 H new ATOM 0 HB VAL B 43 24.045 8.391 26.681 1.00 0.00 H new ATOM 0 HG11 VAL B 43 24.923 10.382 25.515 1.00 0.00 H new ATOM 0 HG12 VAL B 43 23.158 10.231 25.343 1.00 0.00 H new ATOM 0 HG13 VAL B 43 23.842 11.415 26.481 1.00 0.00 H new ATOM 0 HG21 VAL B 43 26.067 9.526 27.532 1.00 0.00 H new ATOM 0 HG22 VAL B 43 25.052 10.510 28.612 1.00 0.00 H new ATOM 0 HG23 VAL B 43 25.141 8.747 28.836 1.00 0.00 H new ATOM 619 N LEU B 44 20.535 9.162 26.744 1.00 0.00 N ATOM 620 CA LEU B 44 19.441 8.445 26.111 1.00 0.00 C ATOM 621 C LEU B 44 19.635 8.465 24.593 1.00 0.00 C ATOM 622 O LEU B 44 19.613 9.528 23.975 1.00 0.00 O ATOM 623 CB LEU B 44 18.095 9.012 26.566 1.00 0.00 C ATOM 624 CG LEU B 44 16.951 8.918 25.554 1.00 0.00 C ATOM 625 CD1 LEU B 44 16.647 7.461 25.203 1.00 0.00 C ATOM 626 CD2 LEU B 44 15.710 9.657 26.059 1.00 0.00 C ATOM 0 H LEU B 44 20.445 10.178 26.729 1.00 0.00 H new ATOM 0 HA LEU B 44 19.441 7.400 26.419 1.00 0.00 H new ATOM 0 HB2 LEU B 44 17.793 8.492 27.475 1.00 0.00 H new ATOM 0 HB3 LEU B 44 18.235 10.060 26.830 1.00 0.00 H new ATOM 0 HG LEU B 44 17.267 9.411 24.635 1.00 0.00 H new ATOM 0 HD11 LEU B 44 15.830 7.423 24.482 1.00 0.00 H new ATOM 0 HD12 LEU B 44 17.534 6.998 24.771 1.00 0.00 H new ATOM 0 HD13 LEU B 44 16.360 6.922 26.106 1.00 0.00 H new ATOM 0 HD21 LEU B 44 14.912 9.575 25.321 1.00 0.00 H new ATOM 0 HD22 LEU B 44 15.381 9.215 27.000 1.00 0.00 H new ATOM 0 HD23 LEU B 44 15.951 10.708 26.216 1.00 0.00 H new ATOM 638 N VAL B 45 19.821 7.277 24.037 1.00 0.00 N ATOM 639 CA VAL B 45 20.018 7.145 22.603 1.00 0.00 C ATOM 640 C VAL B 45 18.700 6.730 21.947 1.00 0.00 C ATOM 641 O VAL B 45 18.322 5.560 21.991 1.00 0.00 O ATOM 642 CB VAL B 45 21.161 6.167 22.321 1.00 0.00 C ATOM 643 CG1 VAL B 45 21.729 6.379 20.917 1.00 0.00 C ATOM 644 CG2 VAL B 45 22.258 6.284 23.381 1.00 0.00 C ATOM 0 H VAL B 45 19.839 6.397 24.553 1.00 0.00 H new ATOM 0 HA VAL B 45 20.310 8.101 22.167 1.00 0.00 H new ATOM 0 HB VAL B 45 20.757 5.156 22.369 1.00 0.00 H new ATOM 0 HG11 VAL B 45 22.540 5.672 20.742 1.00 0.00 H new ATOM 0 HG12 VAL B 45 20.943 6.220 20.179 1.00 0.00 H new ATOM 0 HG13 VAL B 45 22.110 7.396 20.828 1.00 0.00 H new ATOM 0 HG21 VAL B 45 23.058 5.578 23.156 1.00 0.00 H new ATOM 0 HG22 VAL B 45 22.658 7.298 23.380 1.00 0.00 H new ATOM 0 HG23 VAL B 45 21.841 6.059 24.363 1.00 0.00 H new ATOM 654 N ARG B 46 18.037 7.711 21.354 1.00 0.00 N ATOM 655 CA ARG B 46 16.768 7.463 20.690 1.00 0.00 C ATOM 656 C ARG B 46 16.964 7.419 19.173 1.00 0.00 C ATOM 657 O ARG B 46 17.834 8.103 18.635 1.00 0.00 O ATOM 658 CB ARG B 46 15.745 8.546 21.034 1.00 0.00 C ATOM 659 CG ARG B 46 15.904 9.011 22.483 1.00 0.00 C ATOM 660 CD ARG B 46 15.020 10.226 22.770 1.00 0.00 C ATOM 661 NE ARG B 46 15.795 11.255 23.498 1.00 0.00 N ATOM 662 CZ ARG B 46 15.262 12.391 23.998 1.00 0.00 C ATOM 663 NH1 ARG B 46 13.946 12.652 23.853 1.00 0.00 N ATOM 664 NH2 ARG B 46 16.048 13.242 24.631 1.00 0.00 N ATOM 0 H ARG B 46 18.354 8.680 21.319 1.00 0.00 H new ATOM 0 HA ARG B 46 16.392 6.501 21.040 1.00 0.00 H new ATOM 0 HB2 ARG B 46 15.868 9.394 20.361 1.00 0.00 H new ATOM 0 HB3 ARG B 46 14.737 8.161 20.881 1.00 0.00 H new ATOM 0 HG2 ARG B 46 15.642 8.198 23.160 1.00 0.00 H new ATOM 0 HG3 ARG B 46 16.947 9.262 22.675 1.00 0.00 H new ATOM 0 HD2 ARG B 46 14.640 10.639 21.835 1.00 0.00 H new ATOM 0 HD3 ARG B 46 14.155 9.925 23.361 1.00 0.00 H new ATOM 0 HE ARG B 46 16.794 11.097 23.631 1.00 0.00 H new ATOM 0 HH11 ARG B 46 13.346 11.989 23.363 1.00 0.00 H new ATOM 0 HH12 ARG B 46 13.552 13.512 24.234 1.00 0.00 H new ATOM 0 HH21 ARG B 46 17.042 13.037 24.736 1.00 0.00 H new ATOM 0 HH22 ARG B 46 15.662 14.105 25.015 1.00 0.00 H new ATOM 677 N TYR B 47 16.139 6.609 18.525 1.00 0.00 N ATOM 678 CA TYR B 47 16.210 6.467 17.081 1.00 0.00 C ATOM 679 C TYR B 47 14.811 6.390 16.468 1.00 0.00 C ATOM 680 O TYR B 47 13.951 5.664 16.964 1.00 0.00 O ATOM 681 CB TYR B 47 16.941 5.148 16.822 1.00 0.00 C ATOM 682 CG TYR B 47 17.141 4.828 15.339 1.00 0.00 C ATOM 683 CD1 TYR B 47 17.177 5.850 14.412 1.00 0.00 C ATOM 684 CD2 TYR B 47 17.286 3.518 14.929 1.00 0.00 C ATOM 685 CE1 TYR B 47 17.366 5.549 13.016 1.00 0.00 C ATOM 686 CE2 TYR B 47 17.475 3.218 13.534 1.00 0.00 C ATOM 687 CZ TYR B 47 17.506 4.248 12.646 1.00 0.00 C ATOM 688 OH TYR B 47 17.684 3.963 11.328 1.00 0.00 O ATOM 0 H TYR B 47 15.418 6.044 18.974 1.00 0.00 H new ATOM 0 HA TYR B 47 16.720 7.322 16.636 1.00 0.00 H new ATOM 0 HB2 TYR B 47 17.915 5.182 17.310 1.00 0.00 H new ATOM 0 HB3 TYR B 47 16.380 4.337 17.286 1.00 0.00 H new ATOM 0 HD1 TYR B 47 17.064 6.875 14.733 1.00 0.00 H new ATOM 0 HD2 TYR B 47 17.258 2.719 15.655 1.00 0.00 H new ATOM 0 HE1 TYR B 47 17.396 6.339 12.280 1.00 0.00 H new ATOM 0 HE2 TYR B 47 17.590 2.197 13.200 1.00 0.00 H new ATOM 0 HH TYR B 47 17.770 2.994 11.212 1.00 0.00 H new ATOM 698 N ARG B 48 14.625 7.149 15.398 1.00 0.00 N ATOM 699 CA ARG B 48 13.345 7.176 14.712 1.00 0.00 C ATOM 700 C ARG B 48 13.545 7.482 13.226 1.00 0.00 C ATOM 701 O ARG B 48 13.945 8.588 12.865 1.00 0.00 O ATOM 702 CB ARG B 48 12.415 8.228 15.322 1.00 0.00 C ATOM 703 CG ARG B 48 13.138 9.565 15.492 1.00 0.00 C ATOM 704 CD ARG B 48 12.567 10.350 16.675 1.00 0.00 C ATOM 705 NE ARG B 48 12.563 11.798 16.367 1.00 0.00 N ATOM 706 CZ ARG B 48 11.558 12.433 15.728 1.00 0.00 C ATOM 707 NH1 ARG B 48 10.465 11.751 15.322 1.00 0.00 N ATOM 708 NH2 ARG B 48 11.659 13.730 15.505 1.00 0.00 N ATOM 0 H ARG B 48 15.340 7.750 14.989 1.00 0.00 H new ATOM 0 HA ARG B 48 12.887 6.193 14.825 1.00 0.00 H new ATOM 0 HB2 ARG B 48 11.542 8.361 14.683 1.00 0.00 H new ATOM 0 HB3 ARG B 48 12.052 7.881 16.289 1.00 0.00 H new ATOM 0 HG2 ARG B 48 14.203 9.390 15.647 1.00 0.00 H new ATOM 0 HG3 ARG B 48 13.041 10.154 14.580 1.00 0.00 H new ATOM 0 HD2 ARG B 48 11.553 10.013 16.890 1.00 0.00 H new ATOM 0 HD3 ARG B 48 13.162 10.161 17.568 1.00 0.00 H new ATOM 0 HE ARG B 48 13.370 12.350 16.656 1.00 0.00 H new ATOM 0 HH11 ARG B 48 10.395 10.749 15.498 1.00 0.00 H new ATOM 0 HH12 ARG B 48 9.710 12.238 14.840 1.00 0.00 H new ATOM 0 HH21 ARG B 48 12.488 14.238 15.814 1.00 0.00 H new ATOM 0 HH22 ARG B 48 10.908 14.225 15.023 1.00 0.00 H new ATOM 721 N ARG B 49 13.256 6.483 12.405 1.00 0.00 N ATOM 722 CA ARG B 49 13.399 6.632 10.967 1.00 0.00 C ATOM 723 C ARG B 49 12.544 5.593 10.239 1.00 0.00 C ATOM 724 O ARG B 49 12.312 4.501 10.756 1.00 0.00 O ATOM 725 CB ARG B 49 14.859 6.471 10.539 1.00 0.00 C ATOM 726 CG ARG B 49 15.065 6.950 9.101 1.00 0.00 C ATOM 727 CD ARG B 49 14.598 5.892 8.098 1.00 0.00 C ATOM 728 NE ARG B 49 15.719 5.504 7.213 1.00 0.00 N ATOM 729 CZ ARG B 49 16.028 6.137 6.061 1.00 0.00 C ATOM 730 NH1 ARG B 49 15.300 7.195 5.644 1.00 0.00 N ATOM 731 NH2 ARG B 49 17.051 5.704 5.348 1.00 0.00 N ATOM 0 H ARG B 49 12.924 5.568 12.708 1.00 0.00 H new ATOM 0 HA ARG B 49 13.063 7.635 10.702 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.503 7.038 11.211 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.153 5.425 10.623 1.00 0.00 H new ATOM 0 HG2 ARG B 49 14.514 7.877 8.940 1.00 0.00 H new ATOM 0 HG3 ARG B 49 16.119 7.173 8.936 1.00 0.00 H new ATOM 0 HD2 ARG B 49 14.223 5.017 8.628 1.00 0.00 H new ATOM 0 HD3 ARG B 49 13.772 6.282 7.503 1.00 0.00 H new ATOM 0 HE ARG B 49 16.294 4.709 7.491 1.00 0.00 H new ATOM 0 HH11 ARG B 49 14.510 7.522 6.200 1.00 0.00 H new ATOM 0 HH12 ARG B 49 15.540 7.668 4.773 1.00 0.00 H new ATOM 0 HH21 ARG B 49 17.594 4.903 5.670 1.00 0.00 H new ATOM 0 HH22 ARG B 49 17.298 6.170 4.475 1.00 0.00 H new ATOM 744 N CYS B 50 12.099 5.969 9.049 1.00 0.00 N ATOM 745 CA CYS B 50 11.275 5.083 8.244 1.00 0.00 C ATOM 746 C CYS B 50 11.580 5.351 6.769 1.00 0.00 C ATOM 747 O CYS B 50 11.712 6.503 6.358 1.00 0.00 O ATOM 748 CB CYS B 50 9.787 5.254 8.558 1.00 0.00 C ATOM 749 SG CYS B 50 9.342 5.016 10.317 1.00 0.00 S ATOM 0 H CYS B 50 12.293 6.875 8.623 1.00 0.00 H new ATOM 0 HA CYS B 50 11.513 4.046 8.481 1.00 0.00 H new ATOM 0 HB2 CYS B 50 9.478 6.253 8.252 1.00 0.00 H new ATOM 0 HB3 CYS B 50 9.219 4.546 7.955 1.00 0.00 H new ATOM 754 N TRP B 51 11.685 4.268 6.013 1.00 0.00 N ATOM 755 CA TRP B 51 11.973 4.371 4.593 1.00 0.00 C ATOM 756 C TRP B 51 11.320 3.179 3.890 1.00 0.00 C ATOM 757 O TRP B 51 11.972 2.164 3.649 1.00 0.00 O ATOM 758 CB TRP B 51 13.480 4.461 4.344 1.00 0.00 C ATOM 759 CG TRP B 51 13.925 3.873 3.003 1.00 0.00 C ATOM 760 CD1 TRP B 51 13.944 4.474 1.805 1.00 0.00 C ATOM 761 CD2 TRP B 51 14.418 2.537 2.771 1.00 0.00 C ATOM 762 NE1 TRP B 51 14.411 3.625 0.822 1.00 0.00 N ATOM 763 CE2 TRP B 51 14.708 2.410 1.428 1.00 0.00 C ATOM 764 CE3 TRP B 51 14.611 1.470 3.666 1.00 0.00 C ATOM 765 CZ2 TRP B 51 15.210 1.233 0.860 1.00 0.00 C ATOM 766 CZ3 TRP B 51 15.113 0.301 3.083 1.00 0.00 C ATOM 767 CH2 TRP B 51 15.411 0.157 1.733 1.00 0.00 C ATOM 0 H TRP B 51 11.576 3.314 6.358 1.00 0.00 H new ATOM 0 HA TRP B 51 11.555 5.289 4.180 1.00 0.00 H new ATOM 0 HB2 TRP B 51 13.784 5.507 4.389 1.00 0.00 H new ATOM 0 HB3 TRP B 51 14.002 3.942 5.148 1.00 0.00 H new ATOM 0 HD1 TRP B 51 13.633 5.494 1.631 1.00 0.00 H new ATOM 0 HE1 TRP B 51 14.518 3.848 -0.167 1.00 0.00 H new ATOM 0 HE3 TRP B 51 14.389 1.547 4.720 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 15.430 1.159 -0.195 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 15.281 -0.549 3.727 1.00 0.00 H new ATOM 0 HH2 TRP B 51 15.796 -0.780 1.359 1.00 0.00 H new TER 778 TRP B 51