USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=5 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 Single : A 1 ASN : amide:sc= -0.908 K(o=-0.91,f=-2.5!) USER MOD Single : A 1 ASN N :NH3+ -130:sc= 0.644! (180deg=-0.175) USER MOD Single : A 8 GLN : amide:sc= -0.918 K(o=-0.92,f=-0.099) USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= -0.172 (180deg=-0.938) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 15 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.2) USER MOD Single : A 17 THR OG1 : rot 63:sc= 0.943 USER MOD Single : A 18 SER OG : rot -90:sc= -1.26! USER MOD Single : A 24 GLN : amide:sc= -1.84! K(o=-1.8!,f=-0.57) USER MOD Single : A 25 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.062) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 40.524 -35.001 13.388 1.00 0.00 N ATOM 2 CA ASN A 1 39.578 -35.932 14.067 1.00 0.00 C ATOM 3 C ASN A 1 39.850 -37.363 13.598 1.00 0.00 C ATOM 4 O ASN A 1 39.425 -37.769 12.534 1.00 0.00 O ATOM 5 CB ASN A 1 38.141 -35.545 13.715 1.00 0.00 C ATOM 6 CG ASN A 1 38.007 -35.402 12.198 1.00 0.00 C ATOM 7 OD1 ASN A 1 38.506 -34.457 11.620 1.00 0.00 O ATOM 8 ND2 ASN A 1 37.352 -36.306 11.525 1.00 0.00 N ATOM 0 H1 ASN A 1 40.976 -34.388 14.096 1.00 0.00 H new ATOM 0 H2 ASN A 1 41.253 -35.550 12.889 1.00 0.00 H new ATOM 0 H3 ASN A 1 40.004 -34.415 12.705 1.00 0.00 H new ATOM 0 HA ASN A 1 39.717 -35.869 15.146 1.00 0.00 H new ATOM 0 HB2 ASN A 1 37.449 -36.303 14.082 1.00 0.00 H new ATOM 0 HB3 ASN A 1 37.876 -34.608 14.204 1.00 0.00 H new ATOM 0 HD21 ASN A 1 37.258 -36.220 10.513 1.00 0.00 H new ATOM 0 HD22 ASN A 1 36.933 -37.099 12.010 1.00 0.00 H new ATOM 17 N GLU A 2 40.555 -38.131 14.382 1.00 0.00 N ATOM 18 CA GLU A 2 40.853 -39.534 13.978 1.00 0.00 C ATOM 19 C GLU A 2 39.539 -40.304 13.806 1.00 0.00 C ATOM 20 O GLU A 2 39.502 -41.362 13.212 1.00 0.00 O ATOM 21 CB GLU A 2 41.709 -40.205 15.058 1.00 0.00 C ATOM 22 CG GLU A 2 42.367 -41.464 14.487 1.00 0.00 C ATOM 23 CD GLU A 2 42.941 -42.302 15.631 1.00 0.00 C ATOM 24 OE1 GLU A 2 42.215 -43.133 16.152 1.00 0.00 O ATOM 25 OE2 GLU A 2 44.097 -42.101 15.963 1.00 0.00 O ATOM 0 H GLU A 2 40.937 -37.848 15.284 1.00 0.00 H new ATOM 0 HA GLU A 2 41.398 -39.536 13.034 1.00 0.00 H new ATOM 0 HB2 GLU A 2 42.473 -39.513 15.412 1.00 0.00 H new ATOM 0 HB3 GLU A 2 41.090 -40.464 15.917 1.00 0.00 H new ATOM 0 HG2 GLU A 2 41.636 -42.047 13.926 1.00 0.00 H new ATOM 0 HG3 GLU A 2 43.159 -41.189 13.790 1.00 0.00 H new ATOM 32 N LEU A 3 38.458 -39.776 14.319 1.00 0.00 N ATOM 33 CA LEU A 3 37.147 -40.475 14.181 1.00 0.00 C ATOM 34 C LEU A 3 36.524 -40.105 12.833 1.00 0.00 C ATOM 35 O LEU A 3 37.136 -39.446 12.016 1.00 0.00 O ATOM 36 CB LEU A 3 36.194 -40.039 15.307 1.00 0.00 C ATOM 37 CG LEU A 3 36.748 -40.424 16.696 1.00 0.00 C ATOM 38 CD1 LEU A 3 37.047 -41.931 16.757 1.00 0.00 C ATOM 39 CD2 LEU A 3 38.027 -39.622 17.009 1.00 0.00 C ATOM 0 H LEU A 3 38.427 -38.892 14.827 1.00 0.00 H new ATOM 0 HA LEU A 3 37.307 -41.551 14.242 1.00 0.00 H new ATOM 0 HB2 LEU A 3 36.043 -38.961 15.260 1.00 0.00 H new ATOM 0 HB3 LEU A 3 35.219 -40.504 15.161 1.00 0.00 H new ATOM 0 HG LEU A 3 35.991 -40.184 17.443 1.00 0.00 H new ATOM 0 HD11 LEU A 3 37.437 -42.185 17.743 1.00 0.00 H new ATOM 0 HD12 LEU A 3 36.130 -42.492 16.574 1.00 0.00 H new ATOM 0 HD13 LEU A 3 37.786 -42.186 15.998 1.00 0.00 H new ATOM 0 HD21 LEU A 3 38.403 -39.906 17.992 1.00 0.00 H new ATOM 0 HD22 LEU A 3 38.784 -39.836 16.255 1.00 0.00 H new ATOM 0 HD23 LEU A 3 37.799 -38.556 17.002 1.00 0.00 H new ATOM 51 N ASP A 4 35.309 -40.523 12.596 1.00 0.00 N ATOM 52 CA ASP A 4 34.647 -40.193 11.302 1.00 0.00 C ATOM 53 C ASP A 4 33.185 -40.644 11.346 1.00 0.00 C ATOM 54 O ASP A 4 32.777 -41.524 10.613 1.00 0.00 O ATOM 55 CB ASP A 4 35.368 -40.914 10.160 1.00 0.00 C ATOM 56 CG ASP A 4 35.423 -42.414 10.457 1.00 0.00 C ATOM 57 OD1 ASP A 4 35.862 -42.768 11.538 1.00 0.00 O ATOM 58 OD2 ASP A 4 35.025 -43.183 9.597 1.00 0.00 O ATOM 0 H ASP A 4 34.748 -41.078 13.242 1.00 0.00 H new ATOM 0 HA ASP A 4 34.691 -39.116 11.137 1.00 0.00 H new ATOM 0 HB2 ASP A 4 34.848 -40.738 9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 4 36.377 -40.518 10.045 1.00 0.00 H new ATOM 63 N VAL A 5 32.393 -40.045 12.201 1.00 0.00 N ATOM 64 CA VAL A 5 30.950 -40.421 12.310 1.00 0.00 C ATOM 65 C VAL A 5 30.090 -39.275 11.758 1.00 0.00 C ATOM 66 O VAL A 5 30.468 -38.124 11.848 1.00 0.00 O ATOM 67 CB VAL A 5 30.609 -40.620 13.793 1.00 0.00 C ATOM 68 CG1 VAL A 5 31.038 -42.013 14.253 1.00 0.00 C ATOM 69 CG2 VAL A 5 31.344 -39.567 14.624 1.00 0.00 C ATOM 0 H VAL A 5 32.689 -39.303 12.835 1.00 0.00 H new ATOM 0 HA VAL A 5 30.758 -41.335 11.748 1.00 0.00 H new ATOM 0 HB VAL A 5 29.532 -40.518 13.927 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.790 -42.141 15.307 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.517 -42.767 13.664 1.00 0.00 H new ATOM 0 HG13 VAL A 5 32.114 -42.126 14.117 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.105 -39.704 15.679 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.419 -39.674 14.479 1.00 0.00 H new ATOM 0 HG23 VAL A 5 31.032 -38.571 14.308 1.00 0.00 H new ATOM 79 N PRO A 6 28.928 -39.568 11.220 1.00 0.00 N ATOM 80 CA PRO A 6 28.016 -38.512 10.697 1.00 0.00 C ATOM 81 C PRO A 6 27.376 -37.749 11.860 1.00 0.00 C ATOM 82 O PRO A 6 26.274 -37.246 11.764 1.00 0.00 O ATOM 83 CB PRO A 6 26.958 -39.296 9.905 1.00 0.00 C ATOM 84 CG PRO A 6 26.939 -40.658 10.528 1.00 0.00 C ATOM 85 CD PRO A 6 28.358 -40.918 11.049 1.00 0.00 C ATOM 0 HA PRO A 6 28.526 -37.769 10.083 1.00 0.00 H new ATOM 0 HB2 PRO A 6 25.981 -38.818 9.971 1.00 0.00 H new ATOM 0 HB3 PRO A 6 27.216 -39.349 8.847 1.00 0.00 H new ATOM 0 HG2 PRO A 6 26.213 -40.703 11.340 1.00 0.00 H new ATOM 0 HG3 PRO A 6 26.649 -41.414 9.799 1.00 0.00 H new ATOM 0 HD2 PRO A 6 28.343 -41.467 11.990 1.00 0.00 H new ATOM 0 HD3 PRO A 6 28.940 -41.511 10.343 1.00 0.00 H new ATOM 93 N GLU A 7 28.071 -37.672 12.962 1.00 0.00 N ATOM 94 CA GLU A 7 27.533 -36.959 14.152 1.00 0.00 C ATOM 95 C GLU A 7 27.167 -35.526 13.761 1.00 0.00 C ATOM 96 O GLU A 7 26.212 -34.963 14.249 1.00 0.00 O ATOM 97 CB GLU A 7 28.613 -36.953 15.254 1.00 0.00 C ATOM 98 CG GLU A 7 27.966 -36.977 16.644 1.00 0.00 C ATOM 99 CD GLU A 7 26.856 -35.925 16.724 1.00 0.00 C ATOM 100 OE1 GLU A 7 27.147 -34.767 16.475 1.00 0.00 O ATOM 101 OE2 GLU A 7 25.735 -36.297 17.028 1.00 0.00 O ATOM 0 H GLU A 7 28.998 -38.078 13.088 1.00 0.00 H new ATOM 0 HA GLU A 7 26.639 -37.461 14.523 1.00 0.00 H new ATOM 0 HB2 GLU A 7 29.266 -37.818 15.136 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.238 -36.066 15.153 1.00 0.00 H new ATOM 0 HG2 GLU A 7 27.556 -37.966 16.846 1.00 0.00 H new ATOM 0 HG3 GLU A 7 28.719 -36.782 17.408 1.00 0.00 H new ATOM 108 N GLN A 8 27.926 -34.943 12.877 1.00 0.00 N ATOM 109 CA GLN A 8 27.638 -33.555 12.440 1.00 0.00 C ATOM 110 C GLN A 8 26.438 -33.562 11.499 1.00 0.00 C ATOM 111 O GLN A 8 25.458 -32.881 11.725 1.00 0.00 O ATOM 112 CB GLN A 8 28.860 -32.996 11.720 1.00 0.00 C ATOM 113 CG GLN A 8 30.053 -32.968 12.680 1.00 0.00 C ATOM 114 CD GLN A 8 29.912 -31.785 13.641 1.00 0.00 C ATOM 115 OE1 GLN A 8 30.170 -31.912 14.822 1.00 0.00 O ATOM 116 NE2 GLN A 8 29.511 -30.631 13.181 1.00 0.00 N ATOM 0 H GLN A 8 28.739 -35.374 12.437 1.00 0.00 H new ATOM 0 HA GLN A 8 27.411 -32.931 13.304 1.00 0.00 H new ATOM 0 HB2 GLN A 8 29.094 -33.610 10.850 1.00 0.00 H new ATOM 0 HB3 GLN A 8 28.651 -31.991 11.354 1.00 0.00 H new ATOM 0 HG2 GLN A 8 30.103 -33.901 13.241 1.00 0.00 H new ATOM 0 HG3 GLN A 8 30.983 -32.884 12.118 1.00 0.00 H new ATOM 0 HE21 GLN A 8 29.295 -30.524 12.190 1.00 0.00 H new ATOM 0 HE22 GLN A 8 29.414 -29.836 13.813 1.00 0.00 H new ATOM 125 N VAL A 9 26.511 -34.326 10.442 1.00 0.00 N ATOM 126 CA VAL A 9 25.379 -34.389 9.473 1.00 0.00 C ATOM 127 C VAL A 9 24.061 -34.485 10.241 1.00 0.00 C ATOM 128 O VAL A 9 23.035 -34.008 9.798 1.00 0.00 O ATOM 129 CB VAL A 9 25.551 -35.623 8.583 1.00 0.00 C ATOM 130 CG1 VAL A 9 24.473 -35.637 7.498 1.00 0.00 C ATOM 131 CG2 VAL A 9 26.934 -35.587 7.929 1.00 0.00 C ATOM 0 H VAL A 9 27.312 -34.913 10.207 1.00 0.00 H new ATOM 0 HA VAL A 9 25.369 -33.492 8.854 1.00 0.00 H new ATOM 0 HB VAL A 9 25.456 -36.522 9.192 1.00 0.00 H new ATOM 0 HG11 VAL A 9 24.602 -36.518 6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 9 23.488 -35.665 7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.560 -34.739 6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 9 27.059 -36.464 7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 9 27.027 -34.685 7.324 1.00 0.00 H new ATOM 0 HG23 VAL A 9 27.702 -35.586 8.702 1.00 0.00 H new ATOM 141 N ASP A 10 24.088 -35.076 11.403 1.00 0.00 N ATOM 142 CA ASP A 10 22.840 -35.171 12.207 1.00 0.00 C ATOM 143 C ASP A 10 22.346 -33.751 12.473 1.00 0.00 C ATOM 144 O ASP A 10 21.338 -33.329 11.944 1.00 0.00 O ATOM 145 CB ASP A 10 23.132 -35.875 13.535 1.00 0.00 C ATOM 146 CG ASP A 10 23.624 -37.298 13.261 1.00 0.00 C ATOM 147 OD1 ASP A 10 23.948 -37.583 12.120 1.00 0.00 O ATOM 148 OD2 ASP A 10 23.669 -38.078 14.198 1.00 0.00 O ATOM 0 H ASP A 10 24.915 -35.495 11.828 1.00 0.00 H new ATOM 0 HA ASP A 10 22.083 -35.743 11.670 1.00 0.00 H new ATOM 0 HB2 ASP A 10 23.885 -35.320 14.095 1.00 0.00 H new ATOM 0 HB3 ASP A 10 22.232 -35.902 14.150 1.00 0.00 H new ATOM 153 N LYS A 11 23.059 -33.026 13.308 1.00 0.00 N ATOM 154 CA LYS A 11 22.663 -31.617 13.648 1.00 0.00 C ATOM 155 C LYS A 11 22.034 -30.943 12.419 1.00 0.00 C ATOM 156 O LYS A 11 21.035 -30.259 12.522 1.00 0.00 O ATOM 157 CB LYS A 11 23.900 -30.810 14.095 1.00 0.00 C ATOM 158 CG LYS A 11 24.321 -31.189 15.544 1.00 0.00 C ATOM 159 CD LYS A 11 25.449 -32.251 15.530 1.00 0.00 C ATOM 160 CE LYS A 11 26.826 -31.574 15.571 1.00 0.00 C ATOM 161 NZ LYS A 11 26.982 -30.819 16.848 1.00 0.00 N ATOM 0 H LYS A 11 23.906 -33.354 13.772 1.00 0.00 H new ATOM 0 HA LYS A 11 21.938 -31.643 14.462 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.728 -30.998 13.411 1.00 0.00 H new ATOM 0 HB3 LYS A 11 23.681 -29.744 14.044 1.00 0.00 H new ATOM 0 HG2 LYS A 11 24.660 -30.299 16.073 1.00 0.00 H new ATOM 0 HG3 LYS A 11 23.459 -31.575 16.089 1.00 0.00 H new ATOM 0 HD2 LYS A 11 25.339 -32.918 16.385 1.00 0.00 H new ATOM 0 HD3 LYS A 11 25.366 -32.866 14.634 1.00 0.00 H new ATOM 0 HE2 LYS A 11 27.612 -32.324 15.483 1.00 0.00 H new ATOM 0 HE3 LYS A 11 26.934 -30.898 14.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 27.988 -30.785 17.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 26.623 -29.851 16.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 26.444 -31.294 17.600 1.00 0.00 H new ATOM 175 N LEU A 12 22.597 -31.144 11.256 1.00 0.00 N ATOM 176 CA LEU A 12 22.012 -30.529 10.034 1.00 0.00 C ATOM 177 C LEU A 12 20.597 -31.084 9.839 1.00 0.00 C ATOM 178 O LEU A 12 19.647 -30.344 9.681 1.00 0.00 O ATOM 179 CB LEU A 12 22.889 -30.868 8.807 1.00 0.00 C ATOM 180 CG LEU A 12 23.987 -29.807 8.580 1.00 0.00 C ATOM 181 CD1 LEU A 12 23.402 -28.573 7.870 1.00 0.00 C ATOM 182 CD2 LEU A 12 24.628 -29.394 9.917 1.00 0.00 C ATOM 0 H LEU A 12 23.434 -31.706 11.103 1.00 0.00 H new ATOM 0 HA LEU A 12 21.972 -29.445 10.143 1.00 0.00 H new ATOM 0 HB2 LEU A 12 23.351 -31.845 8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.261 -30.938 7.919 1.00 0.00 H new ATOM 0 HG LEU A 12 24.758 -30.244 7.946 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.189 -27.834 7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 12 22.990 -28.869 6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.612 -28.140 8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.399 -28.646 9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.864 -28.976 10.573 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.075 -30.268 10.391 1.00 0.00 H new ATOM 194 N ILE A 13 20.450 -32.381 9.859 1.00 0.00 N ATOM 195 CA ILE A 13 19.096 -32.971 9.687 1.00 0.00 C ATOM 196 C ILE A 13 18.166 -32.335 10.716 1.00 0.00 C ATOM 197 O ILE A 13 17.116 -31.817 10.390 1.00 0.00 O ATOM 198 CB ILE A 13 19.156 -34.487 9.904 1.00 0.00 C ATOM 199 CG1 ILE A 13 19.925 -35.134 8.747 1.00 0.00 C ATOM 200 CG2 ILE A 13 17.735 -35.056 9.949 1.00 0.00 C ATOM 201 CD1 ILE A 13 20.222 -36.599 9.078 1.00 0.00 C ATOM 0 H ILE A 13 21.206 -33.053 9.987 1.00 0.00 H new ATOM 0 HA ILE A 13 18.728 -32.781 8.679 1.00 0.00 H new ATOM 0 HB ILE A 13 19.661 -34.699 10.846 1.00 0.00 H new ATOM 0 HG12 ILE A 13 19.341 -35.070 7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 13 20.856 -34.595 8.571 1.00 0.00 H new ATOM 0 HG21 ILE A 13 17.779 -36.134 10.103 1.00 0.00 H new ATOM 0 HG22 ILE A 13 17.184 -34.595 10.769 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.229 -34.845 9.007 1.00 0.00 H new ATOM 0 HD11 ILE A 13 20.769 -37.055 8.253 1.00 0.00 H new ATOM 0 HD12 ILE A 13 20.824 -36.652 9.985 1.00 0.00 H new ATOM 0 HD13 ILE A 13 19.285 -37.134 9.232 1.00 0.00 H new ATOM 213 N GLN A 14 18.553 -32.363 11.961 1.00 0.00 N ATOM 214 CA GLN A 14 17.709 -31.755 13.019 1.00 0.00 C ATOM 215 C GLN A 14 17.485 -30.277 12.694 1.00 0.00 C ATOM 216 O GLN A 14 16.379 -29.780 12.751 1.00 0.00 O ATOM 217 CB GLN A 14 18.423 -31.887 14.363 1.00 0.00 C ATOM 218 CG GLN A 14 18.662 -33.367 14.672 1.00 0.00 C ATOM 219 CD GLN A 14 19.044 -33.527 16.145 1.00 0.00 C ATOM 220 OE1 GLN A 14 19.767 -32.717 16.689 1.00 0.00 O ATOM 221 NE2 GLN A 14 18.584 -34.548 16.817 1.00 0.00 N ATOM 0 H GLN A 14 19.422 -32.784 12.289 1.00 0.00 H new ATOM 0 HA GLN A 14 16.746 -32.264 13.068 1.00 0.00 H new ATOM 0 HB2 GLN A 14 19.373 -31.352 14.336 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.823 -31.432 15.151 1.00 0.00 H new ATOM 0 HG2 GLN A 14 17.764 -33.944 14.454 1.00 0.00 H new ATOM 0 HG3 GLN A 14 19.455 -33.759 14.035 1.00 0.00 H new ATOM 0 HE21 GLN A 14 17.977 -35.228 16.359 1.00 0.00 H new ATOM 0 HE22 GLN A 14 18.832 -34.665 17.799 1.00 0.00 H new ATOM 230 N GLN A 15 18.529 -29.572 12.345 1.00 0.00 N ATOM 231 CA GLN A 15 18.377 -28.128 12.008 1.00 0.00 C ATOM 232 C GLN A 15 17.508 -27.994 10.756 1.00 0.00 C ATOM 233 O GLN A 15 16.451 -27.394 10.784 1.00 0.00 O ATOM 234 CB GLN A 15 19.758 -27.521 11.745 1.00 0.00 C ATOM 235 CG GLN A 15 20.489 -27.316 13.074 1.00 0.00 C ATOM 236 CD GLN A 15 19.872 -26.131 13.819 1.00 0.00 C ATOM 237 OE1 GLN A 15 19.120 -26.313 14.757 1.00 0.00 O ATOM 238 NE2 GLN A 15 20.158 -24.916 13.439 1.00 0.00 N ATOM 0 H GLN A 15 19.480 -29.935 12.279 1.00 0.00 H new ATOM 0 HA GLN A 15 17.904 -27.602 12.837 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.338 -28.178 11.097 1.00 0.00 H new ATOM 0 HB3 GLN A 15 19.655 -26.569 11.224 1.00 0.00 H new ATOM 0 HG2 GLN A 15 20.419 -28.218 13.682 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.549 -27.134 12.894 1.00 0.00 H new ATOM 0 HE21 GLN A 15 20.789 -24.763 12.652 1.00 0.00 H new ATOM 0 HE22 GLN A 15 19.751 -24.119 13.929 1.00 0.00 H new ATOM 247 N ALA A 16 17.936 -28.551 9.656 1.00 0.00 N ATOM 248 CA ALA A 16 17.121 -28.455 8.413 1.00 0.00 C ATOM 249 C ALA A 16 15.719 -29.002 8.692 1.00 0.00 C ATOM 250 O ALA A 16 14.727 -28.426 8.293 1.00 0.00 O ATOM 251 CB ALA A 16 17.779 -29.273 7.302 1.00 0.00 C ATOM 0 H ALA A 16 18.811 -29.066 9.565 1.00 0.00 H new ATOM 0 HA ALA A 16 17.054 -27.414 8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.181 -29.201 6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.779 -28.886 7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.847 -30.316 7.610 1.00 0.00 H new ATOM 257 N THR A 17 15.630 -30.101 9.389 1.00 0.00 N ATOM 258 CA THR A 17 14.289 -30.666 9.704 1.00 0.00 C ATOM 259 C THR A 17 13.478 -29.603 10.442 1.00 0.00 C ATOM 260 O THR A 17 12.421 -29.193 10.002 1.00 0.00 O ATOM 261 CB THR A 17 14.439 -31.903 10.594 1.00 0.00 C ATOM 262 OG1 THR A 17 15.082 -32.938 9.863 1.00 0.00 O ATOM 263 CG2 THR A 17 13.056 -32.378 11.048 1.00 0.00 C ATOM 0 H THR A 17 16.423 -30.629 9.752 1.00 0.00 H new ATOM 0 HA THR A 17 13.784 -30.955 8.782 1.00 0.00 H new ATOM 0 HB THR A 17 15.039 -31.651 11.468 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.986 -32.652 9.617 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.164 -33.259 11.681 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.565 -31.584 11.611 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.453 -32.630 10.175 1.00 0.00 H new ATOM 271 N SER A 18 13.973 -29.146 11.561 1.00 0.00 N ATOM 272 CA SER A 18 13.244 -28.100 12.333 1.00 0.00 C ATOM 273 C SER A 18 12.784 -26.991 11.378 1.00 0.00 C ATOM 274 O SER A 18 11.642 -26.954 10.965 1.00 0.00 O ATOM 275 CB SER A 18 14.185 -27.521 13.404 1.00 0.00 C ATOM 276 OG SER A 18 15.524 -27.585 12.935 1.00 0.00 O ATOM 0 H SER A 18 14.853 -29.453 11.974 1.00 0.00 H new ATOM 0 HA SER A 18 12.370 -28.534 12.818 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.913 -26.489 13.624 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.086 -28.082 14.334 1.00 0.00 H new ATOM 0 HG SER A 18 15.926 -28.436 13.207 1.00 0.00 H new ATOM 282 N ILE A 19 13.669 -26.086 11.038 1.00 0.00 N ATOM 283 CA ILE A 19 13.328 -24.954 10.121 1.00 0.00 C ATOM 284 C ILE A 19 12.312 -25.391 9.051 1.00 0.00 C ATOM 285 O ILE A 19 11.284 -24.768 8.873 1.00 0.00 O ATOM 286 CB ILE A 19 14.646 -24.479 9.459 1.00 0.00 C ATOM 287 CG1 ILE A 19 15.365 -23.485 10.382 1.00 0.00 C ATOM 288 CG2 ILE A 19 14.381 -23.799 8.108 1.00 0.00 C ATOM 289 CD1 ILE A 19 15.783 -24.182 11.679 1.00 0.00 C ATOM 0 H ILE A 19 14.635 -26.085 11.365 1.00 0.00 H new ATOM 0 HA ILE A 19 12.866 -24.143 10.684 1.00 0.00 H new ATOM 0 HB ILE A 19 15.268 -25.358 9.292 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.242 -23.079 9.879 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.708 -22.644 10.607 1.00 0.00 H new ATOM 0 HG21 ILE A 19 15.326 -23.478 7.671 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.891 -24.504 7.436 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.737 -22.932 8.257 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.292 -23.469 12.327 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.898 -24.567 12.187 1.00 0.00 H new ATOM 0 HD13 ILE A 19 16.456 -25.007 11.448 1.00 0.00 H new ATOM 301 N GLU A 20 12.599 -26.436 8.330 1.00 0.00 N ATOM 302 CA GLU A 20 11.658 -26.888 7.265 1.00 0.00 C ATOM 303 C GLU A 20 10.215 -26.895 7.789 1.00 0.00 C ATOM 304 O GLU A 20 9.348 -26.246 7.241 1.00 0.00 O ATOM 305 CB GLU A 20 12.048 -28.300 6.807 1.00 0.00 C ATOM 306 CG GLU A 20 13.250 -28.225 5.860 1.00 0.00 C ATOM 307 CD GLU A 20 12.789 -27.747 4.482 1.00 0.00 C ATOM 308 OE1 GLU A 20 12.092 -28.499 3.818 1.00 0.00 O ATOM 309 OE2 GLU A 20 13.138 -26.639 4.113 1.00 0.00 O ATOM 0 H GLU A 20 13.444 -26.998 8.430 1.00 0.00 H new ATOM 0 HA GLU A 20 11.719 -26.197 6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.292 -28.918 7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.206 -28.775 6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.999 -27.542 6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.722 -29.204 5.777 1.00 0.00 H new ATOM 316 N ARG A 21 9.943 -27.637 8.827 1.00 0.00 N ATOM 317 CA ARG A 21 8.550 -27.700 9.357 1.00 0.00 C ATOM 318 C ARG A 21 8.253 -26.496 10.258 1.00 0.00 C ATOM 319 O ARG A 21 7.110 -26.165 10.499 1.00 0.00 O ATOM 320 CB ARG A 21 8.373 -28.986 10.168 1.00 0.00 C ATOM 321 CG ARG A 21 8.891 -30.184 9.367 1.00 0.00 C ATOM 322 CD ARG A 21 8.067 -30.348 8.084 1.00 0.00 C ATOM 323 NE ARG A 21 8.236 -31.735 7.561 1.00 0.00 N ATOM 324 CZ ARG A 21 7.485 -32.704 8.012 1.00 0.00 C ATOM 325 NH1 ARG A 21 6.500 -33.158 7.285 1.00 0.00 N ATOM 326 NH2 ARG A 21 7.719 -33.220 9.188 1.00 0.00 N ATOM 0 H ARG A 21 10.625 -28.203 9.332 1.00 0.00 H new ATOM 0 HA ARG A 21 7.859 -27.686 8.514 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.913 -28.908 11.112 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.321 -29.129 10.413 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.942 -30.040 9.119 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.827 -31.090 9.969 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.015 -30.150 8.287 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.390 -29.624 7.336 1.00 0.00 H new ATOM 0 HE ARG A 21 8.940 -31.927 6.849 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.317 -32.756 6.366 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.913 -33.915 7.637 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.489 -32.867 9.756 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.132 -33.977 9.539 1.00 0.00 H new ATOM 340 N LEU A 22 9.262 -25.834 10.758 1.00 0.00 N ATOM 341 CA LEU A 22 9.020 -24.652 11.642 1.00 0.00 C ATOM 342 C LEU A 22 8.856 -23.379 10.796 1.00 0.00 C ATOM 343 O LEU A 22 7.938 -22.609 10.993 1.00 0.00 O ATOM 344 CB LEU A 22 10.215 -24.493 12.607 1.00 0.00 C ATOM 345 CG LEU A 22 9.966 -25.274 13.910 1.00 0.00 C ATOM 346 CD1 LEU A 22 9.710 -26.749 13.597 1.00 0.00 C ATOM 347 CD2 LEU A 22 11.191 -25.159 14.834 1.00 0.00 C ATOM 0 H LEU A 22 10.243 -26.059 10.594 1.00 0.00 H new ATOM 0 HA LEU A 22 8.104 -24.808 12.212 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.126 -24.853 12.129 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.369 -23.438 12.833 1.00 0.00 H new ATOM 0 HG LEU A 22 9.093 -24.852 14.408 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.535 -27.293 14.525 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.834 -26.838 12.954 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.578 -27.169 13.089 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.007 -25.714 15.754 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.066 -25.570 14.331 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.369 -24.111 15.073 1.00 0.00 H new ATOM 359 N CYS A 23 9.759 -23.135 9.886 1.00 0.00 N ATOM 360 CA CYS A 23 9.682 -21.895 9.066 1.00 0.00 C ATOM 361 C CYS A 23 8.571 -21.979 8.013 1.00 0.00 C ATOM 362 O CYS A 23 8.176 -20.976 7.453 1.00 0.00 O ATOM 363 CB CYS A 23 11.030 -21.678 8.381 1.00 0.00 C ATOM 364 SG CYS A 23 12.271 -21.220 9.622 1.00 0.00 S ATOM 0 H CYS A 23 10.549 -23.744 9.675 1.00 0.00 H new ATOM 0 HA CYS A 23 9.447 -21.057 9.723 1.00 0.00 H new ATOM 0 HB2 CYS A 23 11.337 -22.586 7.862 1.00 0.00 H new ATOM 0 HB3 CYS A 23 10.946 -20.894 7.629 1.00 0.00 H new ATOM 369 N GLN A 24 8.057 -23.144 7.728 1.00 0.00 N ATOM 370 CA GLN A 24 6.977 -23.232 6.704 1.00 0.00 C ATOM 371 C GLN A 24 5.659 -22.737 7.312 1.00 0.00 C ATOM 372 O GLN A 24 4.725 -22.408 6.606 1.00 0.00 O ATOM 373 CB GLN A 24 6.829 -24.693 6.247 1.00 0.00 C ATOM 374 CG GLN A 24 7.847 -25.000 5.142 1.00 0.00 C ATOM 375 CD GLN A 24 7.775 -26.485 4.777 1.00 0.00 C ATOM 376 OE1 GLN A 24 8.053 -27.339 5.594 1.00 0.00 O ATOM 377 NE2 GLN A 24 7.408 -26.829 3.573 1.00 0.00 N ATOM 0 H GLN A 24 8.333 -24.029 8.154 1.00 0.00 H new ATOM 0 HA GLN A 24 7.230 -22.611 5.845 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.982 -25.365 7.092 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.817 -24.868 5.880 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.641 -24.389 4.263 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.852 -24.746 5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.174 -26.112 2.887 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.355 -27.815 3.318 1.00 0.00 H new ATOM 386 N HIS A 25 5.572 -22.687 8.615 1.00 0.00 N ATOM 387 CA HIS A 25 4.313 -22.218 9.269 1.00 0.00 C ATOM 388 C HIS A 25 4.354 -20.698 9.452 1.00 0.00 C ATOM 389 O HIS A 25 3.337 -20.062 9.643 1.00 0.00 O ATOM 390 CB HIS A 25 4.173 -22.892 10.636 1.00 0.00 C ATOM 391 CG HIS A 25 3.868 -24.351 10.445 1.00 0.00 C ATOM 392 ND1 HIS A 25 2.953 -25.025 11.239 1.00 0.00 N ATOM 393 CD2 HIS A 25 4.345 -25.279 9.553 1.00 0.00 C ATOM 394 CE1 HIS A 25 2.910 -26.302 10.813 1.00 0.00 C ATOM 395 NE2 HIS A 25 3.740 -26.509 9.787 1.00 0.00 N ATOM 0 H HIS A 25 6.320 -22.951 9.257 1.00 0.00 H new ATOM 0 HA HIS A 25 3.462 -22.479 8.640 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.093 -22.774 11.208 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.378 -22.415 11.209 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.079 -25.083 8.785 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.281 -27.065 11.248 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.896 -27.382 9.283 1.00 0.00 H new ATOM 403 N TYR A 26 5.520 -20.109 9.399 1.00 0.00 N ATOM 404 CA TYR A 26 5.635 -18.633 9.571 1.00 0.00 C ATOM 405 C TYR A 26 5.662 -17.958 8.196 1.00 0.00 C ATOM 406 O TYR A 26 4.965 -18.363 7.286 1.00 0.00 O ATOM 407 CB TYR A 26 6.918 -18.341 10.356 1.00 0.00 C ATOM 408 CG TYR A 26 6.758 -18.854 11.772 1.00 0.00 C ATOM 409 CD1 TYR A 26 5.812 -18.269 12.624 1.00 0.00 C ATOM 410 CD2 TYR A 26 7.550 -19.914 12.233 1.00 0.00 C ATOM 411 CE1 TYR A 26 5.658 -18.744 13.932 1.00 0.00 C ATOM 412 CE2 TYR A 26 7.397 -20.388 13.542 1.00 0.00 C ATOM 413 CZ TYR A 26 6.451 -19.802 14.391 1.00 0.00 C ATOM 414 OH TYR A 26 6.299 -20.270 15.681 1.00 0.00 O ATOM 0 H TYR A 26 6.404 -20.593 9.243 1.00 0.00 H new ATOM 0 HA TYR A 26 4.781 -18.238 10.121 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.771 -18.821 9.876 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.119 -17.270 10.364 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.201 -17.451 12.272 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.280 -20.366 11.578 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.927 -18.294 14.587 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.008 -21.205 13.896 1.00 0.00 H new ATOM 0 HH TYR A 26 6.925 -21.007 15.837 1.00 0.00 H new ATOM 424 N ILE A 27 6.455 -16.934 8.041 1.00 0.00 N ATOM 425 CA ILE A 27 6.546 -16.208 6.728 1.00 0.00 C ATOM 426 C ILE A 27 8.006 -16.222 6.258 1.00 0.00 C ATOM 427 O ILE A 27 8.885 -16.642 6.984 1.00 0.00 O ATOM 428 CB ILE A 27 6.090 -14.750 6.924 1.00 0.00 C ATOM 429 CG1 ILE A 27 4.839 -14.699 7.821 1.00 0.00 C ATOM 430 CG2 ILE A 27 5.775 -14.104 5.570 1.00 0.00 C ATOM 431 CD1 ILE A 27 3.677 -15.510 7.219 1.00 0.00 C ATOM 0 H ILE A 27 7.055 -16.559 8.775 1.00 0.00 H new ATOM 0 HA ILE A 27 5.911 -16.693 5.987 1.00 0.00 H new ATOM 0 HB ILE A 27 6.899 -14.199 7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.083 -15.090 8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.529 -13.663 7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.454 -13.074 5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 27 6.668 -14.116 4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.979 -14.662 5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.812 -15.451 7.879 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.417 -15.103 6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.979 -16.552 7.109 1.00 0.00 H new ATOM 443 N GLY A 28 8.265 -15.772 5.048 1.00 0.00 N ATOM 444 CA GLY A 28 9.670 -15.752 4.513 1.00 0.00 C ATOM 445 C GLY A 28 10.648 -15.393 5.636 1.00 0.00 C ATOM 446 O GLY A 28 11.640 -16.063 5.850 1.00 0.00 O ATOM 0 H GLY A 28 7.559 -15.416 4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.924 -16.726 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.750 -15.027 3.703 1.00 0.00 H new ATOM 450 N TRP A 29 10.352 -14.363 6.379 1.00 0.00 N ATOM 451 CA TRP A 29 11.235 -13.987 7.515 1.00 0.00 C ATOM 452 C TRP A 29 11.005 -15.022 8.623 1.00 0.00 C ATOM 453 O TRP A 29 9.920 -15.120 9.163 1.00 0.00 O ATOM 454 CB TRP A 29 10.860 -12.571 7.994 1.00 0.00 C ATOM 455 CG TRP A 29 11.266 -12.364 9.422 1.00 0.00 C ATOM 456 CD1 TRP A 29 12.538 -12.210 9.856 1.00 0.00 C ATOM 457 CD2 TRP A 29 10.417 -12.284 10.603 1.00 0.00 C ATOM 458 NE1 TRP A 29 12.524 -12.044 11.229 1.00 0.00 N ATOM 459 CE2 TRP A 29 11.239 -12.081 11.736 1.00 0.00 C ATOM 460 CE3 TRP A 29 9.026 -12.368 10.800 1.00 0.00 C ATOM 461 CZ2 TRP A 29 10.702 -11.966 13.019 1.00 0.00 C ATOM 462 CZ3 TRP A 29 8.482 -12.252 12.090 1.00 0.00 C ATOM 463 CH2 TRP A 29 9.319 -12.051 13.197 1.00 0.00 C ATOM 0 H TRP A 29 9.536 -13.766 6.247 1.00 0.00 H new ATOM 0 HA TRP A 29 12.286 -13.977 7.228 1.00 0.00 H new ATOM 0 HB2 TRP A 29 11.347 -11.828 7.362 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.785 -12.421 7.892 1.00 0.00 H new ATOM 0 HD1 TRP A 29 13.420 -12.216 9.233 1.00 0.00 H new ATOM 0 HE1 TRP A 29 13.360 -11.911 11.798 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.373 -12.523 9.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 11.351 -11.812 13.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.413 -12.318 12.230 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.895 -11.962 14.186 1.00 0.00 H new ATOM 474 N CYS A 30 11.999 -15.815 8.950 1.00 0.00 N ATOM 475 CA CYS A 30 11.827 -16.868 10.001 1.00 0.00 C ATOM 476 C CYS A 30 12.975 -16.760 11.026 1.00 0.00 C ATOM 477 O CYS A 30 14.106 -17.064 10.703 1.00 0.00 O ATOM 478 CB CYS A 30 11.903 -18.234 9.309 1.00 0.00 C ATOM 479 SG CYS A 30 11.537 -19.549 10.494 1.00 0.00 S ATOM 0 H CYS A 30 12.928 -15.777 8.531 1.00 0.00 H new ATOM 0 HA CYS A 30 10.873 -16.744 10.514 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.195 -18.271 8.481 1.00 0.00 H new ATOM 0 HB3 CYS A 30 12.896 -18.381 8.885 1.00 0.00 H new ATOM 484 N PRO A 31 12.714 -16.335 12.248 1.00 0.00 N ATOM 485 CA PRO A 31 13.786 -16.209 13.278 1.00 0.00 C ATOM 486 C PRO A 31 14.174 -17.576 13.863 1.00 0.00 C ATOM 487 O PRO A 31 13.956 -17.853 15.025 1.00 0.00 O ATOM 488 CB PRO A 31 13.166 -15.300 14.351 1.00 0.00 C ATOM 489 CG PRO A 31 11.682 -15.494 14.230 1.00 0.00 C ATOM 490 CD PRO A 31 11.396 -15.931 12.783 1.00 0.00 C ATOM 0 HA PRO A 31 14.709 -15.803 12.865 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.518 -15.571 15.346 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.440 -14.258 14.189 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.334 -16.249 14.935 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.153 -14.570 14.464 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.685 -16.757 12.751 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.965 -15.117 12.201 1.00 0.00 H new ATOM 498 N PHE A 32 14.745 -18.431 13.053 1.00 0.00 N ATOM 499 CA PHE A 32 15.152 -19.789 13.536 1.00 0.00 C ATOM 500 C PHE A 32 16.537 -20.125 12.975 1.00 0.00 C ATOM 501 O PHE A 32 17.352 -20.737 13.636 1.00 0.00 O ATOM 502 CB PHE A 32 14.138 -20.830 13.045 1.00 0.00 C ATOM 503 CG PHE A 32 12.888 -20.783 13.900 1.00 0.00 C ATOM 504 CD1 PHE A 32 11.971 -19.735 13.749 1.00 0.00 C ATOM 505 CD2 PHE A 32 12.643 -21.794 14.838 1.00 0.00 C ATOM 506 CE1 PHE A 32 10.812 -19.698 14.535 1.00 0.00 C ATOM 507 CE2 PHE A 32 11.484 -21.757 15.623 1.00 0.00 C ATOM 508 CZ PHE A 32 10.569 -20.709 15.471 1.00 0.00 C ATOM 0 H PHE A 32 14.949 -18.247 12.071 1.00 0.00 H new ATOM 0 HA PHE A 32 15.183 -19.798 14.626 1.00 0.00 H new ATOM 0 HB2 PHE A 32 13.883 -20.637 12.003 1.00 0.00 H new ATOM 0 HB3 PHE A 32 14.579 -21.826 13.086 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.158 -18.955 13.026 1.00 0.00 H new ATOM 0 HD2 PHE A 32 13.349 -22.603 14.956 1.00 0.00 H new ATOM 0 HE1 PHE A 32 10.106 -18.889 14.418 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.296 -22.537 16.346 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.675 -20.681 16.076 1.00 0.00 H new ATOM 518 N TRP A 33 16.808 -19.730 11.761 1.00 0.00 N ATOM 519 CA TRP A 33 18.141 -20.028 11.159 1.00 0.00 C ATOM 520 C TRP A 33 19.246 -19.637 12.143 1.00 0.00 C ATOM 521 O TRP A 33 19.994 -20.513 12.543 1.00 0.00 O ATOM 522 CB TRP A 33 18.306 -19.228 9.864 1.00 0.00 C ATOM 523 CG TRP A 33 17.419 -19.799 8.803 1.00 0.00 C ATOM 524 CD1 TRP A 33 17.447 -21.081 8.374 1.00 0.00 C ATOM 525 CD2 TRP A 33 16.379 -19.131 8.031 1.00 0.00 C ATOM 526 NE1 TRP A 33 16.488 -21.246 7.391 1.00 0.00 N ATOM 527 CE2 TRP A 33 15.804 -20.072 7.143 1.00 0.00 C ATOM 528 CE3 TRP A 33 15.883 -17.815 8.015 1.00 0.00 C ATOM 529 CZ2 TRP A 33 14.772 -19.720 6.272 1.00 0.00 C ATOM 530 CZ3 TRP A 33 14.845 -17.458 7.138 1.00 0.00 C ATOM 531 CH2 TRP A 33 14.291 -18.408 6.269 1.00 0.00 C ATOM 532 OXT TRP A 33 19.324 -18.467 12.480 1.00 0.00 O ATOM 0 H TRP A 33 16.166 -19.214 11.160 1.00 0.00 H new ATOM 0 HA TRP A 33 18.210 -21.094 10.940 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.055 -18.181 10.037 1.00 0.00 H new ATOM 0 HB3 TRP A 33 19.345 -19.257 9.537 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.110 -21.851 8.739 1.00 0.00 H new ATOM 0 HE1 TRP A 33 16.308 -22.126 6.909 1.00 0.00 H new ATOM 0 HE3 TRP A 33 16.302 -17.075 8.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 14.348 -20.456 5.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 14.471 -16.445 7.133 1.00 0.00 H new ATOM 0 HH2 TRP A 33 13.493 -18.126 5.598 1.00 0.00 H new TER 543 TRP A 33