USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 263 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 9 GLN : amide:sc= 1 X(o=2.3,f=2.1) USER MOD Set 1.2: A 26 TYR OH : rot 163:sc= 1.32 USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -121:sc= 0.0491 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= 1.76 (180deg=1.6) USER MOD Single : A 8 THR OG1 : rot -11:sc= 1.01 USER MOD Single : A 12 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.17) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -63:sc= 1.17 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -87:sc= 1.25 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -10.773 1.038 -9.425 1.00 0.00 N ATOM 2 CA CYS A 1 -11.590 0.393 -8.368 1.00 0.00 C ATOM 3 C CYS A 1 -11.444 1.215 -7.046 1.00 0.00 C ATOM 4 O CYS A 1 -12.162 2.210 -6.896 1.00 0.00 O ATOM 5 CB CYS A 1 -11.158 -1.093 -8.317 1.00 0.00 C ATOM 6 SG CYS A 1 -12.132 -1.984 -7.058 1.00 0.00 S ATOM 0 H1 CYS A 1 -10.862 0.499 -10.310 1.00 0.00 H new ATOM 0 H2 CYS A 1 -11.107 2.011 -9.577 1.00 0.00 H new ATOM 0 H3 CYS A 1 -9.776 1.056 -9.130 1.00 0.00 H new ATOM 0 HA CYS A 1 -12.663 0.392 -8.561 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -11.301 -1.555 -9.294 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -10.096 -1.163 -8.084 1.00 0.00 H new ATOM 0 HG CYS A 1 -11.763 -3.230 -7.025 1.00 0.00 H new ATOM 13 N ALA A 2 -10.532 0.856 -6.118 1.00 0.00 N ATOM 14 CA ALA A 2 -10.261 1.648 -4.889 1.00 0.00 C ATOM 15 C ALA A 2 -8.739 1.561 -4.510 1.00 0.00 C ATOM 16 O ALA A 2 -8.318 0.661 -3.783 1.00 0.00 O ATOM 17 CB ALA A 2 -11.183 1.113 -3.772 1.00 0.00 C ATOM 0 H ALA A 2 -9.962 0.013 -6.194 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.475 2.705 -5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.007 1.675 -2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.224 1.227 -4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.969 0.059 -3.598 1.00 0.00 H new ATOM 23 N LYS A 3 -7.798 2.414 -4.953 1.00 0.00 N ATOM 24 CA LYS A 3 -7.922 3.226 -6.186 1.00 0.00 C ATOM 25 C LYS A 3 -6.549 3.290 -6.931 1.00 0.00 C ATOM 26 O LYS A 3 -5.518 3.654 -6.354 1.00 0.00 O ATOM 27 CB LYS A 3 -8.449 4.653 -5.836 1.00 0.00 C ATOM 28 CG LYS A 3 -9.099 5.427 -7.014 1.00 0.00 C ATOM 29 CD LYS A 3 -10.423 4.788 -7.488 1.00 0.00 C ATOM 30 CE LYS A 3 -11.120 5.523 -8.642 1.00 0.00 C ATOM 31 NZ LYS A 3 -12.341 4.750 -9.004 1.00 0.00 N ATOM 0 H LYS A 3 -6.917 2.564 -4.461 1.00 0.00 H new ATOM 0 HA LYS A 3 -8.643 2.756 -6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.181 4.565 -5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.619 5.244 -5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.286 6.456 -6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.399 5.465 -7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.224 3.762 -7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.108 4.738 -6.642 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -11.385 6.537 -8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.453 5.607 -9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.286 4.462 -10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.408 3.904 -8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.183 5.344 -8.861 1.00 0.00 H new ATOM 45 N VAL A 4 -6.560 2.954 -8.233 1.00 0.00 N ATOM 46 CA VAL A 4 -5.354 2.969 -9.110 1.00 0.00 C ATOM 47 C VAL A 4 -5.315 4.348 -9.858 1.00 0.00 C ATOM 48 O VAL A 4 -5.771 4.527 -10.990 1.00 0.00 O ATOM 49 CB VAL A 4 -5.377 1.700 -10.040 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.595 1.511 -10.981 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.085 1.566 -10.878 1.00 0.00 C ATOM 0 H VAL A 4 -7.407 2.661 -8.719 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.422 2.896 -8.550 1.00 0.00 H new ATOM 0 HB VAL A 4 -5.463 0.906 -9.299 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.470 0.595 -11.559 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.507 1.444 -10.387 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.666 2.361 -11.660 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.148 0.676 -11.504 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.968 2.446 -11.510 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.226 1.481 -10.212 1.00 0.00 H new ATOM 61 N LYS A 5 -4.751 5.334 -9.155 1.00 0.00 N ATOM 62 CA LYS A 5 -4.382 6.657 -9.734 1.00 0.00 C ATOM 63 C LYS A 5 -2.844 6.827 -9.489 1.00 0.00 C ATOM 64 O LYS A 5 -2.387 7.409 -8.498 1.00 0.00 O ATOM 65 CB LYS A 5 -5.329 7.756 -9.140 1.00 0.00 C ATOM 66 CG LYS A 5 -5.128 8.355 -7.719 1.00 0.00 C ATOM 67 CD LYS A 5 -5.334 7.393 -6.517 1.00 0.00 C ATOM 68 CE LYS A 5 -4.313 7.545 -5.372 1.00 0.00 C ATOM 69 NZ LYS A 5 -2.973 7.055 -5.803 1.00 0.00 N ATOM 0 H LYS A 5 -4.531 5.250 -8.163 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.533 6.748 -10.810 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.309 8.594 -9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.338 7.344 -9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.118 8.759 -7.661 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.814 9.194 -7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.334 7.550 -6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.296 6.367 -6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.246 8.591 -5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.649 6.985 -4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.254 7.360 -5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.983 6.016 -5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.745 7.446 -6.739 1.00 0.00 H new ATOM 83 N GLY A 6 -2.039 6.161 -10.333 1.00 0.00 N ATOM 84 CA GLY A 6 -0.753 5.581 -9.877 1.00 0.00 C ATOM 85 C GLY A 6 0.464 5.964 -10.739 1.00 0.00 C ATOM 86 O GLY A 6 0.588 5.515 -11.879 1.00 0.00 O ATOM 0 H GLY A 6 -2.246 6.009 -11.320 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.569 5.899 -8.851 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.844 4.495 -9.862 1.00 0.00 H new ATOM 90 N ILE A 7 1.379 6.758 -10.171 1.00 0.00 N ATOM 91 CA ILE A 7 2.683 7.102 -10.816 1.00 0.00 C ATOM 92 C ILE A 7 3.761 6.813 -9.718 1.00 0.00 C ATOM 93 O ILE A 7 3.909 7.583 -8.761 1.00 0.00 O ATOM 94 CB ILE A 7 2.685 8.596 -11.320 1.00 0.00 C ATOM 95 CG1 ILE A 7 1.605 8.867 -12.417 1.00 0.00 C ATOM 96 CG2 ILE A 7 4.073 8.972 -11.913 1.00 0.00 C ATOM 97 CD1 ILE A 7 1.332 10.350 -12.730 1.00 0.00 C ATOM 0 H ILE A 7 1.252 7.187 -9.254 1.00 0.00 H new ATOM 0 HA ILE A 7 2.884 6.515 -11.712 1.00 0.00 H new ATOM 0 HB ILE A 7 2.456 9.206 -10.446 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.915 8.371 -13.337 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.670 8.402 -12.104 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.054 10.007 -12.255 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.839 8.857 -11.146 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.299 8.316 -12.753 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.568 10.424 -13.504 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.985 10.854 -11.828 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.250 10.823 -13.080 1.00 0.00 H new ATOM 109 N THR A 8 4.475 5.673 -9.790 1.00 0.00 N ATOM 110 CA THR A 8 5.487 5.292 -8.745 1.00 0.00 C ATOM 111 C THR A 8 6.560 4.316 -9.336 1.00 0.00 C ATOM 112 O THR A 8 7.741 4.671 -9.341 1.00 0.00 O ATOM 113 CB THR A 8 4.745 4.705 -7.494 1.00 0.00 C ATOM 114 OG1 THR A 8 3.874 5.686 -6.935 1.00 0.00 O ATOM 115 CG2 THR A 8 5.674 4.291 -6.341 1.00 0.00 C ATOM 0 H THR A 8 4.383 4.996 -10.547 1.00 0.00 H new ATOM 0 HA THR A 8 6.035 6.176 -8.419 1.00 0.00 H new ATOM 0 HB THR A 8 4.227 3.825 -7.876 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.061 6.558 -7.341 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.079 3.896 -5.518 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.366 3.524 -6.689 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.237 5.159 -5.998 1.00 0.00 H new ATOM 123 N GLN A 9 6.193 3.101 -9.796 1.00 0.00 N ATOM 124 CA GLN A 9 7.139 2.167 -10.473 1.00 0.00 C ATOM 125 C GLN A 9 6.335 1.497 -11.634 1.00 0.00 C ATOM 126 O GLN A 9 5.977 0.316 -11.591 1.00 0.00 O ATOM 127 CB GLN A 9 7.715 1.124 -9.467 1.00 0.00 C ATOM 128 CG GLN A 9 8.710 1.656 -8.401 1.00 0.00 C ATOM 129 CD GLN A 9 9.265 0.600 -7.437 1.00 0.00 C ATOM 130 OE1 GLN A 9 8.933 0.544 -6.255 1.00 0.00 O ATOM 131 NE2 GLN A 9 10.150 -0.257 -7.893 1.00 0.00 N ATOM 0 H GLN A 9 5.244 2.736 -9.714 1.00 0.00 H new ATOM 0 HA GLN A 9 8.008 2.693 -10.870 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.879 0.655 -8.948 1.00 0.00 H new ATOM 0 HB3 GLN A 9 8.215 0.341 -10.038 1.00 0.00 H new ATOM 0 HG2 GLN A 9 9.546 2.131 -8.914 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.212 2.431 -7.818 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.436 -0.223 -8.872 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.552 -0.956 -7.268 1.00 0.00 H new ATOM 140 N GLY A 10 5.897 2.320 -12.606 1.00 0.00 N ATOM 141 CA GLY A 10 4.519 2.194 -13.123 1.00 0.00 C ATOM 142 C GLY A 10 3.359 2.524 -12.118 1.00 0.00 C ATOM 143 O GLY A 10 3.606 2.968 -10.989 1.00 0.00 O ATOM 0 H GLY A 10 6.455 3.056 -13.038 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.418 2.850 -13.987 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.381 1.173 -13.480 1.00 0.00 H new ATOM 147 N PRO A 11 2.081 2.263 -12.492 1.00 0.00 N ATOM 148 CA PRO A 11 0.934 2.213 -11.538 1.00 0.00 C ATOM 149 C PRO A 11 1.024 1.087 -10.450 1.00 0.00 C ATOM 150 O PRO A 11 0.476 -0.011 -10.586 1.00 0.00 O ATOM 151 CB PRO A 11 -0.267 2.054 -12.497 1.00 0.00 C ATOM 152 CG PRO A 11 0.170 2.692 -13.815 1.00 0.00 C ATOM 153 CD PRO A 11 1.669 2.403 -13.895 1.00 0.00 C ATOM 0 HA PRO A 11 0.880 3.097 -10.903 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.521 1.003 -12.636 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.154 2.546 -12.099 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.364 2.261 -14.662 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.030 3.764 -13.824 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.870 1.494 -14.462 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.206 3.213 -14.389 1.00 0.00 H new ATOM 161 N ASN A 12 1.735 1.383 -9.353 1.00 0.00 N ATOM 162 CA ASN A 12 2.180 0.340 -8.375 1.00 0.00 C ATOM 163 C ASN A 12 1.203 0.088 -7.161 1.00 0.00 C ATOM 164 O ASN A 12 1.642 -0.321 -6.081 1.00 0.00 O ATOM 165 CB ASN A 12 3.588 0.860 -7.945 1.00 0.00 C ATOM 166 CG ASN A 12 4.527 -0.145 -7.276 1.00 0.00 C ATOM 167 OD1 ASN A 12 4.451 -1.355 -7.451 1.00 0.00 O ATOM 168 ND2 ASN A 12 5.499 0.334 -6.542 1.00 0.00 N ATOM 0 H ASN A 12 2.022 2.331 -9.107 1.00 0.00 H new ATOM 0 HA ASN A 12 2.196 -0.654 -8.822 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.088 1.253 -8.830 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.445 1.697 -7.261 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.181 -0.298 -6.124 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.574 1.340 -6.388 1.00 0.00 H new ATOM 175 N GLU A 13 -0.119 0.309 -7.321 1.00 0.00 N ATOM 176 CA GLU A 13 -1.109 0.255 -6.209 1.00 0.00 C ATOM 177 C GLU A 13 -2.573 0.236 -6.764 1.00 0.00 C ATOM 178 O GLU A 13 -2.917 0.927 -7.728 1.00 0.00 O ATOM 179 CB GLU A 13 -0.905 1.468 -5.236 1.00 0.00 C ATOM 180 CG GLU A 13 -0.985 2.931 -5.771 1.00 0.00 C ATOM 181 CD GLU A 13 -2.364 3.531 -6.068 1.00 0.00 C ATOM 182 OE1 GLU A 13 -2.558 4.411 -6.905 1.00 0.00 O ATOM 183 OE2 GLU A 13 -3.348 3.028 -5.272 1.00 0.00 O ATOM 0 H GLU A 13 -0.537 0.531 -8.225 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.946 -0.668 -5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.647 1.374 -4.443 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.074 1.348 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.493 3.577 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.398 2.980 -6.688 1.00 0.00 H new ATOM 191 N SER A 14 -3.468 -0.476 -6.061 1.00 0.00 N ATOM 192 CA SER A 14 -4.886 -0.032 -5.926 1.00 0.00 C ATOM 193 C SER A 14 -5.184 0.125 -4.390 1.00 0.00 C ATOM 194 O SER A 14 -5.280 1.287 -3.985 1.00 0.00 O ATOM 195 CB SER A 14 -5.831 -0.978 -6.707 1.00 0.00 C ATOM 196 OG SER A 14 -7.202 -0.629 -6.484 1.00 0.00 O ATOM 0 H SER A 14 -3.251 -1.349 -5.580 1.00 0.00 H new ATOM 0 HA SER A 14 -5.067 0.940 -6.385 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.607 -0.924 -7.772 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.659 -2.008 -6.396 1.00 0.00 H new ATOM 0 HG SER A 14 -7.781 -1.238 -6.988 1.00 0.00 H new ATOM 202 N PRO A 15 -5.274 -0.895 -3.477 1.00 0.00 N ATOM 203 CA PRO A 15 -5.325 -0.653 -1.997 1.00 0.00 C ATOM 204 C PRO A 15 -3.951 -0.398 -1.260 1.00 0.00 C ATOM 205 O PRO A 15 -3.860 -0.587 -0.043 1.00 0.00 O ATOM 206 CB PRO A 15 -5.994 -1.969 -1.548 1.00 0.00 C ATOM 207 CG PRO A 15 -5.368 -3.018 -2.471 1.00 0.00 C ATOM 208 CD PRO A 15 -5.352 -2.328 -3.831 1.00 0.00 C ATOM 0 HA PRO A 15 -5.837 0.276 -1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.792 -2.185 -0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.077 -1.928 -1.662 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.364 -3.290 -2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.956 -3.936 -2.493 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.499 -2.642 -4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.249 -2.553 -4.408 1.00 0.00 H new ATOM 216 N SER A 16 -2.881 -0.012 -1.991 1.00 0.00 N ATOM 217 CA SER A 16 -1.440 -0.168 -1.611 1.00 0.00 C ATOM 218 C SER A 16 -1.077 -1.700 -1.579 1.00 0.00 C ATOM 219 O SER A 16 -1.051 -2.292 -2.662 1.00 0.00 O ATOM 220 CB SER A 16 -1.120 0.683 -0.346 1.00 0.00 C ATOM 221 OG SER A 16 -1.690 0.156 0.849 1.00 0.00 O ATOM 0 H SER A 16 -2.992 0.436 -2.901 1.00 0.00 H new ATOM 0 HA SER A 16 -0.762 0.248 -2.357 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.039 0.749 -0.226 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.487 1.698 -0.498 1.00 0.00 H new ATOM 0 HG SER A 16 -2.667 0.165 0.777 1.00 0.00 H new ATOM 227 N ALA A 17 -0.821 -2.338 -0.411 1.00 0.00 N ATOM 228 CA ALA A 17 -0.683 -3.826 -0.211 1.00 0.00 C ATOM 229 C ALA A 17 0.495 -4.534 -0.983 1.00 0.00 C ATOM 230 O ALA A 17 1.365 -5.125 -0.335 1.00 0.00 O ATOM 231 CB ALA A 17 -2.053 -4.478 -0.523 1.00 0.00 C ATOM 0 H ALA A 17 -0.698 -1.822 0.460 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.394 -3.974 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.982 -5.557 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.809 -4.076 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.333 -4.261 -1.554 1.00 0.00 H new ATOM 237 N PHE A 18 0.551 -4.496 -2.326 1.00 0.00 N ATOM 238 CA PHE A 18 1.816 -4.720 -3.093 1.00 0.00 C ATOM 239 C PHE A 18 2.886 -3.597 -2.848 1.00 0.00 C ATOM 240 O PHE A 18 4.034 -3.903 -2.521 1.00 0.00 O ATOM 241 CB PHE A 18 1.418 -4.843 -4.593 1.00 0.00 C ATOM 242 CG PHE A 18 2.581 -5.232 -5.523 1.00 0.00 C ATOM 243 CD1 PHE A 18 3.007 -6.562 -5.581 1.00 0.00 C ATOM 244 CD2 PHE A 18 3.259 -4.259 -6.267 1.00 0.00 C ATOM 245 CE1 PHE A 18 4.092 -6.919 -6.380 1.00 0.00 C ATOM 246 CE2 PHE A 18 4.341 -4.620 -7.068 1.00 0.00 C ATOM 247 CZ PHE A 18 4.757 -5.947 -7.122 1.00 0.00 C ATOM 0 H PHE A 18 -0.261 -4.313 -2.915 1.00 0.00 H new ATOM 0 HA PHE A 18 2.304 -5.633 -2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.627 -5.587 -4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.003 -3.892 -4.927 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.493 -7.317 -5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.943 -3.227 -6.220 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.416 -7.948 -6.423 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.857 -3.869 -7.648 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.598 -6.223 -7.741 1.00 0.00 H new ATOM 257 N LEU A 19 2.488 -2.315 -2.939 1.00 0.00 N ATOM 258 CA LEU A 19 3.284 -1.162 -2.426 1.00 0.00 C ATOM 259 C LEU A 19 3.777 -1.301 -0.946 1.00 0.00 C ATOM 260 O LEU A 19 4.935 -1.012 -0.657 1.00 0.00 O ATOM 261 CB LEU A 19 2.374 0.091 -2.571 1.00 0.00 C ATOM 262 CG LEU A 19 3.084 1.466 -2.493 1.00 0.00 C ATOM 263 CD1 LEU A 19 4.017 1.708 -3.691 1.00 0.00 C ATOM 264 CD2 LEU A 19 2.043 2.594 -2.429 1.00 0.00 C ATOM 0 H LEU A 19 1.605 -2.039 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 19 4.204 -1.098 -3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.854 0.028 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.613 0.054 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 19 3.692 1.461 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.491 2.684 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.783 0.933 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.439 1.678 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.552 3.556 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.419 2.564 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.419 2.463 -1.545 1.00 0.00 H new ATOM 276 N GLU A 20 2.913 -1.752 -0.025 1.00 0.00 N ATOM 277 CA GLU A 20 3.291 -2.066 1.375 1.00 0.00 C ATOM 278 C GLU A 20 4.254 -3.284 1.563 1.00 0.00 C ATOM 279 O GLU A 20 5.183 -3.156 2.364 1.00 0.00 O ATOM 280 CB GLU A 20 1.969 -2.280 2.164 1.00 0.00 C ATOM 281 CG GLU A 20 1.214 -0.978 2.531 1.00 0.00 C ATOM 282 CD GLU A 20 -0.027 -1.188 3.396 1.00 0.00 C ATOM 283 OE1 GLU A 20 -0.161 -0.708 4.517 1.00 0.00 O ATOM 284 OE2 GLU A 20 -0.972 -1.954 2.783 1.00 0.00 O ATOM 0 H GLU A 20 1.926 -1.913 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 20 3.875 -1.226 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.307 -2.913 1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.194 -2.824 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.899 -0.312 3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.919 -0.472 1.611 1.00 0.00 H new ATOM 292 N ARG A 21 4.122 -4.408 0.830 1.00 0.00 N ATOM 293 CA ARG A 21 5.200 -5.431 0.705 1.00 0.00 C ATOM 294 C ARG A 21 6.582 -4.854 0.223 1.00 0.00 C ATOM 295 O ARG A 21 7.612 -5.172 0.823 1.00 0.00 O ATOM 296 CB ARG A 21 4.709 -6.533 -0.277 1.00 0.00 C ATOM 297 CG ARG A 21 3.645 -7.499 0.305 1.00 0.00 C ATOM 298 CD ARG A 21 2.957 -8.351 -0.782 1.00 0.00 C ATOM 299 NE ARG A 21 1.987 -9.330 -0.210 1.00 0.00 N ATOM 300 CZ ARG A 21 0.727 -9.064 0.141 1.00 0.00 C ATOM 301 NH1 ARG A 21 0.195 -7.867 0.103 1.00 0.00 N ATOM 302 NH2 ARG A 21 -0.017 -10.050 0.551 1.00 0.00 N ATOM 0 H ARG A 21 3.276 -4.638 0.309 1.00 0.00 H new ATOM 0 HA ARG A 21 5.387 -5.833 1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.295 -6.051 -1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.569 -7.117 -0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.118 -8.159 1.033 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.891 -6.922 0.841 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.437 -7.694 -1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.715 -8.887 -1.353 1.00 0.00 H new ATOM 0 HE ARG A 21 2.316 -10.286 -0.075 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.752 -7.071 -0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.776 -7.731 0.385 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.367 -10.994 0.597 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.984 -9.879 0.826 1.00 0.00 H new ATOM 316 N LEU A 22 6.596 -3.971 -0.796 1.00 0.00 N ATOM 317 CA LEU A 22 7.785 -3.187 -1.189 1.00 0.00 C ATOM 318 C LEU A 22 8.266 -2.176 -0.090 1.00 0.00 C ATOM 319 O LEU A 22 9.475 -2.102 0.115 1.00 0.00 O ATOM 320 CB LEU A 22 7.468 -2.443 -2.520 1.00 0.00 C ATOM 321 CG LEU A 22 7.249 -3.314 -3.789 1.00 0.00 C ATOM 322 CD1 LEU A 22 6.768 -2.433 -4.951 1.00 0.00 C ATOM 323 CD2 LEU A 22 8.518 -4.069 -4.223 1.00 0.00 C ATOM 0 H LEU A 22 5.777 -3.780 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 22 8.612 -3.884 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.572 -1.841 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.286 -1.751 -2.723 1.00 0.00 H new ATOM 0 HG LEU A 22 6.495 -4.058 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.617 -3.050 -5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.828 -1.952 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.517 -1.670 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.303 -4.660 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.310 -3.353 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.841 -4.730 -3.419 1.00 0.00 H new ATOM 335 N LYS A 23 7.396 -1.451 0.653 1.00 0.00 N ATOM 336 CA LYS A 23 7.840 -0.593 1.803 1.00 0.00 C ATOM 337 C LYS A 23 8.433 -1.404 3.013 1.00 0.00 C ATOM 338 O LYS A 23 9.417 -0.957 3.606 1.00 0.00 O ATOM 339 CB LYS A 23 6.628 0.263 2.270 1.00 0.00 C ATOM 340 CG LYS A 23 6.194 1.393 1.296 1.00 0.00 C ATOM 341 CD LYS A 23 4.809 2.015 1.586 1.00 0.00 C ATOM 342 CE LYS A 23 4.722 2.795 2.911 1.00 0.00 C ATOM 343 NZ LYS A 23 3.366 3.389 3.067 1.00 0.00 N ATOM 0 H LYS A 23 6.390 -1.436 0.487 1.00 0.00 H new ATOM 0 HA LYS A 23 8.657 0.035 1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.778 -0.400 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.871 0.711 3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.943 2.184 1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.191 0.995 0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.547 2.685 0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.063 1.220 1.598 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.935 2.130 3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.476 3.582 2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.318 3.913 3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.178 4.038 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.653 2.632 3.070 1.00 0.00 H new ATOM 357 N GLU A 24 7.880 -2.585 3.359 1.00 0.00 N ATOM 358 CA GLU A 24 8.471 -3.533 4.334 1.00 0.00 C ATOM 359 C GLU A 24 9.851 -4.145 3.877 1.00 0.00 C ATOM 360 O GLU A 24 10.752 -4.301 4.705 1.00 0.00 O ATOM 361 CB GLU A 24 7.399 -4.643 4.593 1.00 0.00 C ATOM 362 CG GLU A 24 7.252 -5.106 6.066 1.00 0.00 C ATOM 363 CD GLU A 24 8.392 -5.898 6.705 1.00 0.00 C ATOM 364 OE1 GLU A 24 9.282 -6.473 6.085 1.00 0.00 O ATOM 365 OE2 GLU A 24 8.285 -5.925 8.061 1.00 0.00 O ATOM 0 H GLU A 24 6.998 -2.914 2.965 1.00 0.00 H new ATOM 0 HA GLU A 24 8.716 -2.996 5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.432 -4.276 4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.646 -5.511 3.982 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.084 -4.218 6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.350 -5.714 6.133 1.00 0.00 H new ATOM 373 N ALA A 25 10.030 -4.462 2.577 1.00 0.00 N ATOM 374 CA ALA A 25 11.345 -4.748 1.965 1.00 0.00 C ATOM 375 C ALA A 25 12.341 -3.536 1.882 1.00 0.00 C ATOM 376 O ALA A 25 13.525 -3.725 2.165 1.00 0.00 O ATOM 377 CB ALA A 25 11.031 -5.308 0.563 1.00 0.00 C ATOM 0 H ALA A 25 9.256 -4.527 1.915 1.00 0.00 H new ATOM 0 HA ALA A 25 11.880 -5.450 2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.962 -5.544 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.430 -6.213 0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.478 -4.564 -0.010 1.00 0.00 H new ATOM 383 N TYR A 26 11.904 -2.314 1.508 1.00 0.00 N ATOM 384 CA TYR A 26 12.781 -1.116 1.423 1.00 0.00 C ATOM 385 C TYR A 26 13.167 -0.487 2.807 1.00 0.00 C ATOM 386 O TYR A 26 14.276 0.046 2.922 1.00 0.00 O ATOM 387 CB TYR A 26 12.076 -0.040 0.536 1.00 0.00 C ATOM 388 CG TYR A 26 11.718 -0.317 -0.948 1.00 0.00 C ATOM 389 CD1 TYR A 26 12.204 -1.414 -1.675 1.00 0.00 C ATOM 390 CD2 TYR A 26 10.831 0.569 -1.575 1.00 0.00 C ATOM 391 CE1 TYR A 26 11.790 -1.632 -2.987 1.00 0.00 C ATOM 392 CE2 TYR A 26 10.425 0.353 -2.892 1.00 0.00 C ATOM 393 CZ TYR A 26 10.903 -0.750 -3.593 1.00 0.00 C ATOM 394 OH TYR A 26 10.493 -0.991 -4.878 1.00 0.00 O ATOM 0 H TYR A 26 10.934 -2.126 1.256 1.00 0.00 H new ATOM 0 HA TYR A 26 13.720 -1.452 0.984 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.148 0.227 1.041 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.711 0.846 0.548 1.00 0.00 H new ATOM 0 HD1 TYR A 26 12.904 -2.095 -1.214 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.459 1.426 -1.034 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.159 -2.487 -3.534 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.741 1.041 -3.367 1.00 0.00 H new ATOM 0 HH TYR A 26 9.686 -0.469 -5.067 1.00 0.00 H new ATOM 404 N ARG A 27 12.333 -0.580 3.869 1.00 0.00 N ATOM 405 CA ARG A 27 12.755 -0.296 5.275 1.00 0.00 C ATOM 406 C ARG A 27 13.689 -1.428 5.864 1.00 0.00 C ATOM 407 O ARG A 27 13.377 -2.095 6.855 1.00 0.00 O ATOM 408 CB ARG A 27 11.421 -0.103 6.062 1.00 0.00 C ATOM 409 CG ARG A 27 11.537 0.480 7.496 1.00 0.00 C ATOM 410 CD ARG A 27 11.514 2.024 7.624 1.00 0.00 C ATOM 411 NE ARG A 27 12.642 2.733 6.949 1.00 0.00 N ATOM 412 CZ ARG A 27 13.891 2.829 7.407 1.00 0.00 C ATOM 413 NH1 ARG A 27 14.289 2.298 8.534 1.00 0.00 N ATOM 414 NH2 ARG A 27 14.757 3.480 6.690 1.00 0.00 N ATOM 0 H ARG A 27 11.353 -0.852 3.784 1.00 0.00 H new ATOM 0 HA ARG A 27 13.378 0.596 5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.774 0.552 5.479 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.921 -1.069 6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.720 0.077 8.094 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.465 0.116 7.937 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.575 2.393 7.212 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.522 2.285 8.682 1.00 0.00 H new ATOM 0 HE ARG A 27 12.439 3.185 6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.630 1.777 9.113 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.258 2.404 8.834 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.474 3.900 5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.720 3.571 7.012 1.00 0.00 H new ATOM 428 N ARG A 28 14.853 -1.628 5.220 1.00 0.00 N ATOM 429 CA ARG A 28 15.825 -2.707 5.500 1.00 0.00 C ATOM 430 C ARG A 28 17.238 -2.295 4.961 1.00 0.00 C ATOM 431 O ARG A 28 18.190 -2.324 5.743 1.00 0.00 O ATOM 432 CB ARG A 28 15.422 -4.077 4.865 1.00 0.00 C ATOM 433 CG ARG A 28 14.097 -4.741 5.317 1.00 0.00 C ATOM 434 CD ARG A 28 13.949 -6.164 4.748 1.00 0.00 C ATOM 435 NE ARG A 28 12.588 -6.712 5.008 1.00 0.00 N ATOM 436 CZ ARG A 28 12.211 -7.965 4.747 1.00 0.00 C ATOM 437 NH1 ARG A 28 13.027 -8.895 4.314 1.00 0.00 N ATOM 438 NH2 ARG A 28 10.968 -8.290 4.931 1.00 0.00 N ATOM 0 H ARG A 28 15.157 -1.020 4.460 1.00 0.00 H new ATOM 0 HA ARG A 28 15.841 -2.840 6.582 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.372 -3.940 3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.230 -4.783 5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.062 -4.779 6.406 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.255 -4.130 4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.139 -6.150 3.675 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.698 -6.817 5.196 1.00 0.00 H new ATOM 0 HE ARG A 28 11.895 -6.084 5.415 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.011 -8.678 4.159 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.678 -9.836 4.133 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.303 -7.594 5.268 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.656 -9.242 4.738 1.00 0.00 H new ATOM 452 N TYR A 29 17.406 -1.940 3.657 1.00 0.00 N ATOM 453 CA TYR A 29 18.754 -1.606 3.085 1.00 0.00 C ATOM 454 C TYR A 29 19.441 -0.326 3.692 1.00 0.00 C ATOM 455 O TYR A 29 20.662 -0.342 3.866 1.00 0.00 O ATOM 456 CB TYR A 29 18.625 -1.515 1.531 1.00 0.00 C ATOM 457 CG TYR A 29 17.681 -0.491 0.854 1.00 0.00 C ATOM 458 CD1 TYR A 29 18.029 0.864 0.771 1.00 0.00 C ATOM 459 CD2 TYR A 29 16.509 -0.932 0.229 1.00 0.00 C ATOM 460 CE1 TYR A 29 17.197 1.767 0.111 1.00 0.00 C ATOM 461 CE2 TYR A 29 15.694 -0.030 -0.454 1.00 0.00 C ATOM 462 CZ TYR A 29 16.029 1.317 -0.499 1.00 0.00 C ATOM 463 OH TYR A 29 15.204 2.191 -1.156 1.00 0.00 O ATOM 0 H TYR A 29 16.641 -1.876 2.986 1.00 0.00 H new ATOM 0 HA TYR A 29 19.430 -2.413 3.369 1.00 0.00 H new ATOM 0 HB2 TYR A 29 19.626 -1.329 1.141 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.325 -2.502 1.180 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.947 1.211 1.221 1.00 0.00 H new ATOM 0 HD2 TYR A 29 16.235 -1.976 0.276 1.00 0.00 H new ATOM 0 HE1 TYR A 29 17.458 2.814 0.073 1.00 0.00 H new ATOM 0 HE2 TYR A 29 14.800 -0.380 -0.949 1.00 0.00 H new ATOM 0 HH TYR A 29 14.436 1.704 -1.522 1.00 0.00 H new ATOM 473 N THR A 30 18.698 0.736 4.056 1.00 0.00 N ATOM 474 CA THR A 30 19.190 1.775 5.003 1.00 0.00 C ATOM 475 C THR A 30 18.373 1.631 6.336 1.00 0.00 C ATOM 476 O THR A 30 17.224 2.086 6.395 1.00 0.00 O ATOM 477 CB THR A 30 19.128 3.197 4.361 1.00 0.00 C ATOM 478 OG1 THR A 30 19.519 4.165 5.332 1.00 0.00 O ATOM 479 CG2 THR A 30 17.772 3.687 3.811 1.00 0.00 C ATOM 0 H THR A 30 17.752 0.904 3.712 1.00 0.00 H new ATOM 0 HA THR A 30 20.245 1.631 5.238 1.00 0.00 H new ATOM 0 HB THR A 30 19.789 3.097 3.500 1.00 0.00 H new ATOM 0 HG1 THR A 30 18.736 4.439 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 30 17.888 4.689 3.398 1.00 0.00 H new ATOM 0 HG22 THR A 30 17.430 3.009 3.029 1.00 0.00 H new ATOM 0 HG23 THR A 30 17.039 3.709 4.617 1.00 0.00 H new ATOM 487 N PRO A 31 18.921 1.063 7.453 1.00 0.00 N ATOM 488 CA PRO A 31 18.281 1.133 8.802 1.00 0.00 C ATOM 489 C PRO A 31 17.877 2.563 9.299 1.00 0.00 C ATOM 490 O PRO A 31 16.751 2.754 9.765 1.00 0.00 O ATOM 491 CB PRO A 31 19.338 0.448 9.696 1.00 0.00 C ATOM 492 CG PRO A 31 20.103 -0.489 8.759 1.00 0.00 C ATOM 493 CD PRO A 31 20.169 0.276 7.438 1.00 0.00 C ATOM 0 HA PRO A 31 17.304 0.650 8.809 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.004 1.181 10.151 1.00 0.00 H new ATOM 0 HB3 PRO A 31 18.868 -0.105 10.510 1.00 0.00 H new ATOM 0 HG2 PRO A 31 21.099 -0.709 9.142 1.00 0.00 H new ATOM 0 HG3 PRO A 31 19.588 -1.443 8.642 1.00 0.00 H new ATOM 0 HD2 PRO A 31 21.050 0.916 7.385 1.00 0.00 H new ATOM 0 HD3 PRO A 31 20.212 -0.398 6.582 1.00 0.00 H new ATOM 501 N TYR A 32 18.748 3.566 9.105 1.00 0.00 N ATOM 502 CA TYR A 32 18.414 5.000 9.328 1.00 0.00 C ATOM 503 C TYR A 32 17.691 5.623 8.094 1.00 0.00 C ATOM 504 O TYR A 32 17.704 5.163 6.949 1.00 0.00 O ATOM 505 CB TYR A 32 19.733 5.771 9.631 1.00 0.00 C ATOM 506 CG TYR A 32 20.453 5.395 10.942 1.00 0.00 C ATOM 507 CD1 TYR A 32 19.932 5.799 12.177 1.00 0.00 C ATOM 508 CD2 TYR A 32 21.627 4.632 10.911 1.00 0.00 C ATOM 509 CE1 TYR A 32 20.571 5.439 13.361 1.00 0.00 C ATOM 510 CE2 TYR A 32 22.265 4.274 12.097 1.00 0.00 C ATOM 511 CZ TYR A 32 21.736 4.677 13.320 1.00 0.00 C ATOM 512 OH TYR A 32 22.352 4.322 14.490 1.00 0.00 O ATOM 513 OXT TYR A 32 17.016 6.764 8.420 1.00 0.00 O ATOM 0 H TYR A 32 19.706 3.416 8.789 1.00 0.00 H new ATOM 0 HA TYR A 32 17.727 5.077 10.171 1.00 0.00 H new ATOM 0 HB2 TYR A 32 20.423 5.610 8.802 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.509 6.837 9.656 1.00 0.00 H new ATOM 0 HD1 TYR A 32 19.030 6.393 12.212 1.00 0.00 H new ATOM 0 HD2 TYR A 32 22.040 4.320 9.963 1.00 0.00 H new ATOM 0 HE1 TYR A 32 20.163 5.751 14.311 1.00 0.00 H new ATOM 0 HE2 TYR A 32 23.169 3.684 12.067 1.00 0.00 H new ATOM 0 HH TYR A 32 23.151 3.791 14.291 1.00 0.00 H new TER 523 TYR A 32