USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 250 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 Set 1.1: A 28 LYS NZ :NH3+ -123:sc= 0.188 (180deg=0) USER MOD Set 1.2: A 30 TYR OH : rot 30:sc= -0.46 USER MOD Set 2.1: A 5 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.0838 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -2.87 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -4.48! C(o=-4.5!,f=-10!) USER MOD Single : A 25 ASN : amide:sc= -3.09! C(o=-3.1!,f=-3.8!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.274 4.792 9.847 1.00 0.00 N ATOM 2 CA ALA A 1 -13.284 3.914 8.648 1.00 0.00 C ATOM 3 C ALA A 1 -12.172 2.874 8.722 1.00 0.00 C ATOM 4 O ALA A 1 -11.299 2.945 9.588 1.00 0.00 O ATOM 5 CB ALA A 1 -13.143 4.748 7.384 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.155 4.658 10.383 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.462 4.548 10.449 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.197 5.785 9.549 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.238 3.388 8.620 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.152 4.093 6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.973 5.451 7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.203 5.299 7.414 1.00 0.00 H new ATOM 13 N VAL A 2 -12.209 1.909 7.809 1.00 0.00 N ATOM 14 CA VAL A 2 -11.202 0.853 7.773 1.00 0.00 C ATOM 15 C VAL A 2 -10.103 1.179 6.772 1.00 0.00 C ATOM 16 O VAL A 2 -10.213 2.123 5.991 1.00 0.00 O ATOM 17 CB VAL A 2 -11.811 -0.519 7.411 1.00 0.00 C ATOM 18 CG1 VAL A 2 -11.057 -1.636 8.116 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.293 -0.570 7.757 1.00 0.00 C ATOM 0 H VAL A 2 -12.924 1.836 7.085 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.783 0.796 8.777 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.714 -0.659 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.498 -2.597 7.851 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.011 -1.620 7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.120 -1.493 9.195 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -13.695 -1.548 7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.423 -0.403 8.826 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.823 0.204 7.202 1.00 0.00 H new ATOM 29 N CYS A 3 -9.042 0.386 6.808 1.00 0.00 N ATOM 30 CA CYS A 3 -7.909 0.575 5.911 1.00 0.00 C ATOM 31 C CYS A 3 -8.260 0.159 4.487 1.00 0.00 C ATOM 32 O CYS A 3 -8.722 -0.958 4.252 1.00 0.00 O ATOM 33 CB CYS A 3 -6.708 -0.231 6.407 1.00 0.00 C ATOM 34 SG CYS A 3 -5.224 -0.080 5.359 1.00 0.00 S ATOM 0 H CYS A 3 -8.941 -0.399 7.452 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.656 1.635 5.904 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.460 0.092 7.418 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.990 -1.282 6.469 1.00 0.00 H new ATOM 39 N VAL A 4 -8.032 1.061 3.538 1.00 0.00 N ATOM 40 CA VAL A 4 -8.318 0.782 2.137 1.00 0.00 C ATOM 41 C VAL A 4 -7.057 0.326 1.410 1.00 0.00 C ATOM 42 O VAL A 4 -6.044 1.024 1.404 1.00 0.00 O ATOM 43 CB VAL A 4 -8.898 2.016 1.418 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.513 1.616 0.086 1.00 0.00 C ATOM 45 CG2 VAL A 4 -9.925 2.716 2.297 1.00 0.00 C ATOM 0 H VAL A 4 -7.650 1.990 3.714 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.062 -0.015 2.116 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.084 2.715 1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.918 2.499 -0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.749 1.165 -0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.314 0.897 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.322 3.584 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.738 2.027 2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.451 3.039 3.224 1.00 0.00 H new ATOM 55 N TYR A 5 -7.126 -0.856 0.810 1.00 0.00 N ATOM 56 CA TYR A 5 -5.990 -1.420 0.090 1.00 0.00 C ATOM 57 C TYR A 5 -5.590 -0.545 -1.098 1.00 0.00 C ATOM 58 O TYR A 5 -4.417 -0.214 -1.267 1.00 0.00 O ATOM 59 CB TYR A 5 -6.326 -2.839 -0.378 1.00 0.00 C ATOM 60 CG TYR A 5 -5.498 -3.326 -1.549 1.00 0.00 C ATOM 61 CD1 TYR A 5 -4.113 -3.228 -1.535 1.00 0.00 C ATOM 62 CD2 TYR A 5 -6.105 -3.882 -2.669 1.00 0.00 C ATOM 63 CE1 TYR A 5 -3.355 -3.670 -2.603 1.00 0.00 C ATOM 64 CE2 TYR A 5 -5.354 -4.327 -3.740 1.00 0.00 C ATOM 65 CZ TYR A 5 -3.980 -4.219 -3.702 1.00 0.00 C ATOM 66 OH TYR A 5 -3.229 -4.660 -4.768 1.00 0.00 O ATOM 0 H TYR A 5 -7.959 -1.444 0.808 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.139 -1.458 0.770 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.190 -3.526 0.458 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.380 -2.877 -0.653 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.620 -2.799 -0.675 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.181 -3.968 -2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.279 -3.586 -2.576 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.841 -4.757 -4.603 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.823 -5.020 -5.460 1.00 0.00 H new ATOM 76 N ARG A 6 -6.565 -0.190 -1.925 1.00 0.00 N ATOM 77 CA ARG A 6 -6.311 0.627 -3.105 1.00 0.00 C ATOM 78 C ARG A 6 -5.838 2.032 -2.738 1.00 0.00 C ATOM 79 O ARG A 6 -4.978 2.600 -3.413 1.00 0.00 O ATOM 80 CB ARG A 6 -7.572 0.714 -3.959 1.00 0.00 C ATOM 81 CG ARG A 6 -7.295 0.778 -5.453 1.00 0.00 C ATOM 82 CD ARG A 6 -8.532 1.193 -6.234 1.00 0.00 C ATOM 83 NE ARG A 6 -9.090 0.084 -7.005 1.00 0.00 N ATOM 84 CZ ARG A 6 -10.162 0.191 -7.788 1.00 0.00 C ATOM 85 NH1 ARG A 6 -10.794 1.352 -7.905 1.00 0.00 N ATOM 86 NH2 ARG A 6 -10.602 -0.867 -8.456 1.00 0.00 N ATOM 0 H ARG A 6 -7.542 -0.456 -1.800 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.513 0.146 -3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.201 -0.152 -3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.139 1.597 -3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.489 1.486 -5.644 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.953 -0.196 -5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.287 1.571 -5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.278 2.011 -6.908 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.632 -0.825 -6.940 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -10.459 2.169 -7.394 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.614 1.428 -8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.119 -1.761 -8.370 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.423 -0.786 -9.056 1.00 0.00 H new ATOM 100 N THR A 7 -6.400 2.590 -1.671 1.00 0.00 N ATOM 101 CA THR A 7 -6.030 3.928 -1.234 1.00 0.00 C ATOM 102 C THR A 7 -4.669 3.909 -0.562 1.00 0.00 C ATOM 103 O THR A 7 -3.830 4.776 -0.804 1.00 0.00 O ATOM 104 CB THR A 7 -7.081 4.485 -0.272 1.00 0.00 C ATOM 105 OG1 THR A 7 -8.372 4.014 -0.613 1.00 0.00 O ATOM 106 CG2 THR A 7 -7.133 5.997 -0.253 1.00 0.00 C ATOM 0 H THR A 7 -7.110 2.137 -1.096 1.00 0.00 H new ATOM 0 HA THR A 7 -5.979 4.573 -2.111 1.00 0.00 H new ATOM 0 HB THR A 7 -6.782 4.136 0.716 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.030 4.380 0.015 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.899 6.326 0.449 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.164 6.391 0.056 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.373 6.365 -1.250 1.00 0.00 H new ATOM 114 N CYS A 8 -4.454 2.904 0.274 1.00 0.00 N ATOM 115 CA CYS A 8 -3.189 2.762 0.976 1.00 0.00 C ATOM 116 C CYS A 8 -2.095 2.331 0.008 1.00 0.00 C ATOM 117 O CYS A 8 -0.936 2.724 0.145 1.00 0.00 O ATOM 118 CB CYS A 8 -3.323 1.747 2.110 1.00 0.00 C ATOM 119 SG CYS A 8 -2.060 1.920 3.413 1.00 0.00 S ATOM 0 H CYS A 8 -5.138 2.177 0.482 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.917 3.727 1.403 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.311 1.849 2.560 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.265 0.742 1.693 1.00 0.00 H new ATOM 124 N ASP A 9 -2.478 1.528 -0.979 1.00 0.00 N ATOM 125 CA ASP A 9 -1.540 1.047 -1.981 1.00 0.00 C ATOM 126 C ASP A 9 -1.066 2.194 -2.865 1.00 0.00 C ATOM 127 O ASP A 9 0.133 2.378 -3.068 1.00 0.00 O ATOM 128 CB ASP A 9 -2.186 -0.042 -2.841 1.00 0.00 C ATOM 129 CG ASP A 9 -1.229 -0.611 -3.871 1.00 0.00 C ATOM 130 OD1 ASP A 9 -0.714 0.171 -4.698 1.00 0.00 O ATOM 131 OD2 ASP A 9 -0.996 -1.837 -3.851 1.00 0.00 O ATOM 0 H ASP A 9 -3.435 1.197 -1.105 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.679 0.623 -1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.542 -0.846 -2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.058 0.370 -3.348 1.00 0.00 H new ATOM 136 N LYS A 10 -2.016 2.963 -3.392 1.00 0.00 N ATOM 137 CA LYS A 10 -1.689 4.091 -4.255 1.00 0.00 C ATOM 138 C LYS A 10 -0.912 5.160 -3.495 1.00 0.00 C ATOM 139 O LYS A 10 0.164 5.578 -3.925 1.00 0.00 O ATOM 140 CB LYS A 10 -2.959 4.690 -4.856 1.00 0.00 C ATOM 141 CG LYS A 10 -3.014 4.602 -6.372 1.00 0.00 C ATOM 142 CD LYS A 10 -4.233 5.320 -6.928 1.00 0.00 C ATOM 143 CE LYS A 10 -4.395 5.071 -8.419 1.00 0.00 C ATOM 144 NZ LYS A 10 -3.844 6.190 -9.233 1.00 0.00 N ATOM 0 H LYS A 10 -3.015 2.825 -3.236 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.057 3.721 -5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.825 4.177 -4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.034 5.736 -4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.109 5.038 -6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.037 3.556 -6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.126 4.982 -6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.141 6.391 -6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.890 4.143 -8.689 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.452 4.939 -8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.974 5.981 -10.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.343 7.071 -8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.830 6.300 -9.030 1.00 0.00 H new ATOM 158 N ASP A 11 -1.455 5.598 -2.362 1.00 0.00 N ATOM 159 CA ASP A 11 -0.799 6.614 -1.550 1.00 0.00 C ATOM 160 C ASP A 11 0.610 6.172 -1.178 1.00 0.00 C ATOM 161 O ASP A 11 1.574 6.920 -1.343 1.00 0.00 O ATOM 162 CB ASP A 11 -1.610 6.883 -0.287 1.00 0.00 C ATOM 163 CG ASP A 11 -1.624 8.351 0.091 1.00 0.00 C ATOM 164 OD1 ASP A 11 -0.558 8.877 0.473 1.00 0.00 O ATOM 165 OD2 ASP A 11 -2.703 8.975 0.006 1.00 0.00 O ATOM 0 H ASP A 11 -2.344 5.266 -1.988 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.735 7.533 -2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.634 6.540 -0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.196 6.303 0.537 1.00 0.00 H new ATOM 170 N CYS A 12 0.718 4.948 -0.677 1.00 0.00 N ATOM 171 CA CYS A 12 2.006 4.395 -0.282 1.00 0.00 C ATOM 172 C CYS A 12 2.934 4.265 -1.486 1.00 0.00 C ATOM 173 O CYS A 12 4.110 4.623 -1.416 1.00 0.00 O ATOM 174 CB CYS A 12 1.817 3.030 0.381 1.00 0.00 C ATOM 175 SG CYS A 12 3.333 2.352 1.131 1.00 0.00 S ATOM 0 H CYS A 12 -0.072 4.319 -0.535 1.00 0.00 H new ATOM 0 HA CYS A 12 2.463 5.078 0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.050 3.115 1.151 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.446 2.325 -0.363 1.00 0.00 H new ATOM 180 N LYS A 13 2.400 3.756 -2.594 1.00 0.00 N ATOM 181 CA LYS A 13 3.186 3.585 -3.809 1.00 0.00 C ATOM 182 C LYS A 13 3.705 4.933 -4.303 1.00 0.00 C ATOM 183 O LYS A 13 4.768 5.013 -4.918 1.00 0.00 O ATOM 184 CB LYS A 13 2.340 2.897 -4.890 1.00 0.00 C ATOM 185 CG LYS A 13 2.729 3.259 -6.316 1.00 0.00 C ATOM 186 CD LYS A 13 1.968 4.482 -6.800 1.00 0.00 C ATOM 187 CE LYS A 13 0.890 4.107 -7.806 1.00 0.00 C ATOM 188 NZ LYS A 13 0.703 5.162 -8.840 1.00 0.00 N ATOM 0 H LYS A 13 1.428 3.456 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 13 4.045 2.952 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.423 1.817 -4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.293 3.156 -4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.801 3.451 -6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.525 2.416 -6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.512 4.988 -5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.663 5.187 -7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.157 3.168 -8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.052 3.940 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.040 4.868 -9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.424 6.052 -8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.594 5.304 -9.357 1.00 0.00 H new ATOM 202 N ARG A 14 2.947 5.989 -4.028 1.00 0.00 N ATOM 203 CA ARG A 14 3.331 7.332 -4.442 1.00 0.00 C ATOM 204 C ARG A 14 4.512 7.844 -3.622 1.00 0.00 C ATOM 205 O ARG A 14 5.200 8.781 -4.029 1.00 0.00 O ATOM 206 CB ARG A 14 2.143 8.288 -4.306 1.00 0.00 C ATOM 207 CG ARG A 14 1.919 9.159 -5.531 1.00 0.00 C ATOM 208 CD ARG A 14 0.471 9.610 -5.636 1.00 0.00 C ATOM 209 NE ARG A 14 0.062 10.411 -4.484 1.00 0.00 N ATOM 210 CZ ARG A 14 0.444 11.670 -4.284 1.00 0.00 C ATOM 211 NH1 ARG A 14 1.242 12.275 -5.155 1.00 0.00 N ATOM 212 NH2 ARG A 14 0.026 12.326 -3.210 1.00 0.00 N ATOM 0 H ARG A 14 2.064 5.940 -3.520 1.00 0.00 H new ATOM 0 HA ARG A 14 3.636 7.288 -5.487 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.241 7.708 -4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.301 8.929 -3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.570 10.032 -5.482 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.195 8.605 -6.428 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.338 10.192 -6.548 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.176 8.736 -5.718 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.552 9.980 -3.793 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.566 11.775 -5.983 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.532 13.240 -4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.588 11.866 -2.538 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.318 13.291 -3.056 1.00 0.00 H new ATOM 226 N ARG A 15 4.746 7.228 -2.466 1.00 0.00 N ATOM 227 CA ARG A 15 5.847 7.629 -1.599 1.00 0.00 C ATOM 228 C ARG A 15 7.186 7.210 -2.196 1.00 0.00 C ATOM 229 O ARG A 15 8.067 8.040 -2.417 1.00 0.00 O ATOM 230 CB ARG A 15 5.680 7.015 -0.208 1.00 0.00 C ATOM 231 CG ARG A 15 6.353 7.816 0.895 1.00 0.00 C ATOM 232 CD ARG A 15 5.538 7.792 2.178 1.00 0.00 C ATOM 233 NE ARG A 15 5.618 6.500 2.854 1.00 0.00 N ATOM 234 CZ ARG A 15 4.750 6.092 3.778 1.00 0.00 C ATOM 235 NH1 ARG A 15 3.738 6.871 4.137 1.00 0.00 N ATOM 236 NH2 ARG A 15 4.895 4.901 4.343 1.00 0.00 N ATOM 0 H ARG A 15 4.189 6.451 -2.110 1.00 0.00 H new ATOM 0 HA ARG A 15 5.831 8.715 -1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.617 6.926 0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.090 6.005 -0.214 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.346 7.410 1.086 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.487 8.847 0.567 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.894 8.574 2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.496 8.018 1.950 1.00 0.00 H new ATOM 0 HE ARG A 15 6.383 5.874 2.604 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.622 7.788 3.705 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.076 6.553 4.845 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.671 4.298 4.070 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.231 4.588 5.051 1.00 0.00 H new ATOM 250 N GLY A 16 7.329 5.915 -2.456 1.00 0.00 N ATOM 251 CA GLY A 16 8.559 5.404 -3.024 1.00 0.00 C ATOM 252 C GLY A 16 8.605 3.889 -3.038 1.00 0.00 C ATOM 253 O GLY A 16 9.647 3.290 -2.771 1.00 0.00 O ATOM 0 H GLY A 16 6.612 5.210 -2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.668 5.777 -4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.405 5.785 -2.453 1.00 0.00 H new ATOM 257 N TYR A 17 7.471 3.265 -3.345 1.00 0.00 N ATOM 258 CA TYR A 17 7.388 1.811 -3.387 1.00 0.00 C ATOM 259 C TYR A 17 6.774 1.336 -4.700 1.00 0.00 C ATOM 260 O TYR A 17 6.304 2.140 -5.505 1.00 0.00 O ATOM 261 CB TYR A 17 6.561 1.297 -2.208 1.00 0.00 C ATOM 262 CG TYR A 17 7.068 1.769 -0.863 1.00 0.00 C ATOM 263 CD1 TYR A 17 6.710 3.015 -0.363 1.00 0.00 C ATOM 264 CD2 TYR A 17 7.903 0.969 -0.094 1.00 0.00 C ATOM 265 CE1 TYR A 17 7.170 3.450 0.865 1.00 0.00 C ATOM 266 CE2 TYR A 17 8.367 1.396 1.136 1.00 0.00 C ATOM 267 CZ TYR A 17 7.998 2.637 1.610 1.00 0.00 C ATOM 268 OH TYR A 17 8.458 3.067 2.834 1.00 0.00 O ATOM 0 H TYR A 17 6.599 3.744 -3.568 1.00 0.00 H new ATOM 0 HA TYR A 17 8.400 1.411 -3.317 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.527 1.620 -2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.558 0.207 -2.224 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.061 3.654 -0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.195 -0.003 -0.463 1.00 0.00 H new ATOM 0 HE1 TYR A 17 6.883 4.421 1.239 1.00 0.00 H new ATOM 0 HE2 TYR A 17 9.015 0.761 1.722 1.00 0.00 H new ATOM 0 HH TYR A 17 9.029 2.376 3.230 1.00 0.00 H new ATOM 278 N ARG A 18 6.782 0.023 -4.909 1.00 0.00 N ATOM 279 CA ARG A 18 6.227 -0.561 -6.125 1.00 0.00 C ATOM 280 C ARG A 18 4.891 -1.241 -5.842 1.00 0.00 C ATOM 281 O ARG A 18 3.921 -1.054 -6.577 1.00 0.00 O ATOM 282 CB ARG A 18 7.210 -1.569 -6.725 1.00 0.00 C ATOM 283 CG ARG A 18 7.306 -1.496 -8.240 1.00 0.00 C ATOM 284 CD ARG A 18 8.677 -1.928 -8.733 1.00 0.00 C ATOM 285 NE ARG A 18 8.652 -2.332 -10.137 1.00 0.00 N ATOM 286 CZ ARG A 18 8.177 -3.500 -10.564 1.00 0.00 C ATOM 287 NH1 ARG A 18 7.688 -4.382 -9.701 1.00 0.00 N ATOM 288 NH2 ARG A 18 8.190 -3.786 -11.859 1.00 0.00 N ATOM 0 H ARG A 18 7.167 -0.656 -4.252 1.00 0.00 H new ATOM 0 HA ARG A 18 6.059 0.243 -6.841 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.198 -1.399 -6.298 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.907 -2.575 -6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.541 -2.132 -8.685 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.104 -0.477 -8.570 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.383 -1.108 -8.604 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.037 -2.757 -8.124 1.00 0.00 H new ATOM 0 HE ARG A 18 9.020 -1.681 -10.831 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.675 -4.167 -8.704 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.326 -5.275 -10.035 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.564 -3.111 -12.527 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.826 -4.681 -12.187 1.00 0.00 H new ATOM 302 N SER A 19 4.848 -2.031 -4.774 1.00 0.00 N ATOM 303 CA SER A 19 3.629 -2.739 -4.397 1.00 0.00 C ATOM 304 C SER A 19 3.250 -2.439 -2.949 1.00 0.00 C ATOM 305 O SER A 19 3.860 -1.587 -2.302 1.00 0.00 O ATOM 306 CB SER A 19 3.809 -4.248 -4.588 1.00 0.00 C ATOM 307 OG SER A 19 4.959 -4.531 -5.366 1.00 0.00 O ATOM 0 H SER A 19 5.642 -2.197 -4.155 1.00 0.00 H new ATOM 0 HA SER A 19 2.823 -2.392 -5.044 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.896 -4.733 -3.616 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.926 -4.664 -5.074 1.00 0.00 H new ATOM 0 HG SER A 19 5.052 -5.501 -5.472 1.00 0.00 H new ATOM 313 N GLY A 20 2.241 -3.143 -2.449 1.00 0.00 N ATOM 314 CA GLY A 20 1.798 -2.937 -1.082 1.00 0.00 C ATOM 315 C GLY A 20 0.454 -3.577 -0.801 1.00 0.00 C ATOM 316 O GLY A 20 -0.252 -3.989 -1.721 1.00 0.00 O ATOM 0 H GLY A 20 1.722 -3.853 -2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.541 -3.347 -0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.736 -1.867 -0.882 1.00 0.00 H new ATOM 320 N LYS A 21 0.103 -3.660 0.477 1.00 0.00 N ATOM 321 CA LYS A 21 -1.164 -4.253 0.888 1.00 0.00 C ATOM 322 C LYS A 21 -1.427 -3.991 2.368 1.00 0.00 C ATOM 323 O LYS A 21 -0.495 -3.783 3.145 1.00 0.00 O ATOM 324 CB LYS A 21 -1.160 -5.760 0.616 1.00 0.00 C ATOM 325 CG LYS A 21 -1.969 -6.159 -0.607 1.00 0.00 C ATOM 326 CD LYS A 21 -1.357 -7.358 -1.312 1.00 0.00 C ATOM 327 CE LYS A 21 -1.625 -7.321 -2.808 1.00 0.00 C ATOM 328 NZ LYS A 21 -3.021 -7.726 -3.133 1.00 0.00 N ATOM 0 H LYS A 21 0.680 -3.323 1.248 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.961 -3.790 0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.131 -6.095 0.486 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.556 -6.279 1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.991 -6.394 -0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.024 -5.318 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.282 -7.376 -1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.765 -8.277 -0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.442 -6.315 -3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.927 -7.984 -3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.163 -7.687 -4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.188 -8.696 -2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.688 -7.078 -2.667 1.00 0.00 H new ATOM 342 N CYS A 22 -2.699 -4.001 2.753 1.00 0.00 N ATOM 343 CA CYS A 22 -3.076 -3.763 4.141 1.00 0.00 C ATOM 344 C CYS A 22 -3.557 -5.048 4.806 1.00 0.00 C ATOM 345 O CYS A 22 -4.642 -5.547 4.508 1.00 0.00 O ATOM 346 CB CYS A 22 -4.165 -2.691 4.226 1.00 0.00 C ATOM 347 SG CYS A 22 -4.157 -1.753 5.788 1.00 0.00 S ATOM 0 H CYS A 22 -3.484 -4.171 2.125 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.191 -3.411 4.671 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.042 -1.996 3.395 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.139 -3.166 4.103 1.00 0.00 H new ATOM 352 N ILE A 23 -2.740 -5.575 5.712 1.00 0.00 N ATOM 353 CA ILE A 23 -3.074 -6.798 6.426 1.00 0.00 C ATOM 354 C ILE A 23 -2.919 -6.608 7.931 1.00 0.00 C ATOM 355 O ILE A 23 -1.988 -5.945 8.389 1.00 0.00 O ATOM 356 CB ILE A 23 -2.188 -7.974 5.973 1.00 0.00 C ATOM 357 CG1 ILE A 23 -2.143 -8.049 4.446 1.00 0.00 C ATOM 358 CG2 ILE A 23 -2.700 -9.281 6.560 1.00 0.00 C ATOM 359 CD1 ILE A 23 -3.493 -8.309 3.813 1.00 0.00 C ATOM 0 H ILE A 23 -1.839 -5.171 5.968 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.114 -7.029 6.194 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.175 -7.808 6.339 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.742 -7.113 4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.453 -8.839 4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.063 -10.102 6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.683 -9.223 7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.721 -9.456 6.222 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.385 -8.349 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.887 -9.259 4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.180 -7.506 4.079 1.00 0.00 H new ATOM 371 N ASN A 24 -3.837 -7.190 8.697 1.00 0.00 N ATOM 372 CA ASN A 24 -3.801 -7.082 10.154 1.00 0.00 C ATOM 373 C ASN A 24 -3.595 -5.635 10.589 1.00 0.00 C ATOM 374 O ASN A 24 -2.627 -5.310 11.277 1.00 0.00 O ATOM 375 CB ASN A 24 -2.688 -7.952 10.722 1.00 0.00 C ATOM 376 CG ASN A 24 -2.830 -9.410 10.327 1.00 0.00 C ATOM 377 OD1 ASN A 24 -3.409 -9.730 9.289 1.00 0.00 O ATOM 378 ND2 ASN A 24 -2.301 -10.301 11.157 1.00 0.00 N ATOM 0 H ASN A 24 -4.615 -7.741 8.334 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.760 -7.428 10.540 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.725 -7.577 10.375 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.688 -7.872 11.809 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.366 -11.297 10.945 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.830 -9.990 12.007 1.00 0.00 H new ATOM 385 N ASN A 25 -4.512 -4.776 10.172 1.00 0.00 N ATOM 386 CA ASN A 25 -4.455 -3.352 10.499 1.00 0.00 C ATOM 387 C ASN A 25 -3.051 -2.789 10.286 1.00 0.00 C ATOM 388 O ASN A 25 -2.641 -1.845 10.962 1.00 0.00 O ATOM 389 CB ASN A 25 -4.907 -3.115 11.943 1.00 0.00 C ATOM 390 CG ASN A 25 -3.943 -3.689 12.963 1.00 0.00 C ATOM 391 OD1 ASN A 25 -4.057 -4.850 13.358 1.00 0.00 O ATOM 392 ND2 ASN A 25 -2.985 -2.877 13.395 1.00 0.00 N ATOM 0 H ASN A 25 -5.314 -5.040 9.600 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.134 -2.829 9.826 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.014 -2.044 12.114 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.891 -3.561 12.089 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.307 -3.208 14.081 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.928 -1.922 13.041 1.00 0.00 H new ATOM 399 N ALA A 26 -2.321 -3.372 9.339 1.00 0.00 N ATOM 400 CA ALA A 26 -0.966 -2.928 9.035 1.00 0.00 C ATOM 401 C ALA A 26 -0.739 -2.859 7.529 1.00 0.00 C ATOM 402 O ALA A 26 -0.834 -3.869 6.831 1.00 0.00 O ATOM 403 CB ALA A 26 0.052 -3.854 9.683 1.00 0.00 C ATOM 0 H ALA A 26 -2.646 -4.153 8.769 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.838 -1.925 9.443 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.059 -3.510 9.447 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.089 -3.850 10.764 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.084 -4.867 9.303 1.00 0.00 H new ATOM 409 N CYS A 27 -0.441 -1.663 7.032 1.00 0.00 N ATOM 410 CA CYS A 27 -0.204 -1.465 5.609 1.00 0.00 C ATOM 411 C CYS A 27 1.257 -1.725 5.256 1.00 0.00 C ATOM 412 O CYS A 27 2.130 -0.902 5.533 1.00 0.00 O ATOM 413 CB CYS A 27 -0.599 -0.046 5.200 1.00 0.00 C ATOM 414 SG CYS A 27 -1.154 0.105 3.470 1.00 0.00 S ATOM 0 H CYS A 27 -0.358 -0.817 7.595 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.819 -2.178 5.061 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.396 0.301 5.857 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.253 0.616 5.356 1.00 0.00 H new ATOM 419 N LYS A 28 1.513 -2.875 4.640 1.00 0.00 N ATOM 420 CA LYS A 28 2.864 -3.249 4.244 1.00 0.00 C ATOM 421 C LYS A 28 3.107 -2.920 2.775 1.00 0.00 C ATOM 422 O LYS A 28 2.351 -3.343 1.901 1.00 0.00 O ATOM 423 CB LYS A 28 3.105 -4.741 4.493 1.00 0.00 C ATOM 424 CG LYS A 28 1.879 -5.614 4.272 1.00 0.00 C ATOM 425 CD LYS A 28 2.265 -7.008 3.805 1.00 0.00 C ATOM 426 CE LYS A 28 2.289 -7.100 2.287 1.00 0.00 C ATOM 427 NZ LYS A 28 1.564 -8.303 1.792 1.00 0.00 N ATOM 0 H LYS A 28 0.800 -3.565 4.404 1.00 0.00 H new ATOM 0 HA LYS A 28 3.564 -2.674 4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.905 -5.083 3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.454 -4.876 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.309 -5.684 5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.228 -5.148 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.247 -7.267 4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.558 -7.735 4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.838 -6.204 1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.322 -7.131 1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.205 -8.880 1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.230 -8.865 2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.750 -8.006 1.218 1.00 0.00 H new ATOM 441 N CYS A 29 4.165 -2.160 2.510 1.00 0.00 N ATOM 442 CA CYS A 29 4.504 -1.772 1.146 1.00 0.00 C ATOM 443 C CYS A 29 5.678 -2.591 0.616 1.00 0.00 C ATOM 444 O CYS A 29 6.396 -3.234 1.381 1.00 0.00 O ATOM 445 CB CYS A 29 4.835 -0.283 1.089 1.00 0.00 C ATOM 446 SG CYS A 29 3.714 0.688 0.032 1.00 0.00 S ATOM 0 H CYS A 29 4.802 -1.801 3.221 1.00 0.00 H new ATOM 0 HA CYS A 29 3.639 -1.970 0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.807 0.123 2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.855 -0.162 0.725 1.00 0.00 H new ATOM 451 N TYR A 30 5.864 -2.560 -0.699 1.00 0.00 N ATOM 452 CA TYR A 30 6.949 -3.296 -1.338 1.00 0.00 C ATOM 453 C TYR A 30 7.813 -2.364 -2.186 1.00 0.00 C ATOM 454 O TYR A 30 7.402 -1.943 -3.268 1.00 0.00 O ATOM 455 CB TYR A 30 6.385 -4.418 -2.211 1.00 0.00 C ATOM 456 CG TYR A 30 5.823 -5.577 -1.421 1.00 0.00 C ATOM 457 CD1 TYR A 30 6.659 -6.549 -0.886 1.00 0.00 C ATOM 458 CD2 TYR A 30 4.455 -5.700 -1.210 1.00 0.00 C ATOM 459 CE1 TYR A 30 6.149 -7.610 -0.164 1.00 0.00 C ATOM 460 CE2 TYR A 30 3.937 -6.759 -0.489 1.00 0.00 C ATOM 461 CZ TYR A 30 4.788 -7.711 0.032 1.00 0.00 C ATOM 462 OH TYR A 30 4.277 -8.767 0.751 1.00 0.00 O ATOM 0 H TYR A 30 5.276 -2.032 -1.344 1.00 0.00 H new ATOM 0 HA TYR A 30 7.572 -3.730 -0.555 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.601 -4.011 -2.849 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.173 -4.786 -2.869 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.726 -6.474 -1.037 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.786 -4.956 -1.616 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.813 -8.357 0.245 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.871 -6.841 -0.334 1.00 0.00 H new ATOM 0 HH TYR A 30 4.934 -9.057 1.418 1.00 0.00 H new ATOM 472 N PRO A 31 9.025 -2.024 -1.709 1.00 0.00 N ATOM 473 CA PRO A 31 9.936 -1.135 -2.438 1.00 0.00 C ATOM 474 C PRO A 31 10.473 -1.776 -3.713 1.00 0.00 C ATOM 475 O PRO A 31 10.174 -2.933 -4.011 1.00 0.00 O ATOM 476 CB PRO A 31 11.073 -0.891 -1.443 1.00 0.00 C ATOM 477 CG PRO A 31 11.045 -2.071 -0.536 1.00 0.00 C ATOM 478 CD PRO A 31 9.601 -2.475 -0.428 1.00 0.00 C ATOM 0 HA PRO A 31 9.437 -0.223 -2.765 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.033 -0.806 -1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.923 0.036 -0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.649 -2.885 -0.936 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.455 -1.821 0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.493 -3.552 -0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.113 -1.999 0.422 1.00 0.00 H new ATOM 486 N TYR A 32 11.267 -1.017 -4.461 1.00 0.00 N ATOM 487 CA TYR A 32 11.846 -1.511 -5.706 1.00 0.00 C ATOM 488 C TYR A 32 12.716 -2.738 -5.452 1.00 0.00 C ATOM 489 O TYR A 32 13.763 -2.593 -4.786 1.00 0.00 O ATOM 490 CB TYR A 32 12.672 -0.411 -6.378 1.00 0.00 C ATOM 491 CG TYR A 32 12.194 -0.059 -7.769 1.00 0.00 C ATOM 492 CD1 TYR A 32 12.506 -0.865 -8.856 1.00 0.00 C ATOM 493 CD2 TYR A 32 11.431 1.080 -7.994 1.00 0.00 C ATOM 494 CE1 TYR A 32 12.072 -0.546 -10.129 1.00 0.00 C ATOM 495 CE2 TYR A 32 10.992 1.405 -9.264 1.00 0.00 C ATOM 496 CZ TYR A 32 11.315 0.589 -10.327 1.00 0.00 C ATOM 497 OH TYR A 32 10.881 0.910 -11.593 1.00 0.00 O ATOM 498 OXT TYR A 32 12.343 -3.834 -5.921 1.00 0.00 O ATOM 0 H TYR A 32 11.524 -0.058 -4.227 1.00 0.00 H new ATOM 0 HA TYR A 32 11.031 -1.800 -6.370 1.00 0.00 H new ATOM 0 HB2 TYR A 32 12.644 0.484 -5.756 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.713 -0.731 -6.431 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.098 -1.756 -8.704 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.177 1.722 -7.163 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.325 -1.183 -10.964 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.399 2.294 -9.422 1.00 0.00 H new ATOM 0 HH TYR A 32 10.359 1.739 -11.560 1.00 0.00 H new TER 508 TYR A 32