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+ -117:sc= 0.138 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 5:sc= -3.17! 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 165:sc= -2.65! USER MOD Single : B 47 TYR OH : rot 165:sc= -0.139 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 8.553 -7.059 1.888 1.00 0.00 N ATOM 2 CA ARG A 1 7.478 -6.438 2.642 1.00 0.00 C ATOM 3 C ARG A 1 8.034 -5.349 3.562 1.00 0.00 C ATOM 4 O ARG A 1 9.247 -5.234 3.730 1.00 0.00 O ATOM 5 CB ARG A 1 6.727 -7.472 3.484 1.00 0.00 C ATOM 6 CG ARG A 1 5.704 -8.231 2.637 1.00 0.00 C ATOM 7 CD ARG A 1 4.279 -7.778 2.961 1.00 0.00 C ATOM 8 NE ARG A 1 3.409 -8.957 3.168 1.00 0.00 N ATOM 9 CZ ARG A 1 2.063 -8.898 3.258 1.00 0.00 C ATOM 10 NH1 ARG A 1 1.421 -7.714 3.161 1.00 0.00 N ATOM 11 NH2 ARG A 1 1.384 -10.015 3.443 1.00 0.00 N ATOM 0 H1 ARG A 1 8.411 -6.884 0.873 1.00 0.00 H new ATOM 0 H2 ARG A 1 9.464 -6.654 2.185 1.00 0.00 H new ATOM 0 H3 ARG A 1 8.555 -8.084 2.066 1.00 0.00 H new ATOM 0 HA ARG A 1 6.785 -5.995 1.927 1.00 0.00 H new ATOM 0 HB2 ARG A 1 7.436 -8.175 3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 1 6.222 -6.974 4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 1 5.910 -8.067 1.579 1.00 0.00 H new ATOM 0 HG3 ARG A 1 5.799 -9.302 2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.281 -7.155 3.856 1.00 0.00 H new ATOM 0 HD3 ARG A 1 3.889 -7.166 2.148 1.00 0.00 H new ATOM 0 HE ARG A 1 3.854 -9.871 3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 1 1.953 -6.856 3.019 1.00 0.00 H new ATOM 0 HH12 ARG A 1 0.404 -7.678 3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 1 1.877 -10.905 3.516 1.00 0.00 H new ATOM 0 HH22 ARG A 1 0.367 -9.988 3.513 1.00 0.00 H new ATOM 24 N TRP A 2 7.121 -4.577 4.132 1.00 0.00 N ATOM 25 CA TRP A 2 7.505 -3.501 5.030 1.00 0.00 C ATOM 26 C TRP A 2 7.509 -4.054 6.456 1.00 0.00 C ATOM 27 O TRP A 2 6.499 -4.573 6.927 1.00 0.00 O ATOM 28 CB TRP A 2 6.585 -2.290 4.860 1.00 0.00 C ATOM 29 CG TRP A 2 6.005 -2.141 3.452 1.00 0.00 C ATOM 30 CD1 TRP A 2 4.789 -1.700 3.103 1.00 0.00 C ATOM 31 CD2 TRP A 2 6.671 -2.454 2.210 1.00 0.00 C ATOM 32 NE1 TRP A 2 4.623 -1.706 1.733 1.00 0.00 N ATOM 33 CE2 TRP A 2 5.804 -2.178 1.173 1.00 0.00 C ATOM 34 CE3 TRP A 2 7.964 -2.953 1.972 1.00 0.00 C ATOM 35 CZ2 TRP A 2 6.135 -2.369 -0.174 1.00 0.00 C ATOM 36 CZ3 TRP A 2 8.279 -3.138 0.621 1.00 0.00 C ATOM 37 CH2 TRP A 2 7.417 -2.866 -0.436 1.00 0.00 C ATOM 0 H TRP A 2 6.116 -4.675 3.989 1.00 0.00 H new ATOM 0 HA TRP A 2 8.506 -3.140 4.794 1.00 0.00 H new ATOM 0 HB2 TRP A 2 5.764 -2.367 5.573 1.00 0.00 H new ATOM 0 HB3 TRP A 2 7.141 -1.386 5.110 1.00 0.00 H new ATOM 0 HD1 TRP A 2 4.034 -1.380 3.805 1.00 0.00 H new ATOM 0 HE1 TRP A 2 3.787 -1.417 1.225 1.00 0.00 H new ATOM 0 HE3 TRP A 2 8.659 -3.176 2.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 5.438 -2.145 -0.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 9.261 -3.519 0.382 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.735 -3.037 -1.454 1.00 0.00 H new ATOM 48 N CYS A 3 8.657 -3.924 7.104 1.00 0.00 N ATOM 49 CA CYS A 3 8.806 -4.404 8.467 1.00 0.00 C ATOM 50 C CYS A 3 9.183 -3.217 9.356 1.00 0.00 C ATOM 51 O CYS A 3 9.509 -2.141 8.857 1.00 0.00 O ATOM 52 CB CYS A 3 9.833 -5.535 8.560 1.00 0.00 C ATOM 53 SG CYS A 3 9.143 -7.216 8.350 1.00 0.00 S ATOM 0 H CYS A 3 9.493 -3.493 6.710 1.00 0.00 H new ATOM 0 HA CYS A 3 7.863 -4.829 8.810 1.00 0.00 H new ATOM 0 HB2 CYS A 3 10.599 -5.375 7.802 1.00 0.00 H new ATOM 0 HB3 CYS A 3 10.328 -5.479 9.530 1.00 0.00 H new ATOM 58 N VAL A 4 9.125 -3.453 10.659 1.00 0.00 N ATOM 59 CA VAL A 4 9.456 -2.416 11.622 1.00 0.00 C ATOM 60 C VAL A 4 10.026 -3.064 12.886 1.00 0.00 C ATOM 61 O VAL A 4 9.360 -3.876 13.526 1.00 0.00 O ATOM 62 CB VAL A 4 8.227 -1.547 11.898 1.00 0.00 C ATOM 63 CG1 VAL A 4 7.451 -1.270 10.609 1.00 0.00 C ATOM 64 CG2 VAL A 4 7.326 -2.190 12.954 1.00 0.00 C ATOM 0 H VAL A 4 8.854 -4.346 11.070 1.00 0.00 H new ATOM 0 HA VAL A 4 10.223 -1.753 11.222 1.00 0.00 H new ATOM 0 HB VAL A 4 8.574 -0.592 12.292 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.583 -0.651 10.833 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.096 -0.749 9.901 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.121 -2.213 10.173 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.460 -1.552 13.131 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.992 -3.166 12.602 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.883 -2.311 13.883 1.00 0.00 H new ATOM 74 N TYR A 5 11.253 -2.680 13.207 1.00 0.00 N ATOM 75 CA TYR A 5 11.920 -3.214 14.383 1.00 0.00 C ATOM 76 C TYR A 5 12.179 -2.112 15.413 1.00 0.00 C ATOM 77 O TYR A 5 12.679 -1.042 15.070 1.00 0.00 O ATOM 78 CB TYR A 5 13.261 -3.764 13.893 1.00 0.00 C ATOM 79 CG TYR A 5 13.212 -5.231 13.462 1.00 0.00 C ATOM 80 CD1 TYR A 5 12.515 -5.594 12.328 1.00 0.00 C ATOM 81 CD2 TYR A 5 13.864 -6.192 14.208 1.00 0.00 C ATOM 82 CE1 TYR A 5 12.469 -6.975 11.922 1.00 0.00 C ATOM 83 CE2 TYR A 5 13.818 -7.572 13.802 1.00 0.00 C ATOM 84 CZ TYR A 5 13.122 -7.896 12.679 1.00 0.00 C ATOM 85 OH TYR A 5 13.079 -9.200 12.296 1.00 0.00 O ATOM 0 H TYR A 5 11.802 -2.006 12.674 1.00 0.00 H new ATOM 0 HA TYR A 5 11.305 -3.977 14.861 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.604 -3.160 13.053 1.00 0.00 H new ATOM 0 HB3 TYR A 5 13.999 -3.654 14.687 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.004 -4.842 11.745 1.00 0.00 H new ATOM 0 HD2 TYR A 5 14.409 -5.908 15.096 1.00 0.00 H new ATOM 0 HE1 TYR A 5 11.928 -7.272 11.036 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.325 -8.333 14.376 1.00 0.00 H new ATOM 0 HH TYR A 5 13.591 -9.744 12.930 1.00 0.00 H new ATOM 95 N ALA A 6 11.827 -2.413 16.654 1.00 0.00 N ATOM 96 CA ALA A 6 12.016 -1.462 17.736 1.00 0.00 C ATOM 97 C ALA A 6 12.806 -2.129 18.864 1.00 0.00 C ATOM 98 O ALA A 6 12.618 -3.312 19.143 1.00 0.00 O ATOM 99 CB ALA A 6 10.654 -0.945 18.205 1.00 0.00 C ATOM 0 H ALA A 6 11.412 -3.302 16.934 1.00 0.00 H new ATOM 0 HA ALA A 6 12.592 -0.602 17.394 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.796 -0.232 19.017 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.146 -0.454 17.375 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.049 -1.781 18.558 1.00 0.00 H new ATOM 105 N TYR A 7 13.673 -1.341 19.482 1.00 0.00 N ATOM 106 CA TYR A 7 14.493 -1.840 20.573 1.00 0.00 C ATOM 107 C TYR A 7 14.538 -0.838 21.728 1.00 0.00 C ATOM 108 O TYR A 7 15.166 0.214 21.618 1.00 0.00 O ATOM 109 CB TYR A 7 15.902 -2.004 20.001 1.00 0.00 C ATOM 110 CG TYR A 7 16.903 -2.621 20.980 1.00 0.00 C ATOM 111 CD1 TYR A 7 17.325 -1.902 22.080 1.00 0.00 C ATOM 112 CD2 TYR A 7 17.385 -3.896 20.762 1.00 0.00 C ATOM 113 CE1 TYR A 7 18.267 -2.482 23.001 1.00 0.00 C ATOM 114 CE2 TYR A 7 18.327 -4.476 21.684 1.00 0.00 C ATOM 115 CZ TYR A 7 18.722 -3.741 22.758 1.00 0.00 C ATOM 116 OH TYR A 7 19.612 -4.289 23.628 1.00 0.00 O ATOM 0 H TYR A 7 13.826 -0.360 19.248 1.00 0.00 H new ATOM 0 HA TYR A 7 14.088 -2.775 20.961 1.00 0.00 H new ATOM 0 HB2 TYR A 7 15.850 -2.628 19.109 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.271 -1.028 19.687 1.00 0.00 H new ATOM 0 HD1 TYR A 7 16.948 -0.904 22.250 1.00 0.00 H new ATOM 0 HD2 TYR A 7 17.056 -4.458 19.901 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.605 -1.930 23.866 1.00 0.00 H new ATOM 0 HE2 TYR A 7 18.711 -5.473 21.526 1.00 0.00 H new ATOM 0 HH TYR A 7 19.743 -3.683 24.387 1.00 0.00 H new ATOM 126 N VAL A 8 13.864 -1.200 22.810 1.00 0.00 N ATOM 127 CA VAL A 8 13.819 -0.346 23.984 1.00 0.00 C ATOM 128 C VAL A 8 14.636 -0.987 25.107 1.00 0.00 C ATOM 129 O VAL A 8 14.671 -2.210 25.235 1.00 0.00 O ATOM 130 CB VAL A 8 12.366 -0.077 24.381 1.00 0.00 C ATOM 131 CG1 VAL A 8 12.291 0.858 25.589 1.00 0.00 C ATOM 132 CG2 VAL A 8 11.571 0.487 23.201 1.00 0.00 C ATOM 0 H VAL A 8 13.345 -2.073 22.898 1.00 0.00 H new ATOM 0 HA VAL A 8 14.267 0.624 23.768 1.00 0.00 H new ATOM 0 HB VAL A 8 11.915 -1.028 24.666 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.247 1.032 25.850 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.805 0.402 26.435 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.767 1.807 25.344 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.542 0.669 23.510 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.022 1.423 22.872 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.582 -0.229 22.379 1.00 0.00 H new ATOM 142 N ARG A 9 15.275 -0.132 25.893 1.00 0.00 N ATOM 143 CA ARG A 9 16.090 -0.600 27.002 1.00 0.00 C ATOM 144 C ARG A 9 16.301 0.525 28.017 1.00 0.00 C ATOM 145 O ARG A 9 16.995 1.500 27.733 1.00 0.00 O ATOM 146 CB ARG A 9 17.451 -1.098 26.513 1.00 0.00 C ATOM 147 CG ARG A 9 18.513 -0.951 27.604 1.00 0.00 C ATOM 148 CD ARG A 9 19.750 -1.792 27.282 1.00 0.00 C ATOM 149 NE ARG A 9 20.959 -0.938 27.287 1.00 0.00 N ATOM 150 CZ ARG A 9 22.206 -1.393 27.529 1.00 0.00 C ATOM 151 NH1 ARG A 9 22.421 -2.700 27.788 1.00 0.00 N ATOM 152 NH2 ARG A 9 23.214 -0.540 27.508 1.00 0.00 N ATOM 0 H ARG A 9 15.245 0.882 25.784 1.00 0.00 H new ATOM 0 HA ARG A 9 15.562 -1.427 27.476 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.374 -2.143 26.214 1.00 0.00 H new ATOM 0 HB3 ARG A 9 17.752 -0.535 25.629 1.00 0.00 H new ATOM 0 HG2 ARG A 9 18.797 0.097 27.702 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.099 -1.260 28.564 1.00 0.00 H new ATOM 0 HD2 ARG A 9 19.857 -2.592 28.015 1.00 0.00 H new ATOM 0 HD3 ARG A 9 19.634 -2.266 26.307 1.00 0.00 H new ATOM 0 HE ARG A 9 20.842 0.057 27.095 1.00 0.00 H new ATOM 0 HH11 ARG A 9 21.637 -3.353 27.802 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.367 -3.035 27.970 1.00 0.00 H new ATOM 0 HH21 ARG A 9 23.044 0.446 27.311 1.00 0.00 H new ATOM 0 HH22 ARG A 9 24.163 -0.867 27.689 1.00 0.00 H new ATOM 165 N ILE A 10 15.689 0.352 29.180 1.00 0.00 N ATOM 166 CA ILE A 10 15.802 1.340 30.239 1.00 0.00 C ATOM 167 C ILE A 10 15.675 0.644 31.595 1.00 0.00 C ATOM 168 O ILE A 10 15.053 -0.412 31.700 1.00 0.00 O ATOM 169 CB ILE A 10 14.789 2.468 30.029 1.00 0.00 C ATOM 170 CG1 ILE A 10 14.457 2.637 28.545 1.00 0.00 C ATOM 171 CG2 ILE A 10 15.283 3.772 30.658 1.00 0.00 C ATOM 172 CD1 ILE A 10 13.347 3.671 28.346 1.00 0.00 C ATOM 0 H ILE A 10 15.114 -0.458 29.412 1.00 0.00 H new ATOM 0 HA ILE A 10 16.783 1.815 30.215 1.00 0.00 H new ATOM 0 HB ILE A 10 13.864 2.196 30.537 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.350 2.947 28.002 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.146 1.680 28.127 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.545 4.557 30.495 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.428 3.627 31.729 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.229 4.062 30.200 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.130 3.772 27.283 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.448 3.346 28.870 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.670 4.633 28.743 1.00 0.00 H new ATOM 184 N ARG A 11 16.275 1.265 32.601 1.00 0.00 N ATOM 185 CA ARG A 11 16.236 0.718 33.947 1.00 0.00 C ATOM 186 C ARG A 11 17.141 -0.512 34.046 1.00 0.00 C ATOM 187 O ARG A 11 17.872 -0.672 35.022 1.00 0.00 O ATOM 188 CB ARG A 11 14.811 0.328 34.343 1.00 0.00 C ATOM 189 CG ARG A 11 14.097 1.490 35.036 1.00 0.00 C ATOM 190 CD ARG A 11 12.992 2.063 34.146 1.00 0.00 C ATOM 191 NE ARG A 11 11.976 2.747 34.978 1.00 0.00 N ATOM 192 CZ ARG A 11 10.819 3.250 34.499 1.00 0.00 C ATOM 193 NH1 ARG A 11 10.520 3.149 33.186 1.00 0.00 N ATOM 194 NH2 ARG A 11 9.984 3.841 35.332 1.00 0.00 N ATOM 0 H ARG A 11 16.790 2.141 32.511 1.00 0.00 H new ATOM 0 HA ARG A 11 16.591 1.491 34.629 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.252 0.030 33.456 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.838 -0.535 35.008 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.669 1.149 35.979 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.817 2.272 35.277 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.418 2.764 33.428 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.525 1.263 33.571 1.00 0.00 H new ATOM 0 HE ARG A 11 12.162 2.844 35.976 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.171 2.690 32.549 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.643 3.532 32.832 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.217 3.913 36.322 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.105 4.226 34.986 1.00 0.00 H new ATOM 207 N GLY A 12 17.062 -1.349 33.022 1.00 0.00 N ATOM 208 CA GLY A 12 17.864 -2.559 32.982 1.00 0.00 C ATOM 209 C GLY A 12 17.158 -3.660 32.187 1.00 0.00 C ATOM 210 O GLY A 12 17.779 -4.647 31.799 1.00 0.00 O ATOM 0 H GLY A 12 16.455 -1.213 32.214 1.00 0.00 H new ATOM 0 HA2 GLY A 12 18.832 -2.343 32.530 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.057 -2.905 33.997 1.00 0.00 H new ATOM 214 N VAL A 13 15.867 -3.451 31.969 1.00 0.00 N ATOM 215 CA VAL A 13 15.069 -4.413 31.228 1.00 0.00 C ATOM 216 C VAL A 13 15.133 -4.081 29.736 1.00 0.00 C ATOM 217 O VAL A 13 15.045 -2.916 29.351 1.00 0.00 O ATOM 218 CB VAL A 13 13.640 -4.439 31.774 1.00 0.00 C ATOM 219 CG1 VAL A 13 12.804 -5.510 31.072 1.00 0.00 C ATOM 220 CG2 VAL A 13 13.636 -4.646 33.290 1.00 0.00 C ATOM 0 H VAL A 13 15.355 -2.630 32.292 1.00 0.00 H new ATOM 0 HA VAL A 13 15.469 -5.419 31.355 1.00 0.00 H new ATOM 0 HB VAL A 13 13.185 -3.470 31.567 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.793 -5.507 31.479 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.766 -5.299 30.003 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.257 -6.488 31.233 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.608 -4.661 33.653 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.119 -5.594 33.529 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.178 -3.831 33.770 1.00 0.00 H new ATOM 230 N LEU A 14 15.287 -5.125 28.935 1.00 0.00 N ATOM 231 CA LEU A 14 15.364 -4.959 27.494 1.00 0.00 C ATOM 232 C LEU A 14 14.008 -5.299 26.872 1.00 0.00 C ATOM 233 O LEU A 14 13.567 -6.447 26.925 1.00 0.00 O ATOM 234 CB LEU A 14 16.525 -5.774 26.921 1.00 0.00 C ATOM 235 CG LEU A 14 16.661 -5.770 25.397 1.00 0.00 C ATOM 236 CD1 LEU A 14 16.077 -4.488 24.799 1.00 0.00 C ATOM 237 CD2 LEU A 14 18.115 -5.989 24.976 1.00 0.00 C ATOM 0 H LEU A 14 15.361 -6.090 29.257 1.00 0.00 H new ATOM 0 HA LEU A 14 15.579 -3.921 27.242 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.454 -5.397 27.350 1.00 0.00 H new ATOM 0 HB3 LEU A 14 16.417 -6.806 27.253 1.00 0.00 H new ATOM 0 HG LEU A 14 16.082 -6.604 24.999 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.186 -4.510 23.715 1.00 0.00 H new ATOM 0 HD12 LEU A 14 15.020 -4.415 25.056 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.608 -3.625 25.200 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.184 -5.982 23.888 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.736 -5.192 25.384 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.463 -6.950 25.355 1.00 0.00 H new ATOM 249 N VAL A 15 13.384 -4.282 26.298 1.00 0.00 N ATOM 250 CA VAL A 15 12.087 -4.459 25.667 1.00 0.00 C ATOM 251 C VAL A 15 12.213 -4.189 24.166 1.00 0.00 C ATOM 252 O VAL A 15 12.112 -3.045 23.727 1.00 0.00 O ATOM 253 CB VAL A 15 11.047 -3.568 26.349 1.00 0.00 C ATOM 254 CG1 VAL A 15 9.629 -4.077 26.081 1.00 0.00 C ATOM 255 CG2 VAL A 15 11.317 -3.461 27.851 1.00 0.00 C ATOM 0 H VAL A 15 13.752 -3.332 26.256 1.00 0.00 H new ATOM 0 HA VAL A 15 11.743 -5.486 25.785 1.00 0.00 H new ATOM 0 HB VAL A 15 11.130 -2.569 25.922 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.909 -3.426 26.577 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.439 -4.077 25.008 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.527 -5.091 26.467 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.563 -2.822 28.312 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.275 -4.453 28.300 1.00 0.00 H new ATOM 0 HG23 VAL A 15 12.305 -3.031 28.013 1.00 0.00 H new ATOM 265 N ARG A 16 12.433 -5.262 23.421 1.00 0.00 N ATOM 266 CA ARG A 16 12.575 -5.156 21.979 1.00 0.00 C ATOM 267 C ARG A 16 11.248 -5.479 21.290 1.00 0.00 C ATOM 268 O ARG A 16 10.758 -6.605 21.374 1.00 0.00 O ATOM 269 CB ARG A 16 13.656 -6.106 21.460 1.00 0.00 C ATOM 270 CG ARG A 16 15.009 -5.803 22.107 1.00 0.00 C ATOM 271 CD ARG A 16 16.096 -6.733 21.565 1.00 0.00 C ATOM 272 NE ARG A 16 16.181 -6.608 20.092 1.00 0.00 N ATOM 273 CZ ARG A 16 16.998 -7.351 19.316 1.00 0.00 C ATOM 274 NH1 ARG A 16 17.809 -8.280 19.866 1.00 0.00 N ATOM 275 NH2 ARG A 16 16.993 -7.155 18.010 1.00 0.00 N ATOM 0 H ARG A 16 12.516 -6.210 23.789 1.00 0.00 H new ATOM 0 HA ARG A 16 12.868 -4.131 21.749 1.00 0.00 H new ATOM 0 HB2 ARG A 16 13.371 -7.137 21.671 1.00 0.00 H new ATOM 0 HB3 ARG A 16 13.738 -6.013 20.377 1.00 0.00 H new ATOM 0 HG2 ARG A 16 15.284 -4.766 21.915 1.00 0.00 H new ATOM 0 HG3 ARG A 16 14.933 -5.918 23.188 1.00 0.00 H new ATOM 0 HD2 ARG A 16 17.057 -6.484 22.015 1.00 0.00 H new ATOM 0 HD3 ARG A 16 15.873 -7.764 21.838 1.00 0.00 H new ATOM 0 HE ARG A 16 15.585 -5.917 19.635 1.00 0.00 H new ATOM 0 HH11 ARG A 16 17.807 -8.425 20.876 1.00 0.00 H new ATOM 0 HH12 ARG A 16 18.423 -8.837 19.272 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.378 -6.451 17.602 1.00 0.00 H new ATOM 0 HH22 ARG A 16 17.604 -7.708 17.409 1.00 0.00 H new ATOM 288 N TYR A 17 10.703 -4.472 20.623 1.00 0.00 N ATOM 289 CA TYR A 17 9.442 -4.635 19.920 1.00 0.00 C ATOM 290 C TYR A 17 9.675 -4.935 18.438 1.00 0.00 C ATOM 291 O TYR A 17 10.734 -4.621 17.897 1.00 0.00 O ATOM 292 CB TYR A 17 8.711 -3.297 20.048 1.00 0.00 C ATOM 293 CG TYR A 17 7.186 -3.420 20.074 1.00 0.00 C ATOM 294 CD1 TYR A 17 6.534 -3.675 21.263 1.00 0.00 C ATOM 295 CD2 TYR A 17 6.463 -3.277 18.907 1.00 0.00 C ATOM 296 CE1 TYR A 17 5.099 -3.791 21.287 1.00 0.00 C ATOM 297 CE2 TYR A 17 5.028 -3.393 18.931 1.00 0.00 C ATOM 298 CZ TYR A 17 4.417 -3.644 20.120 1.00 0.00 C ATOM 299 OH TYR A 17 3.061 -3.754 20.143 1.00 0.00 O ATOM 0 H TYR A 17 11.112 -3.540 20.555 1.00 0.00 H new ATOM 0 HA TYR A 17 8.873 -5.464 20.341 1.00 0.00 H new ATOM 0 HB2 TYR A 17 9.041 -2.801 20.961 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.999 -2.656 19.215 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.100 -3.788 22.176 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.973 -3.078 17.976 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.576 -3.990 22.211 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.450 -3.283 18.025 1.00 0.00 H new ATOM 0 HH TYR A 17 2.707 -3.625 19.238 1.00 0.00 H new ATOM 309 N ARG A 18 8.669 -5.539 17.824 1.00 0.00 N ATOM 310 CA ARG A 18 8.751 -5.885 16.415 1.00 0.00 C ATOM 311 C ARG A 18 7.361 -5.843 15.776 1.00 0.00 C ATOM 312 O ARG A 18 6.351 -5.865 16.477 1.00 0.00 O ATOM 313 CB ARG A 18 9.350 -7.280 16.224 1.00 0.00 C ATOM 314 CG ARG A 18 10.817 -7.311 16.660 1.00 0.00 C ATOM 315 CD ARG A 18 11.311 -8.750 16.822 1.00 0.00 C ATOM 316 NE ARG A 18 12.621 -8.761 17.509 1.00 0.00 N ATOM 317 CZ ARG A 18 13.491 -9.792 17.464 1.00 0.00 C ATOM 318 NH1 ARG A 18 13.196 -10.907 16.763 1.00 0.00 N ATOM 319 NH2 ARG A 18 14.634 -9.694 18.117 1.00 0.00 N ATOM 0 H ARG A 18 7.792 -5.798 18.276 1.00 0.00 H new ATOM 0 HA ARG A 18 9.399 -5.154 15.932 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.780 -8.007 16.802 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.272 -7.573 15.177 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.430 -6.793 15.922 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.931 -6.775 17.602 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.586 -9.330 17.394 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.400 -9.225 15.845 1.00 0.00 H new ATOM 0 HE ARG A 18 12.883 -7.938 18.051 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.310 -10.975 16.262 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.859 -11.682 16.734 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.849 -8.848 18.645 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.303 -10.464 18.093 1.00 0.00 H new ATOM 332 N ARG A 19 7.355 -5.785 14.452 1.00 0.00 N ATOM 333 CA ARG A 19 6.106 -5.739 13.711 1.00 0.00 C ATOM 334 C ARG A 19 6.383 -5.665 12.208 1.00 0.00 C ATOM 335 O ARG A 19 7.448 -5.210 11.792 1.00 0.00 O ATOM 336 CB ARG A 19 5.262 -4.533 14.128 1.00 0.00 C ATOM 337 CG ARG A 19 3.768 -4.831 13.977 1.00 0.00 C ATOM 338 CD ARG A 19 3.261 -4.408 12.598 1.00 0.00 C ATOM 339 NE ARG A 19 2.161 -3.428 12.742 1.00 0.00 N ATOM 340 CZ ARG A 19 2.343 -2.094 12.832 1.00 0.00 C ATOM 341 NH1 ARG A 19 3.585 -1.567 12.794 1.00 0.00 N ATOM 342 NH2 ARG A 19 1.287 -1.311 12.958 1.00 0.00 N ATOM 0 H ARG A 19 8.195 -5.769 13.874 1.00 0.00 H new ATOM 0 HA ARG A 19 5.552 -6.650 13.937 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.482 -4.271 15.163 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.528 -3.670 13.518 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.590 -5.896 14.123 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.209 -4.305 14.751 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.075 -3.971 12.020 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.912 -5.281 12.046 1.00 0.00 H new ATOM 0 HE ARG A 19 1.205 -3.783 12.775 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.396 -2.178 12.697 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.713 -0.557 12.863 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.352 -1.717 12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.407 -0.300 13.027 1.00 0.00 H new ATOM 355 N CYS A 20 5.407 -6.118 11.436 1.00 0.00 N ATOM 356 CA CYS A 20 5.532 -6.108 9.988 1.00 0.00 C ATOM 357 C CYS A 20 4.134 -5.953 9.386 1.00 0.00 C ATOM 358 O CYS A 20 3.134 -6.196 10.060 1.00 0.00 O ATOM 359 CB CYS A 20 6.240 -7.363 9.473 1.00 0.00 C ATOM 360 SG CYS A 20 7.997 -7.508 9.964 1.00 0.00 S ATOM 0 H CYS A 20 4.526 -6.495 11.785 1.00 0.00 H new ATOM 0 HA CYS A 20 6.154 -5.268 9.680 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.703 -8.240 9.834 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.179 -7.377 8.385 1.00 0.00 H new ATOM 365 N TRP A 21 4.109 -5.551 8.124 1.00 0.00 N ATOM 366 CA TRP A 21 2.851 -5.361 7.423 1.00 0.00 C ATOM 367 C TRP A 21 2.840 -6.293 6.210 1.00 0.00 C ATOM 368 O TRP A 21 2.590 -7.490 6.344 1.00 0.00 O ATOM 369 CB TRP A 21 2.647 -3.892 7.050 1.00 0.00 C ATOM 370 CG TRP A 21 1.583 -3.665 5.974 1.00 0.00 C ATOM 371 CD1 TRP A 21 0.355 -3.149 6.123 1.00 0.00 C ATOM 372 CD2 TRP A 21 1.704 -3.968 4.568 1.00 0.00 C ATOM 373 NE1 TRP A 21 -0.321 -3.099 4.921 1.00 0.00 N ATOM 374 CE2 TRP A 21 0.525 -3.613 3.946 1.00 0.00 C ATOM 375 CE3 TRP A 21 2.775 -4.525 3.846 1.00 0.00 C ATOM 376 CZ2 TRP A 21 0.304 -3.774 2.573 1.00 0.00 C ATOM 377 CZ3 TRP A 21 2.538 -4.681 2.475 1.00 0.00 C ATOM 378 CH2 TRP A 21 1.356 -4.328 1.834 1.00 0.00 C ATOM 0 H TRP A 21 4.941 -5.351 7.568 1.00 0.00 H new ATOM 0 HA TRP A 21 2.009 -5.617 8.066 1.00 0.00 H new ATOM 0 HB2 TRP A 21 2.368 -3.336 7.945 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.595 -3.481 6.702 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.054 -2.815 7.065 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.268 -2.749 4.775 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.707 -4.810 4.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.628 -3.486 2.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 3.328 -5.105 1.874 1.00 0.00 H new ATOM 0 HH2 TRP A 21 1.250 -4.481 0.770 1.00 0.00 H new TER 389 TRP A 21 ATOM 390 N ARG B 31 8.486 -0.403 3.287 1.00 0.00 N ATOM 391 CA ARG B 31 8.828 0.508 4.366 1.00 0.00 C ATOM 392 C ARG B 31 9.563 -0.240 5.480 1.00 0.00 C ATOM 393 O ARG B 31 9.231 -1.383 5.789 1.00 0.00 O ATOM 394 CB ARG B 31 7.576 1.169 4.946 1.00 0.00 C ATOM 395 CG ARG B 31 7.910 2.527 5.567 1.00 0.00 C ATOM 396 CD ARG B 31 7.795 3.647 4.532 1.00 0.00 C ATOM 397 NE ARG B 31 6.377 4.028 4.354 1.00 0.00 N ATOM 398 CZ ARG B 31 5.953 5.001 3.519 1.00 0.00 C ATOM 399 NH1 ARG B 31 6.838 5.701 2.777 1.00 0.00 N ATOM 400 NH2 ARG B 31 4.661 5.258 3.439 1.00 0.00 N ATOM 0 HA ARG B 31 9.476 1.281 3.954 1.00 0.00 H new ATOM 0 HB2 ARG B 31 6.831 1.298 4.160 1.00 0.00 H new ATOM 0 HB3 ARG B 31 7.134 0.519 5.701 1.00 0.00 H new ATOM 0 HG2 ARG B 31 7.235 2.726 6.400 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.921 2.506 5.974 1.00 0.00 H new ATOM 0 HD2 ARG B 31 8.375 4.512 4.854 1.00 0.00 H new ATOM 0 HD3 ARG B 31 8.214 3.319 3.581 1.00 0.00 H new ATOM 0 HE ARG B 31 5.675 3.524 4.896 1.00 0.00 H new ATOM 0 HH11 ARG B 31 7.835 5.496 2.845 1.00 0.00 H new ATOM 0 HH12 ARG B 31 6.509 6.434 2.149 1.00 0.00 H new ATOM 0 HH21 ARG B 31 3.999 4.725 4.003 1.00 0.00 H new ATOM 0 HH22 ARG B 31 4.324 5.990 2.813 1.00 0.00 H new ATOM 413 N TRP B 32 10.549 0.436 6.052 1.00 0.00 N ATOM 414 CA TRP B 32 11.334 -0.150 7.125 1.00 0.00 C ATOM 415 C TRP B 32 11.446 0.883 8.248 1.00 0.00 C ATOM 416 O TRP B 32 12.314 1.754 8.210 1.00 0.00 O ATOM 417 CB TRP B 32 12.694 -0.626 6.612 1.00 0.00 C ATOM 418 CG TRP B 32 12.707 -2.081 6.139 1.00 0.00 C ATOM 419 CD1 TRP B 32 12.655 -2.540 4.881 1.00 0.00 C ATOM 420 CD2 TRP B 32 12.779 -3.256 6.974 1.00 0.00 C ATOM 421 NE1 TRP B 32 12.688 -3.919 4.845 1.00 0.00 N ATOM 422 CE2 TRP B 32 12.765 -4.368 6.158 1.00 0.00 C ATOM 423 CE3 TRP B 32 12.852 -3.374 8.373 1.00 0.00 C ATOM 424 CZ2 TRP B 32 12.823 -5.679 6.647 1.00 0.00 C ATOM 425 CZ3 TRP B 32 12.909 -4.691 8.846 1.00 0.00 C ATOM 426 CH2 TRP B 32 12.897 -5.821 8.038 1.00 0.00 C ATOM 0 H TRP B 32 10.822 1.384 5.792 1.00 0.00 H new ATOM 0 HA TRP B 32 10.844 -1.040 7.519 1.00 0.00 H new ATOM 0 HB2 TRP B 32 13.005 0.016 5.788 1.00 0.00 H new ATOM 0 HB3 TRP B 32 13.432 -0.506 7.405 1.00 0.00 H new ATOM 0 HD1 TRP B 32 12.595 -1.910 4.006 1.00 0.00 H new ATOM 0 HE1 TRP B 32 12.661 -4.502 4.008 1.00 0.00 H new ATOM 0 HE3 TRP B 32 12.863 -2.517 9.031 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 12.811 -6.534 5.987 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 12.966 -4.839 9.914 1.00 0.00 H new ATOM 0 HH2 TRP B 32 12.945 -6.805 8.481 1.00 0.00 H new ATOM 437 N CYS B 33 10.556 0.753 9.220 1.00 0.00 N ATOM 438 CA CYS B 33 10.544 1.665 10.352 1.00 0.00 C ATOM 439 C CYS B 33 11.474 1.104 11.430 1.00 0.00 C ATOM 440 O CYS B 33 11.691 -0.105 11.500 1.00 0.00 O ATOM 441 CB CYS B 33 9.127 1.891 10.881 1.00 0.00 C ATOM 442 SG CYS B 33 8.244 3.307 10.130 1.00 0.00 S ATOM 0 H CYS B 33 9.837 0.030 9.248 1.00 0.00 H new ATOM 0 HA CYS B 33 10.904 2.645 10.037 1.00 0.00 H new ATOM 0 HB2 CYS B 33 8.543 0.986 10.713 1.00 0.00 H new ATOM 0 HB3 CYS B 33 9.177 2.042 11.959 1.00 0.00 H new ATOM 447 N VAL B 34 11.997 2.009 12.244 1.00 0.00 N ATOM 448 CA VAL B 34 12.898 1.620 13.316 1.00 0.00 C ATOM 449 C VAL B 34 12.768 2.614 14.471 1.00 0.00 C ATOM 450 O VAL B 34 13.001 3.809 14.296 1.00 0.00 O ATOM 451 CB VAL B 34 14.327 1.506 12.782 1.00 0.00 C ATOM 452 CG1 VAL B 34 14.362 0.716 11.472 1.00 0.00 C ATOM 453 CG2 VAL B 34 14.958 2.889 12.606 1.00 0.00 C ATOM 0 H VAL B 34 11.814 3.011 12.183 1.00 0.00 H new ATOM 0 HA VAL B 34 12.631 0.637 13.703 1.00 0.00 H new ATOM 0 HB VAL B 34 14.917 0.960 13.518 1.00 0.00 H new ATOM 0 HG11 VAL B 34 15.390 0.650 11.114 1.00 0.00 H new ATOM 0 HG12 VAL B 34 13.972 -0.287 11.642 1.00 0.00 H new ATOM 0 HG13 VAL B 34 13.750 1.222 10.726 1.00 0.00 H new ATOM 0 HG21 VAL B 34 15.974 2.780 12.225 1.00 0.00 H new ATOM 0 HG22 VAL B 34 14.366 3.472 11.900 1.00 0.00 H new ATOM 0 HG23 VAL B 34 14.984 3.402 13.567 1.00 0.00 H new ATOM 463 N TYR B 35 12.397 2.084 15.627 1.00 0.00 N ATOM 464 CA TYR B 35 12.233 2.909 16.812 1.00 0.00 C ATOM 465 C TYR B 35 12.795 2.209 18.050 1.00 0.00 C ATOM 466 O TYR B 35 12.279 1.175 18.471 1.00 0.00 O ATOM 467 CB TYR B 35 10.726 3.100 16.988 1.00 0.00 C ATOM 468 CG TYR B 35 10.344 4.372 17.747 1.00 0.00 C ATOM 469 CD1 TYR B 35 10.395 4.394 19.126 1.00 0.00 C ATOM 470 CD2 TYR B 35 9.949 5.497 17.053 1.00 0.00 C ATOM 471 CE1 TYR B 35 10.036 5.592 19.841 1.00 0.00 C ATOM 472 CE2 TYR B 35 9.589 6.695 17.768 1.00 0.00 C ATOM 473 CZ TYR B 35 9.650 6.683 19.127 1.00 0.00 C ATOM 474 OH TYR B 35 9.311 7.814 19.801 1.00 0.00 O ATOM 0 H TYR B 35 12.205 1.092 15.768 1.00 0.00 H new ATOM 0 HA TYR B 35 12.763 3.854 16.697 1.00 0.00 H new ATOM 0 HB2 TYR B 35 10.256 3.121 16.005 1.00 0.00 H new ATOM 0 HB3 TYR B 35 10.320 2.238 17.517 1.00 0.00 H new ATOM 0 HD1 TYR B 35 10.704 3.513 19.669 1.00 0.00 H new ATOM 0 HD2 TYR B 35 9.910 5.480 15.974 1.00 0.00 H new ATOM 0 HE1 TYR B 35 10.073 5.623 20.920 1.00 0.00 H new ATOM 0 HE2 TYR B 35 9.278 7.582 17.237 1.00 0.00 H new ATOM 0 HH TYR B 35 9.057 8.512 19.162 1.00 0.00 H new ATOM 484 N ALA B 36 13.847 2.800 18.599 1.00 0.00 N ATOM 485 CA ALA B 36 14.484 2.246 19.781 1.00 0.00 C ATOM 486 C ALA B 36 14.649 3.347 20.831 1.00 0.00 C ATOM 487 O ALA B 36 14.800 4.519 20.488 1.00 0.00 O ATOM 488 CB ALA B 36 15.819 1.609 19.390 1.00 0.00 C ATOM 0 H ALA B 36 14.274 3.657 18.247 1.00 0.00 H new ATOM 0 HA ALA B 36 13.865 1.463 20.219 1.00 0.00 H new ATOM 0 HB1 ALA B 36 16.297 1.193 20.277 1.00 0.00 H new ATOM 0 HB2 ALA B 36 15.644 0.814 18.665 1.00 0.00 H new ATOM 0 HB3 ALA B 36 16.468 2.366 18.949 1.00 0.00 H new ATOM 494 N TYR B 37 14.615 2.932 22.088 1.00 0.00 N ATOM 495 CA TYR B 37 14.758 3.868 23.190 1.00 0.00 C ATOM 496 C TYR B 37 15.647 3.287 24.292 1.00 0.00 C ATOM 497 O TYR B 37 15.147 2.791 25.300 1.00 0.00 O ATOM 498 CB TYR B 37 13.350 4.083 23.747 1.00 0.00 C ATOM 499 CG TYR B 37 13.203 5.345 24.599 1.00 0.00 C ATOM 500 CD1 TYR B 37 13.717 5.377 25.879 1.00 0.00 C ATOM 501 CD2 TYR B 37 12.557 6.452 24.087 1.00 0.00 C ATOM 502 CE1 TYR B 37 13.579 6.566 26.681 1.00 0.00 C ATOM 503 CE2 TYR B 37 12.419 7.640 24.889 1.00 0.00 C ATOM 504 CZ TYR B 37 12.937 7.638 26.146 1.00 0.00 C ATOM 505 OH TYR B 37 12.806 8.761 26.903 1.00 0.00 O ATOM 0 H TYR B 37 14.490 1.959 22.368 1.00 0.00 H new ATOM 0 HA TYR B 37 15.218 4.795 22.848 1.00 0.00 H new ATOM 0 HB2 TYR B 37 12.646 4.134 22.917 1.00 0.00 H new ATOM 0 HB3 TYR B 37 13.072 3.217 24.348 1.00 0.00 H new ATOM 0 HD1 TYR B 37 14.223 4.511 26.280 1.00 0.00 H new ATOM 0 HD2 TYR B 37 12.155 6.427 23.085 1.00 0.00 H new ATOM 0 HE1 TYR B 37 13.977 6.605 27.684 1.00 0.00 H new ATOM 0 HE2 TYR B 37 11.915 8.513 24.501 1.00 0.00 H new ATOM 0 HH TYR B 37 12.550 9.514 26.330 1.00 0.00 H new ATOM 515 N VAL B 38 16.949 3.368 24.062 1.00 0.00 N ATOM 516 CA VAL B 38 17.912 2.856 25.022 1.00 0.00 C ATOM 517 C VAL B 38 18.499 4.022 25.820 1.00 0.00 C ATOM 518 O VAL B 38 18.761 5.088 25.265 1.00 0.00 O ATOM 519 CB VAL B 38 18.977 2.027 24.303 1.00 0.00 C ATOM 520 CG1 VAL B 38 20.039 1.529 25.286 1.00 0.00 C ATOM 521 CG2 VAL B 38 18.344 0.860 23.543 1.00 0.00 C ATOM 0 H VAL B 38 17.360 3.781 23.225 1.00 0.00 H new ATOM 0 HA VAL B 38 17.425 2.188 25.733 1.00 0.00 H new ATOM 0 HB VAL B 38 19.469 2.672 23.575 1.00 0.00 H new ATOM 0 HG11 VAL B 38 20.785 0.942 24.750 1.00 0.00 H new ATOM 0 HG12 VAL B 38 20.522 2.382 25.762 1.00 0.00 H new ATOM 0 HG13 VAL B 38 19.567 0.908 26.047 1.00 0.00 H new ATOM 0 HG21 VAL B 38 19.124 0.287 23.041 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.813 0.215 24.243 1.00 0.00 H new ATOM 0 HG23 VAL B 38 17.643 1.245 22.802 1.00 0.00 H new ATOM 531 N ARG B 39 18.688 3.780 27.109 1.00 0.00 N ATOM 532 CA ARG B 39 19.240 4.797 27.988 1.00 0.00 C ATOM 533 C ARG B 39 20.224 4.167 28.975 1.00 0.00 C ATOM 534 O ARG B 39 19.947 3.114 29.548 1.00 0.00 O ATOM 535 CB ARG B 39 18.133 5.510 28.767 1.00 0.00 C ATOM 536 CG ARG B 39 18.633 6.840 29.336 1.00 0.00 C ATOM 537 CD ARG B 39 17.539 7.532 30.152 1.00 0.00 C ATOM 538 NE ARG B 39 17.975 7.680 31.559 1.00 0.00 N ATOM 539 CZ ARG B 39 18.674 8.735 32.028 1.00 0.00 C ATOM 540 NH1 ARG B 39 19.023 9.746 31.205 1.00 0.00 N ATOM 541 NH2 ARG B 39 19.011 8.763 33.304 1.00 0.00 N ATOM 0 H ARG B 39 18.469 2.895 27.566 1.00 0.00 H new ATOM 0 HA ARG B 39 19.760 5.527 27.367 1.00 0.00 H new ATOM 0 HB2 ARG B 39 17.280 5.688 28.113 1.00 0.00 H new ATOM 0 HB3 ARG B 39 17.785 4.871 29.578 1.00 0.00 H new ATOM 0 HG2 ARG B 39 19.506 6.666 29.965 1.00 0.00 H new ATOM 0 HG3 ARG B 39 18.952 7.491 28.522 1.00 0.00 H new ATOM 0 HD2 ARG B 39 17.320 8.511 29.726 1.00 0.00 H new ATOM 0 HD3 ARG B 39 16.618 6.951 30.107 1.00 0.00 H new ATOM 0 HE ARG B 39 17.732 6.938 32.215 1.00 0.00 H new ATOM 0 HH11 ARG B 39 18.758 9.717 30.220 1.00 0.00 H new ATOM 0 HH12 ARG B 39 19.551 10.540 31.568 1.00 0.00 H new ATOM 0 HH21 ARG B 39 18.743 7.995 33.919 1.00 0.00 H new ATOM 0 HH22 ARG B 39 19.539 9.553 33.675 1.00 0.00 H new ATOM 554 N ILE B 40 21.354 4.838 29.145 1.00 0.00 N ATOM 555 CA ILE B 40 22.382 4.358 30.053 1.00 0.00 C ATOM 556 C ILE B 40 23.154 5.551 30.620 1.00 0.00 C ATOM 557 O ILE B 40 23.142 6.635 30.039 1.00 0.00 O ATOM 558 CB ILE B 40 23.270 3.324 29.358 1.00 0.00 C ATOM 559 CG1 ILE B 40 22.603 1.947 29.345 1.00 0.00 C ATOM 560 CG2 ILE B 40 24.661 3.282 29.993 1.00 0.00 C ATOM 561 CD1 ILE B 40 23.584 0.859 29.785 1.00 0.00 C ATOM 0 H ILE B 40 21.580 5.711 28.669 1.00 0.00 H new ATOM 0 HA ILE B 40 21.931 3.839 30.899 1.00 0.00 H new ATOM 0 HB ILE B 40 23.399 3.628 28.319 1.00 0.00 H new ATOM 0 HG12 ILE B 40 21.738 1.952 30.008 1.00 0.00 H new ATOM 0 HG13 ILE B 40 22.235 1.726 28.343 1.00 0.00 H new ATOM 0 HG21 ILE B 40 25.273 2.539 29.481 1.00 0.00 H new ATOM 0 HG22 ILE B 40 25.131 4.262 29.905 1.00 0.00 H new ATOM 0 HG23 ILE B 40 24.572 3.015 31.046 1.00 0.00 H new ATOM 0 HD11 ILE B 40 23.085 -0.110 29.767 1.00 0.00 H new ATOM 0 HD12 ILE B 40 24.436 0.841 29.105 1.00 0.00 H new ATOM 0 HD13 ILE B 40 23.931 1.070 30.797 1.00 0.00 H new ATOM 573 N ARG B 41 23.806 5.311 31.748 1.00 0.00 N ATOM 574 CA ARG B 41 24.582 6.352 32.400 1.00 0.00 C ATOM 575 C ARG B 41 23.716 7.592 32.633 1.00 0.00 C ATOM 576 O ARG B 41 23.162 7.771 33.717 1.00 0.00 O ATOM 577 CB ARG B 41 25.800 6.740 31.558 1.00 0.00 C ATOM 578 CG ARG B 41 26.845 5.623 31.560 1.00 0.00 C ATOM 579 CD ARG B 41 27.705 5.679 32.824 1.00 0.00 C ATOM 580 NE ARG B 41 28.463 6.950 32.865 1.00 0.00 N ATOM 581 CZ ARG B 41 29.389 7.249 33.800 1.00 0.00 C ATOM 582 NH1 ARG B 41 29.680 6.370 34.783 1.00 0.00 N ATOM 583 NH2 ARG B 41 30.006 8.415 33.740 1.00 0.00 N ATOM 0 H ARG B 41 23.813 4.411 32.227 1.00 0.00 H new ATOM 0 HA ARG B 41 24.926 5.959 33.357 1.00 0.00 H new ATOM 0 HB2 ARG B 41 25.488 6.949 30.535 1.00 0.00 H new ATOM 0 HB3 ARG B 41 26.241 7.656 31.950 1.00 0.00 H new ATOM 0 HG2 ARG B 41 26.348 4.655 31.497 1.00 0.00 H new ATOM 0 HG3 ARG B 41 27.481 5.713 30.679 1.00 0.00 H new ATOM 0 HD2 ARG B 41 27.073 5.594 33.708 1.00 0.00 H new ATOM 0 HD3 ARG B 41 28.394 4.834 32.843 1.00 0.00 H new ATOM 0 HE ARG B 41 28.273 7.643 32.141 1.00 0.00 H new ATOM 0 HH11 ARG B 41 29.198 5.472 34.823 1.00 0.00 H new ATOM 0 HH12 ARG B 41 30.381 6.604 35.486 1.00 0.00 H new ATOM 0 HH21 ARG B 41 29.780 9.074 32.995 1.00 0.00 H new ATOM 0 HH22 ARG B 41 30.709 8.657 34.439 1.00 0.00 H new ATOM 596 N GLY B 42 23.627 8.415 31.599 1.00 0.00 N ATOM 597 CA GLY B 42 22.838 9.633 31.678 1.00 0.00 C ATOM 598 C GLY B 42 22.552 10.192 30.283 1.00 0.00 C ATOM 599 O GLY B 42 22.364 11.397 30.120 1.00 0.00 O ATOM 0 H GLY B 42 24.088 8.263 30.702 1.00 0.00 H new ATOM 0 HA2 GLY B 42 21.898 9.429 32.192 1.00 0.00 H new ATOM 0 HA3 GLY B 42 23.370 10.378 32.270 1.00 0.00 H new ATOM 603 N VAL B 43 22.529 9.291 29.312 1.00 0.00 N ATOM 604 CA VAL B 43 22.269 9.680 27.936 1.00 0.00 C ATOM 605 C VAL B 43 21.220 8.742 27.335 1.00 0.00 C ATOM 606 O VAL B 43 21.400 7.525 27.332 1.00 0.00 O ATOM 607 CB VAL B 43 23.577 9.701 27.143 1.00 0.00 C ATOM 608 CG1 VAL B 43 23.528 10.752 26.032 1.00 0.00 C ATOM 609 CG2 VAL B 43 24.775 9.934 28.066 1.00 0.00 C ATOM 0 H VAL B 43 22.686 8.293 29.451 1.00 0.00 H new ATOM 0 HA VAL B 43 21.863 10.691 27.894 1.00 0.00 H new ATOM 0 HB VAL B 43 23.700 8.724 26.675 1.00 0.00 H new ATOM 0 HG11 VAL B 43 24.470 10.746 25.484 1.00 0.00 H new ATOM 0 HG12 VAL B 43 22.710 10.522 25.350 1.00 0.00 H new ATOM 0 HG13 VAL B 43 23.369 11.737 26.470 1.00 0.00 H new ATOM 0 HG21 VAL B 43 25.692 9.944 27.477 1.00 0.00 H new ATOM 0 HG22 VAL B 43 24.661 10.890 28.576 1.00 0.00 H new ATOM 0 HG23 VAL B 43 24.827 9.133 28.804 1.00 0.00 H new ATOM 619 N LEU B 44 20.149 9.344 26.841 1.00 0.00 N ATOM 620 CA LEU B 44 19.071 8.578 26.238 1.00 0.00 C ATOM 621 C LEU B 44 19.203 8.631 24.715 1.00 0.00 C ATOM 622 O LEU B 44 19.085 9.698 24.115 1.00 0.00 O ATOM 623 CB LEU B 44 17.715 9.063 26.755 1.00 0.00 C ATOM 624 CG LEU B 44 16.539 8.925 25.785 1.00 0.00 C ATOM 625 CD1 LEU B 44 16.356 7.471 25.348 1.00 0.00 C ATOM 626 CD2 LEU B 44 15.260 9.508 26.389 1.00 0.00 C ATOM 0 H LEU B 44 20.004 10.354 26.846 1.00 0.00 H new ATOM 0 HA LEU B 44 19.140 7.530 26.528 1.00 0.00 H new ATOM 0 HB2 LEU B 44 17.477 8.511 27.664 1.00 0.00 H new ATOM 0 HB3 LEU B 44 17.809 10.112 27.034 1.00 0.00 H new ATOM 0 HG LEU B 44 16.765 9.503 24.889 1.00 0.00 H new ATOM 0 HD11 LEU B 44 15.514 7.401 24.659 1.00 0.00 H new ATOM 0 HD12 LEU B 44 17.262 7.124 24.850 1.00 0.00 H new ATOM 0 HD13 LEU B 44 16.162 6.850 26.222 1.00 0.00 H new ATOM 0 HD21 LEU B 44 14.440 9.397 25.680 1.00 0.00 H new ATOM 0 HD22 LEU B 44 15.018 8.977 27.310 1.00 0.00 H new ATOM 0 HD23 LEU B 44 15.410 10.565 26.608 1.00 0.00 H new ATOM 638 N VAL B 45 19.447 7.465 24.133 1.00 0.00 N ATOM 639 CA VAL B 45 19.596 7.366 22.691 1.00 0.00 C ATOM 640 C VAL B 45 18.280 6.881 22.079 1.00 0.00 C ATOM 641 O VAL B 45 17.934 5.707 22.192 1.00 0.00 O ATOM 642 CB VAL B 45 20.783 6.462 22.350 1.00 0.00 C ATOM 643 CG1 VAL B 45 21.261 6.704 20.917 1.00 0.00 C ATOM 644 CG2 VAL B 45 21.925 6.656 23.349 1.00 0.00 C ATOM 0 H VAL B 45 19.545 6.582 24.634 1.00 0.00 H new ATOM 0 HA VAL B 45 19.814 8.343 22.261 1.00 0.00 H new ATOM 0 HB VAL B 45 20.448 5.427 22.422 1.00 0.00 H new ATOM 0 HG11 VAL B 45 22.105 6.049 20.700 1.00 0.00 H new ATOM 0 HG12 VAL B 45 20.449 6.492 20.222 1.00 0.00 H new ATOM 0 HG13 VAL B 45 21.570 7.743 20.807 1.00 0.00 H new ATOM 0 HG21 VAL B 45 22.756 6.002 23.084 1.00 0.00 H new ATOM 0 HG22 VAL B 45 22.258 7.694 23.324 1.00 0.00 H new ATOM 0 HG23 VAL B 45 21.576 6.411 24.352 1.00 0.00 H new ATOM 654 N ARG B 46 17.583 7.812 21.443 1.00 0.00 N ATOM 655 CA ARG B 46 16.313 7.494 20.813 1.00 0.00 C ATOM 656 C ARG B 46 16.451 7.539 19.289 1.00 0.00 C ATOM 657 O ARG B 46 16.687 8.601 18.715 1.00 0.00 O ATOM 658 CB ARG B 46 15.222 8.474 21.248 1.00 0.00 C ATOM 659 CG ARG B 46 15.186 8.613 22.772 1.00 0.00 C ATOM 660 CD ARG B 46 14.329 9.809 23.193 1.00 0.00 C ATOM 661 NE ARG B 46 15.175 10.831 23.850 1.00 0.00 N ATOM 662 CZ ARG B 46 14.714 11.735 24.741 1.00 0.00 C ATOM 663 NH1 ARG B 46 13.410 11.752 25.088 1.00 0.00 N ATOM 664 NH2 ARG B 46 15.559 12.603 25.266 1.00 0.00 N ATOM 0 H ARG B 46 17.874 8.785 21.351 1.00 0.00 H new ATOM 0 HA ARG B 46 16.029 6.489 21.127 1.00 0.00 H new ATOM 0 HB2 ARG B 46 15.402 9.449 20.794 1.00 0.00 H new ATOM 0 HB3 ARG B 46 14.253 8.129 20.888 1.00 0.00 H new ATOM 0 HG2 ARG B 46 14.786 7.701 23.215 1.00 0.00 H new ATOM 0 HG3 ARG B 46 16.200 8.735 23.154 1.00 0.00 H new ATOM 0 HD2 ARG B 46 13.836 10.239 22.321 1.00 0.00 H new ATOM 0 HD3 ARG B 46 13.543 9.482 23.874 1.00 0.00 H new ATOM 0 HE ARG B 46 16.167 10.854 23.615 1.00 0.00 H new ATOM 0 HH11 ARG B 46 12.764 11.078 24.676 1.00 0.00 H new ATOM 0 HH12 ARG B 46 13.070 12.438 25.762 1.00 0.00 H new ATOM 0 HH21 ARG B 46 16.543 12.584 24.997 1.00 0.00 H new ATOM 0 HH22 ARG B 46 15.228 13.293 25.941 1.00 0.00 H new ATOM 677 N TYR B 47 16.297 6.374 18.679 1.00 0.00 N ATOM 678 CA TYR B 47 16.401 6.267 17.233 1.00 0.00 C ATOM 679 C TYR B 47 15.016 6.217 16.586 1.00 0.00 C ATOM 680 O TYR B 47 14.129 5.509 17.063 1.00 0.00 O ATOM 681 CB TYR B 47 17.127 4.949 16.959 1.00 0.00 C ATOM 682 CG TYR B 47 17.326 4.645 15.473 1.00 0.00 C ATOM 683 CD1 TYR B 47 17.421 5.679 14.564 1.00 0.00 C ATOM 684 CD2 TYR B 47 17.410 3.337 15.041 1.00 0.00 C ATOM 685 CE1 TYR B 47 17.608 5.393 13.165 1.00 0.00 C ATOM 686 CE2 TYR B 47 17.597 3.051 13.642 1.00 0.00 C ATOM 687 CZ TYR B 47 17.687 4.093 12.773 1.00 0.00 C ATOM 688 OH TYR B 47 17.863 3.823 11.452 1.00 0.00 O ATOM 0 H TYR B 47 16.101 5.496 19.159 1.00 0.00 H new ATOM 0 HA TYR B 47 16.928 7.128 16.821 1.00 0.00 H new ATOM 0 HB2 TYR B 47 18.101 4.974 17.448 1.00 0.00 H new ATOM 0 HB3 TYR B 47 16.563 4.134 17.414 1.00 0.00 H new ATOM 0 HD1 TYR B 47 17.355 6.703 14.902 1.00 0.00 H new ATOM 0 HD2 TYR B 47 17.335 2.528 15.752 1.00 0.00 H new ATOM 0 HE1 TYR B 47 17.684 6.193 12.443 1.00 0.00 H new ATOM 0 HE2 TYR B 47 17.664 2.032 13.291 1.00 0.00 H new ATOM 0 HH TYR B 47 18.139 2.889 11.343 1.00 0.00 H new ATOM 698 N ARG B 48 14.873 6.976 15.510 1.00 0.00 N ATOM 699 CA ARG B 48 13.610 7.027 14.792 1.00 0.00 C ATOM 700 C ARG B 48 13.854 7.310 13.308 1.00 0.00 C ATOM 701 O ARG B 48 14.452 8.326 12.957 1.00 0.00 O ATOM 702 CB ARG B 48 12.693 8.108 15.367 1.00 0.00 C ATOM 703 CG ARG B 48 11.644 8.539 14.340 1.00 0.00 C ATOM 704 CD ARG B 48 11.973 9.919 13.766 1.00 0.00 C ATOM 705 NE ARG B 48 11.939 10.936 14.841 1.00 0.00 N ATOM 706 CZ ARG B 48 12.508 12.156 14.746 1.00 0.00 C ATOM 707 NH1 ARG B 48 13.162 12.522 13.623 1.00 0.00 N ATOM 708 NH2 ARG B 48 12.416 12.986 15.768 1.00 0.00 N ATOM 0 H ARG B 48 15.611 7.561 15.117 1.00 0.00 H new ATOM 0 HA ARG B 48 13.125 6.058 14.905 1.00 0.00 H new ATOM 0 HB2 ARG B 48 12.198 7.732 16.262 1.00 0.00 H new ATOM 0 HB3 ARG B 48 13.287 8.970 15.670 1.00 0.00 H new ATOM 0 HG2 ARG B 48 11.598 7.807 13.533 1.00 0.00 H new ATOM 0 HG3 ARG B 48 10.660 8.561 14.808 1.00 0.00 H new ATOM 0 HD2 ARG B 48 12.959 9.903 13.301 1.00 0.00 H new ATOM 0 HD3 ARG B 48 11.257 10.178 12.986 1.00 0.00 H new ATOM 0 HE ARG B 48 11.455 10.700 15.708 1.00 0.00 H new ATOM 0 HH11 ARG B 48 13.229 11.874 12.838 1.00 0.00 H new ATOM 0 HH12 ARG B 48 13.589 13.446 13.560 1.00 0.00 H new ATOM 0 HH21 ARG B 48 11.921 12.702 16.613 1.00 0.00 H new ATOM 0 HH22 ARG B 48 12.840 13.912 15.713 1.00 0.00 H new ATOM 721 N ARG B 49 13.378 6.394 12.478 1.00 0.00 N ATOM 722 CA ARG B 49 13.537 6.533 11.040 1.00 0.00 C ATOM 723 C ARG B 49 12.782 5.419 10.312 1.00 0.00 C ATOM 724 O ARG B 49 12.636 4.317 10.839 1.00 0.00 O ATOM 725 CB ARG B 49 15.014 6.484 10.642 1.00 0.00 C ATOM 726 CG ARG B 49 15.207 6.945 9.196 1.00 0.00 C ATOM 727 CD ARG B 49 14.845 5.831 8.212 1.00 0.00 C ATOM 728 NE ARG B 49 16.009 5.517 7.352 1.00 0.00 N ATOM 729 CZ ARG B 49 16.307 6.176 6.212 1.00 0.00 C ATOM 730 NH1 ARG B 49 15.528 7.192 5.784 1.00 0.00 N ATOM 731 NH2 ARG B 49 17.372 5.811 5.522 1.00 0.00 N ATOM 0 H ARG B 49 12.882 5.553 12.773 1.00 0.00 H new ATOM 0 HA ARG B 49 13.127 7.501 10.753 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.596 7.118 11.311 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.392 5.468 10.757 1.00 0.00 H new ATOM 0 HG2 ARG B 49 14.587 7.820 9.004 1.00 0.00 H new ATOM 0 HG3 ARG B 49 16.243 7.248 9.042 1.00 0.00 H new ATOM 0 HD2 ARG B 49 14.534 4.940 8.757 1.00 0.00 H new ATOM 0 HD3 ARG B 49 14.000 6.139 7.596 1.00 0.00 H new ATOM 0 HE ARG B 49 16.624 4.755 7.639 1.00 0.00 H new ATOM 0 HH11 ARG B 49 14.707 7.467 6.323 1.00 0.00 H new ATOM 0 HH12 ARG B 49 15.760 7.685 4.922 1.00 0.00 H new ATOM 0 HH21 ARG B 49 17.955 5.042 5.853 1.00 0.00 H new ATOM 0 HH22 ARG B 49 17.612 6.298 4.658 1.00 0.00 H new ATOM 744 N CYS B 50 12.322 5.745 9.114 1.00 0.00 N ATOM 745 CA CYS B 50 11.585 4.785 8.309 1.00 0.00 C ATOM 746 C CYS B 50 12.031 4.937 6.853 1.00 0.00 C ATOM 747 O CYS B 50 12.187 6.054 6.361 1.00 0.00 O ATOM 748 CB CYS B 50 10.073 4.959 8.464 1.00 0.00 C ATOM 749 SG CYS B 50 9.468 4.912 10.190 1.00 0.00 S ATOM 0 H CYS B 50 12.445 6.660 8.681 1.00 0.00 H new ATOM 0 HA CYS B 50 11.805 3.774 8.652 1.00 0.00 H new ATOM 0 HB2 CYS B 50 9.783 5.911 8.018 1.00 0.00 H new ATOM 0 HB3 CYS B 50 9.571 4.175 7.897 1.00 0.00 H new ATOM 754 N TRP B 51 12.223 3.798 6.204 1.00 0.00 N ATOM 755 CA TRP B 51 12.647 3.791 4.814 1.00 0.00 C ATOM 756 C TRP B 51 11.473 3.302 3.964 1.00 0.00 C ATOM 757 O TRP B 51 10.351 3.190 4.455 1.00 0.00 O ATOM 758 CB TRP B 51 13.910 2.946 4.631 1.00 0.00 C ATOM 759 CG TRP B 51 14.154 2.496 3.190 1.00 0.00 C ATOM 760 CD1 TRP B 51 15.069 2.955 2.325 1.00 0.00 C ATOM 761 CD2 TRP B 51 13.431 1.472 2.475 1.00 0.00 C ATOM 762 NE1 TRP B 51 14.989 2.305 1.111 1.00 0.00 N ATOM 763 CE2 TRP B 51 13.961 1.374 1.205 1.00 0.00 C ATOM 764 CE3 TRP B 51 12.364 0.654 2.888 1.00 0.00 C ATOM 765 CZ2 TRP B 51 13.489 0.472 0.244 1.00 0.00 C ATOM 766 CZ3 TRP B 51 11.903 -0.242 1.916 1.00 0.00 C ATOM 767 CH2 TRP B 51 12.426 -0.352 0.633 1.00 0.00 C ATOM 0 H TRP B 51 12.093 2.874 6.615 1.00 0.00 H new ATOM 0 HA TRP B 51 12.918 4.795 4.488 1.00 0.00 H new ATOM 0 HB2 TRP B 51 14.771 3.520 4.972 1.00 0.00 H new ATOM 0 HB3 TRP B 51 13.841 2.065 5.269 1.00 0.00 H new ATOM 0 HD1 TRP B 51 15.780 3.736 2.550 1.00 0.00 H new ATOM 0 HE1 TRP B 51 15.576 2.476 0.295 1.00 0.00 H new ATOM 0 HE3 TRP B 51 11.934 0.712 3.877 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 13.921 0.415 -0.744 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 11.084 -0.893 2.182 1.00 0.00 H new ATOM 0 HH2 TRP B 51 12.014 -1.070 -0.061 1.00 0.00 H new TER 778 TRP B 51