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+ -122:sc= 0.0999 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -30:sc= -3.14! USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 TYR OH : rot 180:sc= -1.05! USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 10.020 -7.011 1.774 1.00 0.00 N ATOM 2 CA ARG A 1 8.800 -6.426 2.306 1.00 0.00 C ATOM 3 C ARG A 1 9.135 -5.300 3.286 1.00 0.00 C ATOM 4 O ARG A 1 10.305 -4.998 3.514 1.00 0.00 O ATOM 5 CB ARG A 1 7.951 -7.479 3.020 1.00 0.00 C ATOM 6 CG ARG A 1 7.189 -8.344 2.014 1.00 0.00 C ATOM 7 CD ARG A 1 5.687 -8.057 2.070 1.00 0.00 C ATOM 8 NE ARG A 1 4.997 -9.123 2.830 1.00 0.00 N ATOM 9 CZ ARG A 1 3.693 -9.440 2.676 1.00 0.00 C ATOM 10 NH1 ARG A 1 2.927 -8.773 1.787 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.180 -10.411 3.409 1.00 0.00 N ATOM 0 H1 ARG A 1 10.019 -6.933 0.737 1.00 0.00 H new ATOM 0 H2 ARG A 1 10.844 -6.505 2.158 1.00 0.00 H new ATOM 0 H3 ARG A 1 10.072 -8.013 2.046 1.00 0.00 H new ATOM 0 HA ARG A 1 8.231 -6.025 1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 1 8.591 -8.110 3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 1 7.246 -6.989 3.691 1.00 0.00 H new ATOM 0 HG2 ARG A 1 7.562 -8.152 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 1 7.369 -9.398 2.225 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.510 -7.090 2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.282 -7.998 1.060 1.00 0.00 H new ATOM 0 HE ARG A 1 5.540 -9.651 3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 1 3.332 -8.024 1.226 1.00 0.00 H new ATOM 0 HH12 ARG A 1 1.943 -9.018 1.676 1.00 0.00 H new ATOM 0 HH21 ARG A 1 3.767 -10.909 4.079 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.197 -10.663 3.306 1.00 0.00 H new ATOM 24 N TRP A 2 8.086 -4.709 3.839 1.00 0.00 N ATOM 25 CA TRP A 2 8.254 -3.623 4.790 1.00 0.00 C ATOM 26 C TRP A 2 8.183 -4.213 6.199 1.00 0.00 C ATOM 27 O TRP A 2 7.212 -4.883 6.547 1.00 0.00 O ATOM 28 CB TRP A 2 7.221 -2.520 4.550 1.00 0.00 C ATOM 29 CG TRP A 2 6.771 -2.394 3.093 1.00 0.00 C ATOM 30 CD1 TRP A 2 5.546 -2.109 2.630 1.00 0.00 C ATOM 31 CD2 TRP A 2 7.596 -2.563 1.921 1.00 0.00 C ATOM 32 NE1 TRP A 2 5.522 -2.081 1.250 1.00 0.00 N ATOM 33 CE2 TRP A 2 6.808 -2.366 0.806 1.00 0.00 C ATOM 34 CE3 TRP A 2 8.963 -2.872 1.807 1.00 0.00 C ATOM 35 CZ2 TRP A 2 7.296 -2.455 -0.504 1.00 0.00 C ATOM 36 CZ3 TRP A 2 9.435 -2.958 0.492 1.00 0.00 C ATOM 37 CH2 TRP A 2 8.655 -2.762 -0.641 1.00 0.00 C ATOM 0 H TRP A 2 7.117 -4.962 3.647 1.00 0.00 H new ATOM 0 HA TRP A 2 9.225 -3.145 4.662 1.00 0.00 H new ATOM 0 HB2 TRP A 2 6.348 -2.712 5.174 1.00 0.00 H new ATOM 0 HB3 TRP A 2 7.640 -1.567 4.874 1.00 0.00 H new ATOM 0 HD1 TRP A 2 4.686 -1.925 3.257 1.00 0.00 H new ATOM 0 HE1 TRP A 2 4.710 -1.887 0.664 1.00 0.00 H new ATOM 0 HE3 TRP A 2 9.598 -3.030 2.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 6.659 -2.296 -1.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 10.479 -3.193 0.348 1.00 0.00 H new ATOM 0 HH2 TRP A 2 9.095 -2.846 -1.624 1.00 0.00 H new ATOM 48 N CYS A 3 9.224 -3.942 6.973 1.00 0.00 N ATOM 49 CA CYS A 3 9.292 -4.438 8.337 1.00 0.00 C ATOM 50 C CYS A 3 9.523 -3.247 9.270 1.00 0.00 C ATOM 51 O CYS A 3 9.778 -2.135 8.811 1.00 0.00 O ATOM 52 CB CYS A 3 10.375 -5.507 8.497 1.00 0.00 C ATOM 53 SG CYS A 3 9.808 -7.223 8.207 1.00 0.00 S ATOM 0 H CYS A 3 10.027 -3.385 6.681 1.00 0.00 H new ATOM 0 HA CYS A 3 8.352 -4.925 8.597 1.00 0.00 H new ATOM 0 HB2 CYS A 3 11.189 -5.286 7.806 1.00 0.00 H new ATOM 0 HB3 CYS A 3 10.786 -5.440 9.504 1.00 0.00 H new ATOM 58 N VAL A 4 9.424 -3.522 10.562 1.00 0.00 N ATOM 59 CA VAL A 4 9.619 -2.487 11.564 1.00 0.00 C ATOM 60 C VAL A 4 10.182 -3.117 12.839 1.00 0.00 C ATOM 61 O VAL A 4 9.610 -4.068 13.371 1.00 0.00 O ATOM 62 CB VAL A 4 8.309 -1.732 11.798 1.00 0.00 C ATOM 63 CG1 VAL A 4 7.524 -1.579 10.494 1.00 0.00 C ATOM 64 CG2 VAL A 4 7.463 -2.422 12.870 1.00 0.00 C ATOM 0 H VAL A 4 9.211 -4.446 10.938 1.00 0.00 H new ATOM 0 HA VAL A 4 10.345 -1.752 11.217 1.00 0.00 H new ATOM 0 HB VAL A 4 8.557 -0.734 12.158 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.597 -1.039 10.688 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.123 -1.024 9.772 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.292 -2.565 10.091 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.537 -1.865 13.017 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.229 -3.438 12.551 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.019 -2.455 13.807 1.00 0.00 H new ATOM 74 N TYR A 5 11.296 -2.562 13.293 1.00 0.00 N ATOM 75 CA TYR A 5 11.942 -3.058 14.497 1.00 0.00 C ATOM 76 C TYR A 5 12.022 -1.967 15.566 1.00 0.00 C ATOM 77 O TYR A 5 12.281 -0.806 15.254 1.00 0.00 O ATOM 78 CB TYR A 5 13.361 -3.453 14.081 1.00 0.00 C ATOM 79 CG TYR A 5 13.490 -4.902 13.606 1.00 0.00 C ATOM 80 CD1 TYR A 5 12.841 -5.912 14.287 1.00 0.00 C ATOM 81 CD2 TYR A 5 14.255 -5.199 12.496 1.00 0.00 C ATOM 82 CE1 TYR A 5 12.963 -7.275 13.840 1.00 0.00 C ATOM 83 CE2 TYR A 5 14.376 -6.562 12.049 1.00 0.00 C ATOM 84 CZ TYR A 5 13.724 -7.533 12.743 1.00 0.00 C ATOM 85 OH TYR A 5 13.839 -8.821 12.321 1.00 0.00 O ATOM 0 H TYR A 5 11.768 -1.774 12.849 1.00 0.00 H new ATOM 0 HA TYR A 5 11.381 -3.893 14.917 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.693 -2.789 13.283 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.033 -3.297 14.925 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.242 -5.680 15.155 1.00 0.00 H new ATOM 0 HD2 TYR A 5 14.763 -4.409 11.963 1.00 0.00 H new ATOM 0 HE1 TYR A 5 12.461 -8.075 14.364 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.971 -6.808 11.182 1.00 0.00 H new ATOM 0 HH TYR A 5 14.412 -8.855 11.526 1.00 0.00 H new ATOM 95 N ALA A 6 11.795 -2.379 16.804 1.00 0.00 N ATOM 96 CA ALA A 6 11.838 -1.451 17.922 1.00 0.00 C ATOM 97 C ALA A 6 12.567 -2.106 19.096 1.00 0.00 C ATOM 98 O ALA A 6 12.425 -3.306 19.328 1.00 0.00 O ATOM 99 CB ALA A 6 10.415 -1.022 18.285 1.00 0.00 C ATOM 0 H ALA A 6 11.581 -3.343 17.058 1.00 0.00 H new ATOM 0 HA ALA A 6 12.391 -0.551 17.652 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.447 -0.326 19.123 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.952 -0.535 17.427 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.831 -1.899 18.564 1.00 0.00 H new ATOM 105 N TYR A 7 13.333 -1.290 19.806 1.00 0.00 N ATOM 106 CA TYR A 7 14.084 -1.776 20.950 1.00 0.00 C ATOM 107 C TYR A 7 14.200 -0.697 22.029 1.00 0.00 C ATOM 108 O TYR A 7 14.880 0.310 21.834 1.00 0.00 O ATOM 109 CB TYR A 7 15.483 -2.108 20.426 1.00 0.00 C ATOM 110 CG TYR A 7 16.413 -2.716 21.478 1.00 0.00 C ATOM 111 CD1 TYR A 7 16.835 -1.955 22.549 1.00 0.00 C ATOM 112 CD2 TYR A 7 16.830 -4.026 21.356 1.00 0.00 C ATOM 113 CE1 TYR A 7 17.711 -2.527 23.539 1.00 0.00 C ATOM 114 CE2 TYR A 7 17.706 -4.598 22.345 1.00 0.00 C ATOM 115 CZ TYR A 7 18.103 -3.821 23.388 1.00 0.00 C ATOM 116 OH TYR A 7 18.930 -4.361 24.323 1.00 0.00 O ATOM 0 H TYR A 7 13.449 -0.296 19.611 1.00 0.00 H new ATOM 0 HA TYR A 7 13.588 -2.638 21.396 1.00 0.00 H new ATOM 0 HB2 TYR A 7 15.392 -2.803 19.591 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.939 -1.198 20.035 1.00 0.00 H new ATOM 0 HD1 TYR A 7 16.508 -0.930 22.645 1.00 0.00 H new ATOM 0 HD2 TYR A 7 16.499 -4.622 20.518 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.049 -1.942 24.382 1.00 0.00 H new ATOM 0 HE2 TYR A 7 18.040 -5.621 22.260 1.00 0.00 H new ATOM 0 HH TYR A 7 19.498 -3.658 24.703 1.00 0.00 H new ATOM 126 N VAL A 8 13.525 -0.943 23.142 1.00 0.00 N ATOM 127 CA VAL A 8 13.543 -0.004 24.251 1.00 0.00 C ATOM 128 C VAL A 8 14.230 -0.655 25.453 1.00 0.00 C ATOM 129 O VAL A 8 13.921 -1.791 25.809 1.00 0.00 O ATOM 130 CB VAL A 8 12.121 0.469 24.560 1.00 0.00 C ATOM 131 CG1 VAL A 8 12.133 1.625 25.562 1.00 0.00 C ATOM 132 CG2 VAL A 8 11.384 0.862 23.278 1.00 0.00 C ATOM 0 H VAL A 8 12.962 -1.779 23.300 1.00 0.00 H new ATOM 0 HA VAL A 8 14.117 0.885 23.989 1.00 0.00 H new ATOM 0 HB VAL A 8 11.583 -0.362 25.015 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.110 1.942 25.764 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.601 1.297 26.490 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.696 2.461 25.147 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.376 1.194 23.525 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.921 1.671 22.783 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.329 0.001 22.612 1.00 0.00 H new ATOM 142 N ARG A 9 15.150 0.093 26.044 1.00 0.00 N ATOM 143 CA ARG A 9 15.884 -0.397 27.199 1.00 0.00 C ATOM 144 C ARG A 9 16.238 0.761 28.134 1.00 0.00 C ATOM 145 O ARG A 9 16.974 1.669 27.752 1.00 0.00 O ATOM 146 CB ARG A 9 17.169 -1.110 26.773 1.00 0.00 C ATOM 147 CG ARG A 9 18.187 -1.133 27.914 1.00 0.00 C ATOM 148 CD ARG A 9 19.368 -2.046 27.577 1.00 0.00 C ATOM 149 NE ARG A 9 20.625 -1.265 27.568 1.00 0.00 N ATOM 150 CZ ARG A 9 21.858 -1.815 27.554 1.00 0.00 C ATOM 151 NH1 ARG A 9 22.010 -3.157 27.548 1.00 0.00 N ATOM 152 NH2 ARG A 9 22.913 -1.022 27.547 1.00 0.00 N ATOM 0 H ARG A 9 15.404 1.035 25.745 1.00 0.00 H new ATOM 0 HA ARG A 9 15.243 -1.107 27.721 1.00 0.00 H new ATOM 0 HB2 ARG A 9 16.938 -2.130 26.466 1.00 0.00 H new ATOM 0 HB3 ARG A 9 17.599 -0.606 25.907 1.00 0.00 H new ATOM 0 HG2 ARG A 9 18.547 -0.122 28.105 1.00 0.00 H new ATOM 0 HG3 ARG A 9 17.705 -1.478 28.829 1.00 0.00 H new ATOM 0 HD2 ARG A 9 19.436 -2.851 28.308 1.00 0.00 H new ATOM 0 HD3 ARG A 9 19.212 -2.511 26.604 1.00 0.00 H new ATOM 0 HE ARG A 9 20.556 -0.247 27.573 1.00 0.00 H new ATOM 0 HH11 ARG A 9 21.190 -3.763 27.554 1.00 0.00 H new ATOM 0 HH12 ARG A 9 22.945 -3.564 27.537 1.00 0.00 H new ATOM 0 HH21 ARG A 9 22.790 -0.009 27.552 1.00 0.00 H new ATOM 0 HH22 ARG A 9 23.851 -1.422 27.536 1.00 0.00 H new ATOM 165 N ILE A 10 15.696 0.692 29.341 1.00 0.00 N ATOM 166 CA ILE A 10 15.945 1.723 30.333 1.00 0.00 C ATOM 167 C ILE A 10 15.876 1.107 31.732 1.00 0.00 C ATOM 168 O ILE A 10 15.197 0.102 31.938 1.00 0.00 O ATOM 169 CB ILE A 10 14.990 2.902 30.133 1.00 0.00 C ATOM 170 CG1 ILE A 10 14.570 3.023 28.667 1.00 0.00 C ATOM 171 CG2 ILE A 10 15.602 4.200 30.663 1.00 0.00 C ATOM 172 CD1 ILE A 10 13.543 4.142 28.482 1.00 0.00 C ATOM 0 H ILE A 10 15.085 -0.062 29.654 1.00 0.00 H new ATOM 0 HA ILE A 10 16.948 2.131 30.213 1.00 0.00 H new ATOM 0 HB ILE A 10 14.087 2.713 30.713 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.446 3.222 28.049 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.148 2.077 28.326 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.903 5.022 30.508 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.810 4.096 31.728 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.530 4.408 30.131 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.261 4.207 27.431 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.659 3.927 29.082 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.976 5.090 28.801 1.00 0.00 H new ATOM 184 N ARG A 11 16.587 1.735 32.657 1.00 0.00 N ATOM 185 CA ARG A 11 16.615 1.260 34.030 1.00 0.00 C ATOM 186 C ARG A 11 17.161 -0.168 34.087 1.00 0.00 C ATOM 187 O ARG A 11 18.343 -0.374 34.358 1.00 0.00 O ATOM 188 CB ARG A 11 15.217 1.290 34.651 1.00 0.00 C ATOM 189 CG ARG A 11 14.914 2.663 35.254 1.00 0.00 C ATOM 190 CD ARG A 11 13.859 3.403 34.430 1.00 0.00 C ATOM 191 NE ARG A 11 13.081 4.311 35.301 1.00 0.00 N ATOM 192 CZ ARG A 11 11.823 4.723 35.034 1.00 0.00 C ATOM 193 NH1 ARG A 11 11.191 4.311 33.915 1.00 0.00 N ATOM 194 NH2 ARG A 11 11.222 5.535 35.883 1.00 0.00 N ATOM 0 H ARG A 11 17.148 2.569 32.483 1.00 0.00 H new ATOM 0 HA ARG A 11 17.267 1.924 34.598 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.473 1.050 33.892 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.142 0.525 35.424 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.563 2.544 36.279 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.828 3.255 35.297 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.340 3.972 33.635 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.192 2.687 33.950 1.00 0.00 H new ATOM 0 HE ARG A 11 13.522 4.647 36.157 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.664 3.684 33.264 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.241 4.627 33.720 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.708 5.842 36.726 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.272 5.856 35.696 1.00 0.00 H new ATOM 207 N GLY A 12 16.274 -1.117 33.827 1.00 0.00 N ATOM 208 CA GLY A 12 16.653 -2.520 33.846 1.00 0.00 C ATOM 209 C GLY A 12 15.625 -3.375 33.102 1.00 0.00 C ATOM 210 O GLY A 12 15.473 -4.561 33.391 1.00 0.00 O ATOM 0 H GLY A 12 15.295 -0.942 33.602 1.00 0.00 H new ATOM 0 HA2 GLY A 12 17.634 -2.642 33.386 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.739 -2.863 34.877 1.00 0.00 H new ATOM 214 N VAL A 13 14.948 -2.740 32.157 1.00 0.00 N ATOM 215 CA VAL A 13 13.939 -3.427 31.369 1.00 0.00 C ATOM 216 C VAL A 13 14.306 -3.335 29.886 1.00 0.00 C ATOM 217 O VAL A 13 14.961 -2.383 29.464 1.00 0.00 O ATOM 218 CB VAL A 13 12.554 -2.856 31.678 1.00 0.00 C ATOM 219 CG1 VAL A 13 11.482 -3.516 30.809 1.00 0.00 C ATOM 220 CG2 VAL A 13 12.220 -3.002 33.165 1.00 0.00 C ATOM 0 H VAL A 13 15.078 -1.757 31.919 1.00 0.00 H new ATOM 0 HA VAL A 13 13.905 -4.484 31.631 1.00 0.00 H new ATOM 0 HB VAL A 13 12.570 -1.792 31.440 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.507 -3.092 31.049 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.706 -3.338 29.757 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.468 -4.589 31.001 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.230 -2.588 33.358 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.232 -4.057 33.439 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.960 -2.465 33.759 1.00 0.00 H new ATOM 230 N LEU A 14 13.867 -4.336 29.137 1.00 0.00 N ATOM 231 CA LEU A 14 14.142 -4.379 27.711 1.00 0.00 C ATOM 232 C LEU A 14 12.895 -4.867 26.971 1.00 0.00 C ATOM 233 O LEU A 14 12.488 -6.018 27.125 1.00 0.00 O ATOM 234 CB LEU A 14 15.390 -5.218 27.431 1.00 0.00 C ATOM 235 CG LEU A 14 15.721 -5.456 25.956 1.00 0.00 C ATOM 236 CD1 LEU A 14 15.251 -4.284 25.092 1.00 0.00 C ATOM 237 CD2 LEU A 14 17.212 -5.744 25.768 1.00 0.00 C ATOM 0 H LEU A 14 13.323 -5.123 29.491 1.00 0.00 H new ATOM 0 HA LEU A 14 14.367 -3.381 27.336 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.244 -4.730 27.901 1.00 0.00 H new ATOM 0 HB3 LEU A 14 15.269 -6.186 27.917 1.00 0.00 H new ATOM 0 HG LEU A 14 15.177 -6.340 25.623 1.00 0.00 H new ATOM 0 HD11 LEU A 14 15.499 -4.479 24.049 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.172 -4.167 25.193 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.747 -3.370 25.418 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.420 -5.909 24.711 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.794 -4.894 26.124 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.485 -6.634 26.335 1.00 0.00 H new ATOM 249 N VAL A 15 12.323 -3.968 26.184 1.00 0.00 N ATOM 250 CA VAL A 15 11.130 -4.293 25.420 1.00 0.00 C ATOM 251 C VAL A 15 11.437 -4.165 23.926 1.00 0.00 C ATOM 252 O VAL A 15 11.340 -3.078 23.359 1.00 0.00 O ATOM 253 CB VAL A 15 9.965 -3.409 25.868 1.00 0.00 C ATOM 254 CG1 VAL A 15 8.623 -4.099 25.613 1.00 0.00 C ATOM 255 CG2 VAL A 15 10.108 -3.017 27.340 1.00 0.00 C ATOM 0 H VAL A 15 12.663 -3.015 26.059 1.00 0.00 H new ATOM 0 HA VAL A 15 10.828 -5.324 25.604 1.00 0.00 H new ATOM 0 HB VAL A 15 9.991 -2.496 25.274 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.812 -3.449 25.941 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.516 -4.304 24.548 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.584 -5.036 26.169 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.267 -2.389 27.633 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.121 -3.916 27.956 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.038 -2.467 27.481 1.00 0.00 H new ATOM 265 N ARG A 16 11.801 -5.292 23.331 1.00 0.00 N ATOM 266 CA ARG A 16 12.122 -5.320 21.914 1.00 0.00 C ATOM 267 C ARG A 16 10.865 -5.607 21.091 1.00 0.00 C ATOM 268 O ARG A 16 10.414 -6.749 21.017 1.00 0.00 O ATOM 269 CB ARG A 16 13.177 -6.385 21.610 1.00 0.00 C ATOM 270 CG ARG A 16 14.510 -6.043 22.276 1.00 0.00 C ATOM 271 CD ARG A 16 15.602 -7.030 21.859 1.00 0.00 C ATOM 272 NE ARG A 16 15.002 -8.348 21.551 1.00 0.00 N ATOM 273 CZ ARG A 16 14.760 -9.303 22.473 1.00 0.00 C ATOM 274 NH1 ARG A 16 15.065 -9.095 23.772 1.00 0.00 N ATOM 275 NH2 ARG A 16 14.220 -10.444 22.086 1.00 0.00 N ATOM 0 H ARG A 16 11.881 -6.192 23.804 1.00 0.00 H new ATOM 0 HA ARG A 16 12.521 -4.342 21.644 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.830 -7.357 21.962 1.00 0.00 H new ATOM 0 HB3 ARG A 16 13.316 -6.467 20.532 1.00 0.00 H new ATOM 0 HG2 ARG A 16 14.807 -5.030 22.004 1.00 0.00 H new ATOM 0 HG3 ARG A 16 14.394 -6.060 23.360 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.133 -6.650 20.986 1.00 0.00 H new ATOM 0 HD3 ARG A 16 16.335 -7.133 22.659 1.00 0.00 H new ATOM 0 HE ARG A 16 14.756 -8.547 20.581 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.482 -8.211 24.063 1.00 0.00 H new ATOM 0 HH12 ARG A 16 14.879 -9.822 24.462 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.992 -10.593 21.103 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.031 -11.176 22.770 1.00 0.00 H new ATOM 288 N TYR A 17 10.334 -4.550 20.492 1.00 0.00 N ATOM 289 CA TYR A 17 9.138 -4.674 19.677 1.00 0.00 C ATOM 290 C TYR A 17 9.497 -4.969 18.218 1.00 0.00 C ATOM 291 O TYR A 17 10.583 -4.619 17.760 1.00 0.00 O ATOM 292 CB TYR A 17 8.434 -3.319 19.752 1.00 0.00 C ATOM 293 CG TYR A 17 6.910 -3.401 19.636 1.00 0.00 C ATOM 294 CD1 TYR A 17 6.154 -3.781 20.726 1.00 0.00 C ATOM 295 CD2 TYR A 17 6.292 -3.097 18.440 1.00 0.00 C ATOM 296 CE1 TYR A 17 4.721 -3.859 20.616 1.00 0.00 C ATOM 297 CE2 TYR A 17 4.858 -3.175 18.330 1.00 0.00 C ATOM 298 CZ TYR A 17 4.143 -3.552 19.424 1.00 0.00 C ATOM 299 OH TYR A 17 2.789 -3.626 19.320 1.00 0.00 O ATOM 0 H TYR A 17 10.711 -3.604 20.555 1.00 0.00 H new ATOM 0 HA TYR A 17 8.512 -5.491 20.036 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.691 -2.840 20.697 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.815 -2.679 18.956 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.638 -4.020 21.662 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.884 -2.801 17.587 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.118 -4.155 21.462 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.362 -2.940 17.400 1.00 0.00 H new ATOM 0 HH TYR A 17 2.517 -3.378 18.412 1.00 0.00 H new ATOM 309 N ARG A 18 8.562 -5.608 17.530 1.00 0.00 N ATOM 310 CA ARG A 18 8.766 -5.953 16.133 1.00 0.00 C ATOM 311 C ARG A 18 7.426 -6.002 15.398 1.00 0.00 C ATOM 312 O ARG A 18 6.370 -6.064 16.027 1.00 0.00 O ATOM 313 CB ARG A 18 9.465 -7.307 15.997 1.00 0.00 C ATOM 314 CG ARG A 18 10.470 -7.522 17.130 1.00 0.00 C ATOM 315 CD ARG A 18 11.001 -8.958 17.128 1.00 0.00 C ATOM 316 NE ARG A 18 11.760 -9.218 18.371 1.00 0.00 N ATOM 317 CZ ARG A 18 12.728 -10.153 18.484 1.00 0.00 C ATOM 318 NH1 ARG A 18 13.062 -10.925 17.429 1.00 0.00 N ATOM 319 NH2 ARG A 18 13.342 -10.301 19.643 1.00 0.00 N ATOM 0 H ARG A 18 7.662 -5.896 17.914 1.00 0.00 H new ATOM 0 HA ARG A 18 9.399 -5.184 15.690 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.723 -8.106 16.008 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.978 -7.361 15.037 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.300 -6.824 17.022 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.995 -7.307 18.087 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.172 -9.661 17.044 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.642 -9.116 16.261 1.00 0.00 H new ATOM 0 HE ARG A 18 11.539 -8.657 19.193 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.582 -10.805 16.537 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.794 -11.629 17.524 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.083 -9.714 20.436 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.075 -11.002 19.746 1.00 0.00 H new ATOM 332 N ARG A 19 7.511 -5.973 14.076 1.00 0.00 N ATOM 333 CA ARG A 19 6.318 -6.013 13.248 1.00 0.00 C ATOM 334 C ARG A 19 6.697 -5.958 11.767 1.00 0.00 C ATOM 335 O ARG A 19 7.759 -5.447 11.413 1.00 0.00 O ATOM 336 CB ARG A 19 5.383 -4.847 13.572 1.00 0.00 C ATOM 337 CG ARG A 19 3.923 -5.227 13.317 1.00 0.00 C ATOM 338 CD ARG A 19 3.502 -4.864 11.892 1.00 0.00 C ATOM 339 NE ARG A 19 2.360 -3.923 11.925 1.00 0.00 N ATOM 340 CZ ARG A 19 2.487 -2.582 12.002 1.00 0.00 C ATOM 341 NH1 ARG A 19 3.709 -2.011 12.055 1.00 0.00 N ATOM 342 NH2 ARG A 19 1.397 -1.836 12.025 1.00 0.00 N ATOM 0 H ARG A 19 8.388 -5.922 13.558 1.00 0.00 H new ATOM 0 HA ARG A 19 5.800 -6.948 13.459 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.509 -4.554 14.614 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.649 -3.983 12.963 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.789 -6.297 13.478 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.280 -4.714 14.032 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.340 -4.413 11.360 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.225 -5.765 11.345 1.00 0.00 H new ATOM 0 HE ARG A 19 1.418 -4.313 11.887 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.546 -2.594 12.037 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.796 -0.996 12.113 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.477 -2.275 11.985 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.475 -0.821 12.083 1.00 0.00 H new ATOM 355 N CYS A 20 5.808 -6.489 10.941 1.00 0.00 N ATOM 356 CA CYS A 20 6.037 -6.507 9.506 1.00 0.00 C ATOM 357 C CYS A 20 4.679 -6.458 8.803 1.00 0.00 C ATOM 358 O CYS A 20 3.651 -6.755 9.409 1.00 0.00 O ATOM 359 CB CYS A 20 6.858 -7.725 9.078 1.00 0.00 C ATOM 360 SG CYS A 20 8.582 -7.742 9.691 1.00 0.00 S ATOM 0 H CYS A 20 4.928 -6.910 11.238 1.00 0.00 H new ATOM 0 HA CYS A 20 6.626 -5.636 9.218 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.354 -8.626 9.427 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.874 -7.770 7.989 1.00 0.00 H new ATOM 365 N TRP A 21 4.719 -6.082 7.533 1.00 0.00 N ATOM 366 CA TRP A 21 3.504 -5.991 6.741 1.00 0.00 C ATOM 367 C TRP A 21 3.673 -6.887 5.512 1.00 0.00 C ATOM 368 O TRP A 21 4.775 -7.353 5.225 1.00 0.00 O ATOM 369 CB TRP A 21 3.192 -4.537 6.381 1.00 0.00 C ATOM 370 CG TRP A 21 2.365 -4.375 5.104 1.00 0.00 C ATOM 371 CD1 TRP A 21 1.084 -3.999 4.992 1.00 0.00 C ATOM 372 CD2 TRP A 21 2.818 -4.602 3.752 1.00 0.00 C ATOM 373 NE1 TRP A 21 0.679 -3.967 3.673 1.00 0.00 N ATOM 374 CE2 TRP A 21 1.767 -4.346 2.895 1.00 0.00 C ATOM 375 CE3 TRP A 21 4.074 -5.011 3.270 1.00 0.00 C ATOM 376 CZ2 TRP A 21 1.865 -4.469 1.504 1.00 0.00 C ATOM 377 CZ3 TRP A 21 4.155 -5.130 1.877 1.00 0.00 C ATOM 378 CH2 TRP A 21 3.107 -4.875 1.001 1.00 0.00 C ATOM 0 H TRP A 21 5.574 -5.837 7.033 1.00 0.00 H new ATOM 0 HA TRP A 21 2.644 -6.341 7.312 1.00 0.00 H new ATOM 0 HB2 TRP A 21 2.655 -4.076 7.210 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.129 -3.993 6.266 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.448 -3.752 5.829 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.248 -3.712 3.332 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.910 -5.217 3.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 1.028 -4.262 0.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.098 -5.442 1.454 1.00 0.00 H new ATOM 0 HH2 TRP A 21 3.250 -4.989 -0.063 1.00 0.00 H new TER 389 TRP A 21 ATOM 390 N ARG B 31 8.929 -0.276 3.218 1.00 0.00 N ATOM 391 CA ARG B 31 9.067 0.596 4.372 1.00 0.00 C ATOM 392 C ARG B 31 9.840 -0.115 5.485 1.00 0.00 C ATOM 393 O ARG B 31 9.674 -1.316 5.691 1.00 0.00 O ATOM 394 CB ARG B 31 7.698 1.024 4.905 1.00 0.00 C ATOM 395 CG ARG B 31 7.786 2.375 5.619 1.00 0.00 C ATOM 396 CD ARG B 31 7.485 3.525 4.656 1.00 0.00 C ATOM 397 NE ARG B 31 6.103 3.405 4.140 1.00 0.00 N ATOM 398 CZ ARG B 31 5.005 3.795 4.820 1.00 0.00 C ATOM 399 NH1 ARG B 31 5.118 4.335 6.053 1.00 0.00 N ATOM 400 NH2 ARG B 31 3.818 3.642 4.263 1.00 0.00 N ATOM 0 HA ARG B 31 9.615 1.483 4.054 1.00 0.00 H new ATOM 0 HB2 ARG B 31 6.987 1.089 4.081 1.00 0.00 H new ATOM 0 HB3 ARG B 31 7.319 0.269 5.594 1.00 0.00 H new ATOM 0 HG2 ARG B 31 7.081 2.398 6.450 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.782 2.502 6.043 1.00 0.00 H new ATOM 0 HD2 ARG B 31 7.610 4.480 5.167 1.00 0.00 H new ATOM 0 HD3 ARG B 31 8.194 3.512 3.828 1.00 0.00 H new ATOM 0 HE ARG B 31 5.973 3.002 3.212 1.00 0.00 H new ATOM 0 HH11 ARG B 31 6.039 4.451 6.477 1.00 0.00 H new ATOM 0 HH12 ARG B 31 4.283 4.627 6.560 1.00 0.00 H new ATOM 0 HH21 ARG B 31 3.741 3.234 3.331 1.00 0.00 H new ATOM 0 HH22 ARG B 31 2.978 3.932 4.764 1.00 0.00 H new ATOM 413 N TRP B 32 10.669 0.658 6.172 1.00 0.00 N ATOM 414 CA TRP B 32 11.468 0.117 7.258 1.00 0.00 C ATOM 415 C TRP B 32 11.445 1.125 8.409 1.00 0.00 C ATOM 416 O TRP B 32 12.192 2.102 8.399 1.00 0.00 O ATOM 417 CB TRP B 32 12.884 -0.216 6.784 1.00 0.00 C ATOM 418 CG TRP B 32 13.048 -1.649 6.273 1.00 0.00 C ATOM 419 CD1 TRP B 32 13.013 -2.081 5.005 1.00 0.00 C ATOM 420 CD2 TRP B 32 13.277 -2.827 7.074 1.00 0.00 C ATOM 421 NE1 TRP B 32 13.201 -3.446 4.931 1.00 0.00 N ATOM 422 CE2 TRP B 32 13.367 -3.914 6.229 1.00 0.00 C ATOM 423 CE3 TRP B 32 13.404 -2.969 8.467 1.00 0.00 C ATOM 424 CZ2 TRP B 32 13.587 -5.221 6.682 1.00 0.00 C ATOM 425 CZ3 TRP B 32 13.623 -4.281 8.904 1.00 0.00 C ATOM 426 CH2 TRP B 32 13.716 -5.386 8.066 1.00 0.00 C ATOM 0 H TRP B 32 10.804 1.654 5.997 1.00 0.00 H new ATOM 0 HA TRP B 32 11.050 -0.826 7.612 1.00 0.00 H new ATOM 0 HB2 TRP B 32 13.162 0.476 5.989 1.00 0.00 H new ATOM 0 HB3 TRP B 32 13.580 -0.053 7.607 1.00 0.00 H new ATOM 0 HD1 TRP B 32 12.857 -1.441 4.149 1.00 0.00 H new ATOM 0 HE1 TRP B 32 13.215 -4.008 4.080 1.00 0.00 H new ATOM 0 HE3 TRP B 32 13.338 -2.132 9.146 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 13.653 -6.056 6.000 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 13.727 -4.446 9.966 1.00 0.00 H new ATOM 0 HH2 TRP B 32 13.887 -6.368 8.481 1.00 0.00 H new ATOM 437 N CYS B 33 10.579 0.852 9.375 1.00 0.00 N ATOM 438 CA CYS B 33 10.449 1.723 10.531 1.00 0.00 C ATOM 439 C CYS B 33 11.439 1.254 11.599 1.00 0.00 C ATOM 440 O CYS B 33 11.811 0.082 11.634 1.00 0.00 O ATOM 441 CB CYS B 33 9.012 1.753 11.057 1.00 0.00 C ATOM 442 SG CYS B 33 7.956 3.059 10.332 1.00 0.00 S ATOM 0 H CYS B 33 9.961 0.040 9.381 1.00 0.00 H new ATOM 0 HA CYS B 33 10.683 2.749 10.246 1.00 0.00 H new ATOM 0 HB2 CYS B 33 8.550 0.784 10.866 1.00 0.00 H new ATOM 0 HB3 CYS B 33 9.039 1.886 12.139 1.00 0.00 H new ATOM 447 N VAL B 34 11.836 2.193 12.445 1.00 0.00 N ATOM 448 CA VAL B 34 12.776 1.891 13.511 1.00 0.00 C ATOM 449 C VAL B 34 12.512 2.822 14.696 1.00 0.00 C ATOM 450 O VAL B 34 12.484 4.042 14.538 1.00 0.00 O ATOM 451 CB VAL B 34 14.210 1.983 12.987 1.00 0.00 C ATOM 452 CG1 VAL B 34 14.419 1.049 11.793 1.00 0.00 C ATOM 453 CG2 VAL B 34 14.570 3.425 12.623 1.00 0.00 C ATOM 0 H VAL B 34 11.524 3.164 12.414 1.00 0.00 H new ATOM 0 HA VAL B 34 12.638 0.869 13.863 1.00 0.00 H new ATOM 0 HB VAL B 34 14.879 1.662 13.786 1.00 0.00 H new ATOM 0 HG11 VAL B 34 15.447 1.134 11.440 1.00 0.00 H new ATOM 0 HG12 VAL B 34 14.224 0.021 12.097 1.00 0.00 H new ATOM 0 HG13 VAL B 34 13.736 1.326 10.990 1.00 0.00 H new ATOM 0 HG21 VAL B 34 15.595 3.462 12.253 1.00 0.00 H new ATOM 0 HG22 VAL B 34 13.892 3.785 11.849 1.00 0.00 H new ATOM 0 HG23 VAL B 34 14.480 4.057 13.507 1.00 0.00 H new ATOM 463 N TYR B 35 12.325 2.211 15.857 1.00 0.00 N ATOM 464 CA TYR B 35 12.064 2.970 17.069 1.00 0.00 C ATOM 465 C TYR B 35 12.646 2.263 18.294 1.00 0.00 C ATOM 466 O TYR B 35 12.115 1.247 18.740 1.00 0.00 O ATOM 467 CB TYR B 35 10.541 3.033 17.207 1.00 0.00 C ATOM 468 CG TYR B 35 10.040 4.223 18.028 1.00 0.00 C ATOM 469 CD1 TYR B 35 10.588 5.475 17.834 1.00 0.00 C ATOM 470 CD2 TYR B 35 9.040 4.044 18.962 1.00 0.00 C ATOM 471 CE1 TYR B 35 10.116 6.595 18.607 1.00 0.00 C ATOM 472 CE2 TYR B 35 8.568 5.164 19.735 1.00 0.00 C ATOM 473 CZ TYR B 35 9.130 6.384 19.519 1.00 0.00 C ATOM 474 OH TYR B 35 8.684 7.442 20.249 1.00 0.00 O ATOM 0 H TYR B 35 12.349 1.199 15.984 1.00 0.00 H new ATOM 0 HA TYR B 35 12.520 3.958 17.009 1.00 0.00 H new ATOM 0 HB2 TYR B 35 10.098 3.078 16.212 1.00 0.00 H new ATOM 0 HB3 TYR B 35 10.190 2.111 17.671 1.00 0.00 H new ATOM 0 HD1 TYR B 35 11.370 5.615 17.103 1.00 0.00 H new ATOM 0 HD2 TYR B 35 8.611 3.064 19.113 1.00 0.00 H new ATOM 0 HE1 TYR B 35 10.536 7.580 18.465 1.00 0.00 H new ATOM 0 HE2 TYR B 35 7.786 5.038 20.469 1.00 0.00 H new ATOM 0 HH TYR B 35 7.978 7.144 20.860 1.00 0.00 H new ATOM 484 N ALA B 36 13.730 2.829 18.804 1.00 0.00 N ATOM 485 CA ALA B 36 14.390 2.266 19.970 1.00 0.00 C ATOM 486 C ALA B 36 14.638 3.374 20.995 1.00 0.00 C ATOM 487 O ALA B 36 14.654 4.554 20.648 1.00 0.00 O ATOM 488 CB ALA B 36 15.683 1.571 19.538 1.00 0.00 C ATOM 0 H ALA B 36 14.168 3.672 18.431 1.00 0.00 H new ATOM 0 HA ALA B 36 13.758 1.515 20.444 1.00 0.00 H new ATOM 0 HB1 ALA B 36 16.179 1.149 20.412 1.00 0.00 H new ATOM 0 HB2 ALA B 36 15.449 0.774 18.833 1.00 0.00 H new ATOM 0 HB3 ALA B 36 16.344 2.295 19.061 1.00 0.00 H new ATOM 494 N TYR B 37 14.827 2.955 22.238 1.00 0.00 N ATOM 495 CA TYR B 37 15.073 3.898 23.316 1.00 0.00 C ATOM 496 C TYR B 37 15.965 3.277 24.393 1.00 0.00 C ATOM 497 O TYR B 37 15.479 2.865 25.445 1.00 0.00 O ATOM 498 CB TYR B 37 13.704 4.212 23.923 1.00 0.00 C ATOM 499 CG TYR B 37 13.657 5.527 24.704 1.00 0.00 C ATOM 500 CD1 TYR B 37 14.428 5.684 25.838 1.00 0.00 C ATOM 501 CD2 TYR B 37 12.844 6.556 24.274 1.00 0.00 C ATOM 502 CE1 TYR B 37 14.383 6.922 26.573 1.00 0.00 C ATOM 503 CE2 TYR B 37 12.799 7.793 25.009 1.00 0.00 C ATOM 504 CZ TYR B 37 13.571 7.915 26.122 1.00 0.00 C ATOM 505 OH TYR B 37 13.529 9.084 26.817 1.00 0.00 O ATOM 0 H TYR B 37 14.815 1.976 22.522 1.00 0.00 H new ATOM 0 HA TYR B 37 15.577 4.788 22.940 1.00 0.00 H new ATOM 0 HB2 TYR B 37 12.963 4.249 23.124 1.00 0.00 H new ATOM 0 HB3 TYR B 37 13.416 3.397 24.587 1.00 0.00 H new ATOM 0 HD1 TYR B 37 15.065 4.879 26.174 1.00 0.00 H new ATOM 0 HD2 TYR B 37 12.242 6.433 23.386 1.00 0.00 H new ATOM 0 HE1 TYR B 37 14.981 7.058 27.462 1.00 0.00 H new ATOM 0 HE2 TYR B 37 12.166 8.606 24.684 1.00 0.00 H new ATOM 0 HH TYR B 37 12.908 9.703 26.379 1.00 0.00 H new ATOM 515 N VAL B 38 17.255 3.230 24.094 1.00 0.00 N ATOM 516 CA VAL B 38 18.219 2.667 25.023 1.00 0.00 C ATOM 517 C VAL B 38 18.969 3.802 25.723 1.00 0.00 C ATOM 518 O VAL B 38 19.361 4.778 25.085 1.00 0.00 O ATOM 519 CB VAL B 38 19.149 1.698 24.290 1.00 0.00 C ATOM 520 CG1 VAL B 38 20.211 1.135 25.237 1.00 0.00 C ATOM 521 CG2 VAL B 38 18.354 0.573 23.625 1.00 0.00 C ATOM 0 H VAL B 38 17.655 3.573 23.221 1.00 0.00 H new ATOM 0 HA VAL B 38 17.712 2.088 25.795 1.00 0.00 H new ATOM 0 HB VAL B 38 19.662 2.254 23.505 1.00 0.00 H new ATOM 0 HG11 VAL B 38 20.859 0.449 24.691 1.00 0.00 H new ATOM 0 HG12 VAL B 38 20.807 1.952 25.642 1.00 0.00 H new ATOM 0 HG13 VAL B 38 19.724 0.602 26.054 1.00 0.00 H new ATOM 0 HG21 VAL B 38 19.039 -0.102 23.111 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.801 0.020 24.384 1.00 0.00 H new ATOM 0 HG23 VAL B 38 17.655 0.998 22.905 1.00 0.00 H new ATOM 531 N ARG B 39 19.148 3.636 27.026 1.00 0.00 N ATOM 532 CA ARG B 39 19.844 4.634 27.819 1.00 0.00 C ATOM 533 C ARG B 39 20.807 3.958 28.797 1.00 0.00 C ATOM 534 O ARG B 39 20.452 2.971 29.440 1.00 0.00 O ATOM 535 CB ARG B 39 18.857 5.502 28.603 1.00 0.00 C ATOM 536 CG ARG B 39 19.462 6.871 28.920 1.00 0.00 C ATOM 537 CD ARG B 39 18.547 7.673 29.846 1.00 0.00 C ATOM 538 NE ARG B 39 19.246 7.969 31.117 1.00 0.00 N ATOM 539 CZ ARG B 39 18.951 9.015 31.918 1.00 0.00 C ATOM 540 NH1 ARG B 39 17.964 9.875 31.586 1.00 0.00 N ATOM 541 NH2 ARG B 39 19.641 9.184 33.030 1.00 0.00 N ATOM 0 H ARG B 39 18.823 2.825 27.552 1.00 0.00 H new ATOM 0 HA ARG B 39 20.404 5.270 27.134 1.00 0.00 H new ATOM 0 HB2 ARG B 39 17.942 5.630 28.025 1.00 0.00 H new ATOM 0 HB3 ARG B 39 18.581 4.999 29.530 1.00 0.00 H new ATOM 0 HG2 ARG B 39 20.437 6.742 29.389 1.00 0.00 H new ATOM 0 HG3 ARG B 39 19.624 7.424 27.995 1.00 0.00 H new ATOM 0 HD2 ARG B 39 18.249 8.602 29.360 1.00 0.00 H new ATOM 0 HD3 ARG B 39 17.635 7.111 30.046 1.00 0.00 H new ATOM 0 HE ARG B 39 19.998 7.343 31.406 1.00 0.00 H new ATOM 0 HH11 ARG B 39 17.435 9.737 30.725 1.00 0.00 H new ATOM 0 HH12 ARG B 39 17.747 10.663 32.197 1.00 0.00 H new ATOM 0 HH21 ARG B 39 20.385 8.529 33.273 1.00 0.00 H new ATOM 0 HH22 ARG B 39 19.431 9.969 33.646 1.00 0.00 H new ATOM 554 N ILE B 40 22.006 4.516 28.879 1.00 0.00 N ATOM 555 CA ILE B 40 23.022 3.979 29.768 1.00 0.00 C ATOM 556 C ILE B 40 23.947 5.110 30.221 1.00 0.00 C ATOM 557 O ILE B 40 24.063 6.131 29.544 1.00 0.00 O ATOM 558 CB ILE B 40 23.756 2.814 29.101 1.00 0.00 C ATOM 559 CG1 ILE B 40 22.947 1.520 29.213 1.00 0.00 C ATOM 560 CG2 ILE B 40 25.168 2.658 29.670 1.00 0.00 C ATOM 561 CD1 ILE B 40 23.831 0.359 29.674 1.00 0.00 C ATOM 0 H ILE B 40 22.297 5.335 28.344 1.00 0.00 H new ATOM 0 HA ILE B 40 22.562 3.564 30.665 1.00 0.00 H new ATOM 0 HB ILE B 40 23.859 3.038 28.039 1.00 0.00 H new ATOM 0 HG12 ILE B 40 22.127 1.659 29.917 1.00 0.00 H new ATOM 0 HG13 ILE B 40 22.501 1.281 28.248 1.00 0.00 H new ATOM 0 HG21 ILE B 40 25.668 1.823 29.179 1.00 0.00 H new ATOM 0 HG22 ILE B 40 25.734 3.573 29.496 1.00 0.00 H new ATOM 0 HG23 ILE B 40 25.109 2.466 30.741 1.00 0.00 H new ATOM 0 HD11 ILE B 40 23.232 -0.549 29.745 1.00 0.00 H new ATOM 0 HD12 ILE B 40 24.636 0.207 28.955 1.00 0.00 H new ATOM 0 HD13 ILE B 40 24.256 0.591 30.651 1.00 0.00 H new ATOM 573 N ARG B 41 24.581 4.891 31.363 1.00 0.00 N ATOM 574 CA ARG B 41 25.492 5.880 31.914 1.00 0.00 C ATOM 575 C ARG B 41 24.801 7.241 32.015 1.00 0.00 C ATOM 576 O ARG B 41 24.286 7.603 33.071 1.00 0.00 O ATOM 577 CB ARG B 41 26.747 6.015 31.049 1.00 0.00 C ATOM 578 CG ARG B 41 27.636 4.777 31.175 1.00 0.00 C ATOM 579 CD ARG B 41 28.462 4.822 32.462 1.00 0.00 C ATOM 580 NE ARG B 41 29.786 5.424 32.193 1.00 0.00 N ATOM 581 CZ ARG B 41 30.830 5.372 33.049 1.00 0.00 C ATOM 582 NH1 ARG B 41 30.710 4.743 34.237 1.00 0.00 N ATOM 583 NH2 ARG B 41 31.968 5.944 32.705 1.00 0.00 N ATOM 0 H ARG B 41 24.482 4.044 31.922 1.00 0.00 H new ATOM 0 HA ARG B 41 25.785 5.543 32.909 1.00 0.00 H new ATOM 0 HB2 ARG B 41 26.461 6.157 30.007 1.00 0.00 H new ATOM 0 HB3 ARG B 41 27.306 6.901 31.350 1.00 0.00 H new ATOM 0 HG2 ARG B 41 27.018 3.879 31.167 1.00 0.00 H new ATOM 0 HG3 ARG B 41 28.301 4.714 30.314 1.00 0.00 H new ATOM 0 HD2 ARG B 41 27.937 5.402 33.221 1.00 0.00 H new ATOM 0 HD3 ARG B 41 28.585 3.815 32.860 1.00 0.00 H new ATOM 0 HE ARG B 41 29.919 5.909 31.306 1.00 0.00 H new ATOM 0 HH11 ARG B 41 29.827 4.303 34.494 1.00 0.00 H new ATOM 0 HH12 ARG B 41 31.503 4.708 34.878 1.00 0.00 H new ATOM 0 HH21 ARG B 41 32.050 6.416 31.805 1.00 0.00 H new ATOM 0 HH22 ARG B 41 32.766 5.914 33.339 1.00 0.00 H new ATOM 596 N GLY B 42 24.812 7.958 30.901 1.00 0.00 N ATOM 597 CA GLY B 42 24.193 9.272 30.850 1.00 0.00 C ATOM 598 C GLY B 42 23.945 9.705 29.404 1.00 0.00 C ATOM 599 O GLY B 42 23.907 10.899 29.108 1.00 0.00 O ATOM 0 H GLY B 42 25.240 7.654 30.026 1.00 0.00 H new ATOM 0 HA2 GLY B 42 23.249 9.255 31.395 1.00 0.00 H new ATOM 0 HA3 GLY B 42 24.835 10.000 31.346 1.00 0.00 H new ATOM 603 N VAL B 43 23.782 8.713 28.542 1.00 0.00 N ATOM 604 CA VAL B 43 23.539 8.977 27.134 1.00 0.00 C ATOM 605 C VAL B 43 22.319 8.176 26.673 1.00 0.00 C ATOM 606 O VAL B 43 22.250 6.966 26.886 1.00 0.00 O ATOM 607 CB VAL B 43 24.797 8.672 26.319 1.00 0.00 C ATOM 608 CG1 VAL B 43 24.881 9.571 25.084 1.00 0.00 C ATOM 609 CG2 VAL B 43 26.054 8.806 27.181 1.00 0.00 C ATOM 0 H VAL B 43 23.813 7.724 28.791 1.00 0.00 H new ATOM 0 HA VAL B 43 23.314 10.032 26.977 1.00 0.00 H new ATOM 0 HB VAL B 43 24.733 7.639 25.978 1.00 0.00 H new ATOM 0 HG11 VAL B 43 25.784 9.334 24.522 1.00 0.00 H new ATOM 0 HG12 VAL B 43 24.007 9.406 24.453 1.00 0.00 H new ATOM 0 HG13 VAL B 43 24.911 10.615 25.395 1.00 0.00 H new ATOM 0 HG21 VAL B 43 26.934 8.584 26.578 1.00 0.00 H new ATOM 0 HG22 VAL B 43 26.125 9.824 27.565 1.00 0.00 H new ATOM 0 HG23 VAL B 43 26.000 8.106 28.015 1.00 0.00 H new ATOM 619 N LEU B 44 21.388 8.882 26.049 1.00 0.00 N ATOM 620 CA LEU B 44 20.176 8.252 25.555 1.00 0.00 C ATOM 621 C LEU B 44 20.311 8.003 24.052 1.00 0.00 C ATOM 622 O LEU B 44 20.288 8.943 23.259 1.00 0.00 O ATOM 623 CB LEU B 44 18.948 9.084 25.933 1.00 0.00 C ATOM 624 CG LEU B 44 17.769 9.020 24.960 1.00 0.00 C ATOM 625 CD1 LEU B 44 17.251 7.588 24.819 1.00 0.00 C ATOM 626 CD2 LEU B 44 16.663 9.992 25.374 1.00 0.00 C ATOM 0 H LEU B 44 21.449 9.885 25.874 1.00 0.00 H new ATOM 0 HA LEU B 44 20.032 7.280 26.027 1.00 0.00 H new ATOM 0 HB2 LEU B 44 18.602 8.759 26.914 1.00 0.00 H new ATOM 0 HB3 LEU B 44 19.256 10.125 26.032 1.00 0.00 H new ATOM 0 HG LEU B 44 18.121 9.333 23.977 1.00 0.00 H new ATOM 0 HD11 LEU B 44 16.413 7.571 24.122 1.00 0.00 H new ATOM 0 HD12 LEU B 44 18.049 6.948 24.443 1.00 0.00 H new ATOM 0 HD13 LEU B 44 16.921 7.223 25.792 1.00 0.00 H new ATOM 0 HD21 LEU B 44 15.837 9.926 24.666 1.00 0.00 H new ATOM 0 HD22 LEU B 44 16.307 9.734 26.371 1.00 0.00 H new ATOM 0 HD23 LEU B 44 17.056 11.009 25.380 1.00 0.00 H new ATOM 638 N VAL B 45 20.448 6.732 23.705 1.00 0.00 N ATOM 639 CA VAL B 45 20.587 6.347 22.311 1.00 0.00 C ATOM 640 C VAL B 45 19.220 5.931 21.762 1.00 0.00 C ATOM 641 O VAL B 45 18.876 4.751 21.774 1.00 0.00 O ATOM 642 CB VAL B 45 21.645 5.251 22.173 1.00 0.00 C ATOM 643 CG1 VAL B 45 22.210 5.209 20.752 1.00 0.00 C ATOM 644 CG2 VAL B 45 22.762 5.435 23.202 1.00 0.00 C ATOM 0 H VAL B 45 20.466 5.955 24.366 1.00 0.00 H new ATOM 0 HA VAL B 45 20.934 7.191 21.715 1.00 0.00 H new ATOM 0 HB VAL B 45 21.163 4.294 22.369 1.00 0.00 H new ATOM 0 HG11 VAL B 45 22.960 4.421 20.682 1.00 0.00 H new ATOM 0 HG12 VAL B 45 21.404 5.007 20.046 1.00 0.00 H new ATOM 0 HG13 VAL B 45 22.669 6.169 20.514 1.00 0.00 H new ATOM 0 HG21 VAL B 45 23.501 4.643 23.082 1.00 0.00 H new ATOM 0 HG22 VAL B 45 23.240 6.403 23.051 1.00 0.00 H new ATOM 0 HG23 VAL B 45 22.342 5.391 24.207 1.00 0.00 H new ATOM 654 N ARG B 46 18.478 6.925 21.296 1.00 0.00 N ATOM 655 CA ARG B 46 17.157 6.677 20.744 1.00 0.00 C ATOM 656 C ARG B 46 17.132 7.018 19.253 1.00 0.00 C ATOM 657 O ARG B 46 17.852 7.908 18.804 1.00 0.00 O ATOM 658 CB ARG B 46 16.094 7.506 21.468 1.00 0.00 C ATOM 659 CG ARG B 46 14.953 7.882 20.520 1.00 0.00 C ATOM 660 CD ARG B 46 13.834 8.608 21.270 1.00 0.00 C ATOM 661 NE ARG B 46 12.713 7.678 21.531 1.00 0.00 N ATOM 662 CZ ARG B 46 11.431 8.067 21.702 1.00 0.00 C ATOM 663 NH1 ARG B 46 11.098 9.374 21.641 1.00 0.00 N ATOM 664 NH2 ARG B 46 10.510 7.150 21.930 1.00 0.00 N ATOM 0 H ARG B 46 18.766 7.903 21.289 1.00 0.00 H new ATOM 0 HA ARG B 46 16.933 5.619 20.882 1.00 0.00 H new ATOM 0 HB2 ARG B 46 15.699 6.940 22.312 1.00 0.00 H new ATOM 0 HB3 ARG B 46 16.547 8.410 21.874 1.00 0.00 H new ATOM 0 HG2 ARG B 46 15.334 8.519 19.722 1.00 0.00 H new ATOM 0 HG3 ARG B 46 14.556 6.983 20.048 1.00 0.00 H new ATOM 0 HD2 ARG B 46 14.214 9.005 22.211 1.00 0.00 H new ATOM 0 HD3 ARG B 46 13.484 9.457 20.684 1.00 0.00 H new ATOM 0 HE ARG B 46 12.921 6.681 21.585 1.00 0.00 H new ATOM 0 HH11 ARG B 46 11.817 10.076 21.465 1.00 0.00 H new ATOM 0 HH12 ARG B 46 10.128 9.660 21.771 1.00 0.00 H new ATOM 0 HH21 ARG B 46 10.771 6.165 21.975 1.00 0.00 H new ATOM 0 HH22 ARG B 46 9.537 7.426 22.061 1.00 0.00 H new ATOM 677 N TYR B 47 16.295 6.291 18.527 1.00 0.00 N ATOM 678 CA TYR B 47 16.166 6.505 17.095 1.00 0.00 C ATOM 679 C TYR B 47 14.704 6.412 16.656 1.00 0.00 C ATOM 680 O TYR B 47 13.942 5.606 17.188 1.00 0.00 O ATOM 681 CB TYR B 47 16.959 5.380 16.428 1.00 0.00 C ATOM 682 CG TYR B 47 17.565 5.763 15.076 1.00 0.00 C ATOM 683 CD1 TYR B 47 18.152 7.000 14.909 1.00 0.00 C ATOM 684 CD2 TYR B 47 17.525 4.870 14.024 1.00 0.00 C ATOM 685 CE1 TYR B 47 18.723 7.360 13.637 1.00 0.00 C ATOM 686 CE2 TYR B 47 18.095 5.230 12.752 1.00 0.00 C ATOM 687 CZ TYR B 47 18.666 6.458 12.621 1.00 0.00 C ATOM 688 OH TYR B 47 19.205 6.798 11.419 1.00 0.00 O ATOM 0 H TYR B 47 15.700 5.553 18.903 1.00 0.00 H new ATOM 0 HA TYR B 47 16.532 7.494 16.820 1.00 0.00 H new ATOM 0 HB2 TYR B 47 17.760 5.067 17.098 1.00 0.00 H new ATOM 0 HB3 TYR B 47 16.304 4.520 16.290 1.00 0.00 H new ATOM 0 HD1 TYR B 47 18.183 7.698 15.732 1.00 0.00 H new ATOM 0 HD2 TYR B 47 17.066 3.901 14.155 1.00 0.00 H new ATOM 0 HE1 TYR B 47 19.186 8.325 13.493 1.00 0.00 H new ATOM 0 HE2 TYR B 47 18.070 4.541 11.921 1.00 0.00 H new ATOM 0 HH TYR B 47 19.093 6.056 10.788 1.00 0.00 H new ATOM 698 N ARG B 48 14.355 7.250 15.690 1.00 0.00 N ATOM 699 CA ARG B 48 12.997 7.272 15.174 1.00 0.00 C ATOM 700 C ARG B 48 12.995 7.700 13.705 1.00 0.00 C ATOM 701 O ARG B 48 13.387 8.820 13.380 1.00 0.00 O ATOM 702 CB ARG B 48 12.117 8.231 15.978 1.00 0.00 C ATOM 703 CG ARG B 48 10.976 8.780 15.119 1.00 0.00 C ATOM 704 CD ARG B 48 11.314 10.173 14.585 1.00 0.00 C ATOM 705 NE ARG B 48 10.621 11.205 15.387 1.00 0.00 N ATOM 706 CZ ARG B 48 9.278 11.315 15.481 1.00 0.00 C ATOM 707 NH1 ARG B 48 8.473 10.456 14.822 1.00 0.00 N ATOM 708 NH2 ARG B 48 8.766 12.276 16.227 1.00 0.00 N ATOM 0 H ARG B 48 14.989 7.918 15.252 1.00 0.00 H new ATOM 0 HA ARG B 48 12.592 6.264 15.264 1.00 0.00 H new ATOM 0 HB2 ARG B 48 11.707 7.713 16.845 1.00 0.00 H new ATOM 0 HB3 ARG B 48 12.722 9.055 16.355 1.00 0.00 H new ATOM 0 HG2 ARG B 48 10.785 8.104 14.286 1.00 0.00 H new ATOM 0 HG3 ARG B 48 10.061 8.825 15.709 1.00 0.00 H new ATOM 0 HD2 ARG B 48 12.391 10.334 14.623 1.00 0.00 H new ATOM 0 HD3 ARG B 48 11.016 10.253 13.539 1.00 0.00 H new ATOM 0 HE ARG B 48 11.193 11.875 15.901 1.00 0.00 H new ATOM 0 HH11 ARG B 48 8.878 9.717 14.248 1.00 0.00 H new ATOM 0 HH12 ARG B 48 7.460 10.546 14.898 1.00 0.00 H new ATOM 0 HH21 ARG B 48 9.382 12.921 16.721 1.00 0.00 H new ATOM 0 HH22 ARG B 48 7.754 12.374 16.309 1.00 0.00 H new ATOM 721 N ARG B 49 12.549 6.786 12.855 1.00 0.00 N ATOM 722 CA ARG B 49 12.491 7.055 11.429 1.00 0.00 C ATOM 723 C ARG B 49 11.943 5.838 10.681 1.00 0.00 C ATOM 724 O ARG B 49 11.818 4.757 11.255 1.00 0.00 O ATOM 725 CB ARG B 49 13.875 7.404 10.877 1.00 0.00 C ATOM 726 CG ARG B 49 13.762 8.206 9.579 1.00 0.00 C ATOM 727 CD ARG B 49 12.639 9.242 9.671 1.00 0.00 C ATOM 728 NE ARG B 49 12.734 9.979 10.951 1.00 0.00 N ATOM 729 CZ ARG B 49 12.153 11.176 11.180 1.00 0.00 C ATOM 730 NH1 ARG B 49 11.428 11.782 10.215 1.00 0.00 N ATOM 731 NH2 ARG B 49 12.303 11.745 12.361 1.00 0.00 N ATOM 0 H ARG B 49 12.224 5.858 13.127 1.00 0.00 H new ATOM 0 HA ARG B 49 11.828 7.907 11.279 1.00 0.00 H new ATOM 0 HB2 ARG B 49 14.431 7.980 11.617 1.00 0.00 H new ATOM 0 HB3 ARG B 49 14.439 6.489 10.695 1.00 0.00 H new ATOM 0 HG2 ARG B 49 14.708 8.707 9.373 1.00 0.00 H new ATOM 0 HG3 ARG B 49 13.571 7.530 8.745 1.00 0.00 H new ATOM 0 HD2 ARG B 49 12.706 9.938 8.835 1.00 0.00 H new ATOM 0 HD3 ARG B 49 11.670 8.748 9.597 1.00 0.00 H new ATOM 0 HE ARG B 49 13.272 9.556 11.707 1.00 0.00 H new ATOM 0 HH11 ARG B 49 11.316 11.335 9.305 1.00 0.00 H new ATOM 0 HH12 ARG B 49 10.992 12.686 10.396 1.00 0.00 H new ATOM 0 HH21 ARG B 49 12.851 11.281 13.085 1.00 0.00 H new ATOM 0 HH22 ARG B 49 11.871 12.649 12.550 1.00 0.00 H new ATOM 744 N CYS B 50 11.630 6.055 9.412 1.00 0.00 N ATOM 745 CA CYS B 50 11.098 4.989 8.580 1.00 0.00 C ATOM 746 C CYS B 50 11.579 5.214 7.145 1.00 0.00 C ATOM 747 O CYS B 50 11.580 6.344 6.657 1.00 0.00 O ATOM 748 CB CYS B 50 9.573 4.913 8.665 1.00 0.00 C ATOM 749 SG CYS B 50 8.904 4.798 10.365 1.00 0.00 S ATOM 0 H CYS B 50 11.735 6.953 8.940 1.00 0.00 H new ATOM 0 HA CYS B 50 11.465 4.027 8.939 1.00 0.00 H new ATOM 0 HB2 CYS B 50 9.152 5.795 8.183 1.00 0.00 H new ATOM 0 HB3 CYS B 50 9.234 4.047 8.097 1.00 0.00 H new ATOM 754 N TRP B 51 11.976 4.122 6.509 1.00 0.00 N ATOM 755 CA TRP B 51 12.458 4.186 5.140 1.00 0.00 C ATOM 756 C TRP B 51 11.317 3.757 4.216 1.00 0.00 C ATOM 757 O TRP B 51 10.219 3.454 4.680 1.00 0.00 O ATOM 758 CB TRP B 51 13.721 3.341 4.963 1.00 0.00 C ATOM 759 CG TRP B 51 14.027 2.976 3.509 1.00 0.00 C ATOM 760 CD1 TRP B 51 14.957 3.505 2.703 1.00 0.00 C ATOM 761 CD2 TRP B 51 13.358 1.973 2.715 1.00 0.00 C ATOM 762 NE1 TRP B 51 14.937 2.920 1.454 1.00 0.00 N ATOM 763 CE2 TRP B 51 13.934 1.958 1.461 1.00 0.00 C ATOM 764 CE3 TRP B 51 12.301 1.107 3.046 1.00 0.00 C ATOM 765 CZ2 TRP B 51 13.520 1.097 0.438 1.00 0.00 C ATOM 766 CZ3 TRP B 51 11.899 0.252 2.012 1.00 0.00 C ATOM 767 CH2 TRP B 51 12.469 0.225 0.744 1.00 0.00 C ATOM 0 H TRP B 51 11.974 3.187 6.917 1.00 0.00 H new ATOM 0 HA TRP B 51 12.751 5.204 4.882 1.00 0.00 H new ATOM 0 HB2 TRP B 51 14.570 3.885 5.377 1.00 0.00 H new ATOM 0 HB3 TRP B 51 13.616 2.424 5.543 1.00 0.00 H new ATOM 0 HD1 TRP B 51 15.637 4.291 2.995 1.00 0.00 H new ATOM 0 HE1 TRP B 51 15.546 3.151 0.669 1.00 0.00 H new ATOM 0 HE3 TRP B 51 11.836 1.101 4.021 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 13.987 1.105 -0.536 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 11.090 -0.434 2.214 1.00 0.00 H new ATOM 0 HH2 TRP B 51 12.102 -0.466 -0.001 1.00 0.00 H new TER 778 TRP B 51