USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=7 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 :FLIP amide:sc= 0.124 F(o=-2.6!,f=0.12) USER MOD Single : A 1 ASN N :NH3+ -178:sc= 0.0589 (180deg=0.0331) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= -0.281 (180deg=-1.58!) USER MOD Single : A 14 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.13) USER MOD Single : A 15 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.69) USER MOD Single : A 17 THR OG1 : rot 80:sc= 1.12 USER MOD Single : A 18 SER OG : rot -89:sc= -2.11! USER MOD Single : A 24 GLN : amide:sc= -2.1! C(o=-2.1!,f=-3.7!) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.137 F(o=-0.8,f=-0.14) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 41.535 -39.952 15.520 1.00 0.00 N ATOM 2 CA ASN A 1 42.097 -41.297 15.215 1.00 0.00 C ATOM 3 C ASN A 1 41.058 -42.371 15.549 1.00 0.00 C ATOM 4 O ASN A 1 41.340 -43.552 15.520 1.00 0.00 O ATOM 5 CB ASN A 1 43.355 -41.528 16.055 1.00 0.00 C ATOM 6 CG ASN A 1 44.357 -40.401 15.794 1.00 0.00 C ATOM 7 OD1 ASN A 1 44.205 -39.638 14.745 1.00 0.00 O flip ATOM 8 ND2 ASN A 1 45.289 -40.213 16.550 1.00 0.00 N flip ATOM 0 H1 ASN A 1 42.227 -39.220 15.262 1.00 0.00 H new ATOM 0 H2 ASN A 1 40.661 -39.809 14.975 1.00 0.00 H new ATOM 0 H3 ASN A 1 41.324 -39.886 16.536 1.00 0.00 H new ATOM 0 HA ASN A 1 42.352 -41.352 14.157 1.00 0.00 H new ATOM 0 HB2 ASN A 1 43.097 -41.562 17.114 1.00 0.00 H new ATOM 0 HB3 ASN A 1 43.801 -42.491 15.805 1.00 0.00 H new ATOM 0 HD21 ASN A 1 45.409 -40.808 17.370 1.00 0.00 H new ATOM 0 HD22 ASN A 1 45.952 -39.460 16.365 1.00 0.00 H new ATOM 17 N GLU A 2 39.857 -41.970 15.867 1.00 0.00 N ATOM 18 CA GLU A 2 38.803 -42.969 16.202 1.00 0.00 C ATOM 19 C GLU A 2 37.424 -42.320 16.077 1.00 0.00 C ATOM 20 O GLU A 2 36.414 -42.993 16.029 1.00 0.00 O ATOM 21 CB GLU A 2 39.003 -43.462 17.637 1.00 0.00 C ATOM 22 CG GLU A 2 38.158 -44.716 17.866 1.00 0.00 C ATOM 23 CD GLU A 2 38.380 -45.227 19.291 1.00 0.00 C ATOM 24 OE1 GLU A 2 39.430 -45.796 19.538 1.00 0.00 O ATOM 25 OE2 GLU A 2 37.496 -45.042 20.110 1.00 0.00 O ATOM 0 H GLU A 2 39.561 -40.995 15.909 1.00 0.00 H new ATOM 0 HA GLU A 2 38.873 -43.811 15.514 1.00 0.00 H new ATOM 0 HB2 GLU A 2 40.056 -43.682 17.814 1.00 0.00 H new ATOM 0 HB3 GLU A 2 38.717 -42.683 18.344 1.00 0.00 H new ATOM 0 HG2 GLU A 2 37.103 -44.490 17.709 1.00 0.00 H new ATOM 0 HG3 GLU A 2 38.430 -45.487 17.145 1.00 0.00 H new ATOM 32 N LEU A 3 37.371 -41.016 16.024 1.00 0.00 N ATOM 33 CA LEU A 3 36.054 -40.328 15.904 1.00 0.00 C ATOM 34 C LEU A 3 35.642 -40.294 14.431 1.00 0.00 C ATOM 35 O LEU A 3 36.238 -39.611 13.623 1.00 0.00 O ATOM 36 CB LEU A 3 36.160 -38.890 16.431 1.00 0.00 C ATOM 37 CG LEU A 3 36.482 -38.867 17.940 1.00 0.00 C ATOM 38 CD1 LEU A 3 35.423 -39.655 18.731 1.00 0.00 C ATOM 39 CD2 LEU A 3 37.880 -39.459 18.201 1.00 0.00 C ATOM 0 H LEU A 3 38.182 -40.398 16.059 1.00 0.00 H new ATOM 0 HA LEU A 3 35.311 -40.869 16.490 1.00 0.00 H new ATOM 0 HB2 LEU A 3 36.937 -38.356 15.883 1.00 0.00 H new ATOM 0 HB3 LEU A 3 35.223 -38.364 16.249 1.00 0.00 H new ATOM 0 HG LEU A 3 36.470 -37.830 18.275 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.667 -39.627 19.793 1.00 0.00 H new ATOM 0 HD12 LEU A 3 34.442 -39.207 18.572 1.00 0.00 H new ATOM 0 HD13 LEU A 3 35.409 -40.690 18.389 1.00 0.00 H new ATOM 0 HD21 LEU A 3 38.091 -39.435 19.270 1.00 0.00 H new ATOM 0 HD22 LEU A 3 37.910 -40.490 17.848 1.00 0.00 H new ATOM 0 HD23 LEU A 3 38.629 -38.871 17.670 1.00 0.00 H new ATOM 51 N ASP A 4 34.621 -41.029 14.078 1.00 0.00 N ATOM 52 CA ASP A 4 34.157 -41.048 12.658 1.00 0.00 C ATOM 53 C ASP A 4 32.641 -41.242 12.632 1.00 0.00 C ATOM 54 O ASP A 4 32.131 -42.140 11.991 1.00 0.00 O ATOM 55 CB ASP A 4 34.833 -42.204 11.917 1.00 0.00 C ATOM 56 CG ASP A 4 36.341 -41.954 11.847 1.00 0.00 C ATOM 57 OD1 ASP A 4 36.724 -40.876 11.425 1.00 0.00 O ATOM 58 OD2 ASP A 4 37.086 -42.846 12.217 1.00 0.00 O ATOM 0 H ASP A 4 34.086 -41.620 14.714 1.00 0.00 H new ATOM 0 HA ASP A 4 34.416 -40.107 12.172 1.00 0.00 H new ATOM 0 HB2 ASP A 4 34.633 -43.145 12.430 1.00 0.00 H new ATOM 0 HB3 ASP A 4 34.422 -42.295 10.912 1.00 0.00 H new ATOM 63 N VAL A 5 31.917 -40.402 13.333 1.00 0.00 N ATOM 64 CA VAL A 5 30.429 -40.510 13.380 1.00 0.00 C ATOM 65 C VAL A 5 29.823 -39.176 12.910 1.00 0.00 C ATOM 66 O VAL A 5 30.445 -38.139 13.025 1.00 0.00 O ATOM 67 CB VAL A 5 30.008 -40.786 14.830 1.00 0.00 C ATOM 68 CG1 VAL A 5 30.096 -42.287 15.124 1.00 0.00 C ATOM 69 CG2 VAL A 5 30.943 -40.032 15.783 1.00 0.00 C ATOM 0 H VAL A 5 32.304 -39.635 13.883 1.00 0.00 H new ATOM 0 HA VAL A 5 30.080 -41.316 12.735 1.00 0.00 H new ATOM 0 HB VAL A 5 28.981 -40.450 14.973 1.00 0.00 H new ATOM 0 HG11 VAL A 5 29.796 -42.474 16.155 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.434 -42.829 14.449 1.00 0.00 H new ATOM 0 HG13 VAL A 5 31.121 -42.627 14.977 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.646 -40.226 16.814 1.00 0.00 H new ATOM 0 HG22 VAL A 5 31.968 -40.370 15.631 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.881 -38.962 15.583 1.00 0.00 H new ATOM 79 N PRO A 6 28.617 -39.195 12.392 1.00 0.00 N ATOM 80 CA PRO A 6 27.937 -37.954 11.912 1.00 0.00 C ATOM 81 C PRO A 6 27.537 -37.044 13.082 1.00 0.00 C ATOM 82 O PRO A 6 26.461 -36.480 13.108 1.00 0.00 O ATOM 83 CB PRO A 6 26.697 -38.482 11.168 1.00 0.00 C ATOM 84 CG PRO A 6 26.416 -39.815 11.786 1.00 0.00 C ATOM 85 CD PRO A 6 27.772 -40.389 12.201 1.00 0.00 C ATOM 0 HA PRO A 6 28.581 -37.342 11.280 1.00 0.00 H new ATOM 0 HB2 PRO A 6 25.849 -37.806 11.284 1.00 0.00 H new ATOM 0 HB3 PRO A 6 26.887 -38.574 10.099 1.00 0.00 H new ATOM 0 HG2 PRO A 6 25.757 -39.713 12.648 1.00 0.00 H new ATOM 0 HG3 PRO A 6 25.915 -40.474 11.077 1.00 0.00 H new ATOM 0 HD2 PRO A 6 27.695 -40.975 13.117 1.00 0.00 H new ATOM 0 HD3 PRO A 6 28.179 -41.048 11.434 1.00 0.00 H new ATOM 93 N GLU A 7 28.398 -36.901 14.051 1.00 0.00 N ATOM 94 CA GLU A 7 28.071 -36.034 15.218 1.00 0.00 C ATOM 95 C GLU A 7 27.731 -34.624 14.715 1.00 0.00 C ATOM 96 O GLU A 7 27.020 -33.882 15.359 1.00 0.00 O ATOM 97 CB GLU A 7 29.293 -35.994 16.173 1.00 0.00 C ATOM 98 CG GLU A 7 28.931 -36.594 17.539 1.00 0.00 C ATOM 99 CD GLU A 7 30.155 -36.557 18.455 1.00 0.00 C ATOM 100 OE1 GLU A 7 31.257 -36.666 17.943 1.00 0.00 O ATOM 101 OE2 GLU A 7 29.970 -36.420 19.654 1.00 0.00 O ATOM 0 H GLU A 7 29.315 -37.347 14.085 1.00 0.00 H new ATOM 0 HA GLU A 7 27.212 -36.430 15.759 1.00 0.00 H new ATOM 0 HB2 GLU A 7 30.122 -36.549 15.734 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.629 -34.965 16.299 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.111 -36.034 17.988 1.00 0.00 H new ATOM 0 HG3 GLU A 7 28.586 -37.621 17.417 1.00 0.00 H new ATOM 108 N GLN A 8 28.241 -34.253 13.573 1.00 0.00 N ATOM 109 CA GLN A 8 27.960 -32.900 13.020 1.00 0.00 C ATOM 110 C GLN A 8 26.800 -32.961 12.016 1.00 0.00 C ATOM 111 O GLN A 8 25.824 -32.247 12.133 1.00 0.00 O ATOM 112 CB GLN A 8 29.219 -32.386 12.322 1.00 0.00 C ATOM 113 CG GLN A 8 30.457 -32.834 13.104 1.00 0.00 C ATOM 114 CD GLN A 8 31.696 -32.138 12.542 1.00 0.00 C ATOM 115 OE1 GLN A 8 32.297 -32.611 11.597 1.00 0.00 O ATOM 116 NE2 GLN A 8 32.105 -31.026 13.085 1.00 0.00 N ATOM 0 H GLN A 8 28.846 -34.836 12.995 1.00 0.00 H new ATOM 0 HA GLN A 8 27.678 -32.228 13.831 1.00 0.00 H new ATOM 0 HB2 GLN A 8 29.263 -32.767 11.302 1.00 0.00 H new ATOM 0 HB3 GLN A 8 29.192 -31.298 12.255 1.00 0.00 H new ATOM 0 HG2 GLN A 8 30.339 -32.593 14.160 1.00 0.00 H new ATOM 0 HG3 GLN A 8 30.572 -33.916 13.035 1.00 0.00 H new ATOM 0 HE21 GLN A 8 31.600 -30.630 13.878 1.00 0.00 H new ATOM 0 HE22 GLN A 8 32.930 -30.552 12.717 1.00 0.00 H new ATOM 125 N VAL A 9 26.921 -33.785 11.014 1.00 0.00 N ATOM 126 CA VAL A 9 25.856 -33.876 9.976 1.00 0.00 C ATOM 127 C VAL A 9 24.478 -34.003 10.622 1.00 0.00 C ATOM 128 O VAL A 9 23.482 -33.627 10.037 1.00 0.00 O ATOM 129 CB VAL A 9 26.116 -35.091 9.082 1.00 0.00 C ATOM 130 CG1 VAL A 9 25.039 -35.166 7.998 1.00 0.00 C ATOM 131 CG2 VAL A 9 27.490 -34.951 8.422 1.00 0.00 C ATOM 0 H VAL A 9 27.718 -34.404 10.868 1.00 0.00 H new ATOM 0 HA VAL A 9 25.876 -32.965 9.378 1.00 0.00 H new ATOM 0 HB VAL A 9 26.090 -35.999 9.685 1.00 0.00 H new ATOM 0 HG11 VAL A 9 25.224 -36.031 7.361 1.00 0.00 H new ATOM 0 HG12 VAL A 9 24.059 -35.262 8.465 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.066 -34.259 7.395 1.00 0.00 H new ATOM 0 HG21 VAL A 9 27.677 -35.815 7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 9 27.513 -34.044 7.819 1.00 0.00 H new ATOM 0 HG23 VAL A 9 28.259 -34.894 9.192 1.00 0.00 H new ATOM 141 N ASP A 10 24.393 -34.513 11.820 1.00 0.00 N ATOM 142 CA ASP A 10 23.045 -34.624 12.449 1.00 0.00 C ATOM 143 C ASP A 10 22.521 -33.212 12.710 1.00 0.00 C ATOM 144 O ASP A 10 21.514 -32.815 12.163 1.00 0.00 O ATOM 145 CB ASP A 10 23.107 -35.425 13.757 1.00 0.00 C ATOM 146 CG ASP A 10 24.126 -34.812 14.714 1.00 0.00 C ATOM 147 OD1 ASP A 10 23.771 -33.875 15.409 1.00 0.00 O ATOM 148 OD2 ASP A 10 25.237 -35.303 14.749 1.00 0.00 O ATOM 0 H ASP A 10 25.176 -34.850 12.380 1.00 0.00 H new ATOM 0 HA ASP A 10 22.373 -35.157 11.777 1.00 0.00 H new ATOM 0 HB2 ASP A 10 22.123 -35.442 14.226 1.00 0.00 H new ATOM 0 HB3 ASP A 10 23.376 -36.459 13.544 1.00 0.00 H new ATOM 153 N LYS A 11 23.195 -32.461 13.552 1.00 0.00 N ATOM 154 CA LYS A 11 22.744 -31.063 13.863 1.00 0.00 C ATOM 155 C LYS A 11 22.181 -30.405 12.594 1.00 0.00 C ATOM 156 O LYS A 11 21.183 -29.713 12.635 1.00 0.00 O ATOM 157 CB LYS A 11 23.925 -30.227 14.392 1.00 0.00 C ATOM 158 CG LYS A 11 24.276 -30.626 15.852 1.00 0.00 C ATOM 159 CD LYS A 11 25.434 -31.651 15.874 1.00 0.00 C ATOM 160 CE LYS A 11 26.785 -30.928 15.958 1.00 0.00 C ATOM 161 NZ LYS A 11 26.805 -30.035 17.152 1.00 0.00 N ATOM 0 H LYS A 11 24.041 -32.757 14.039 1.00 0.00 H new ATOM 0 HA LYS A 11 21.968 -31.107 14.627 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.795 -30.373 13.752 1.00 0.00 H new ATOM 0 HB3 LYS A 11 23.673 -29.167 14.351 1.00 0.00 H new ATOM 0 HG2 LYS A 11 24.558 -29.739 16.419 1.00 0.00 H new ATOM 0 HG3 LYS A 11 23.398 -31.050 16.340 1.00 0.00 H new ATOM 0 HD2 LYS A 11 25.319 -32.321 16.726 1.00 0.00 H new ATOM 0 HD3 LYS A 11 25.399 -32.268 14.976 1.00 0.00 H new ATOM 0 HE2 LYS A 11 27.594 -31.656 16.023 1.00 0.00 H new ATOM 0 HE3 LYS A 11 26.953 -30.344 15.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 27.773 -29.978 17.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 26.483 -29.084 16.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 26.173 -30.419 17.883 1.00 0.00 H new ATOM 175 N LEU A 12 22.796 -30.638 11.465 1.00 0.00 N ATOM 176 CA LEU A 12 22.277 -30.052 10.201 1.00 0.00 C ATOM 177 C LEU A 12 20.917 -30.685 9.897 1.00 0.00 C ATOM 178 O LEU A 12 19.963 -30.003 9.579 1.00 0.00 O ATOM 179 CB LEU A 12 23.271 -30.329 9.058 1.00 0.00 C ATOM 180 CG LEU A 12 24.308 -29.189 8.953 1.00 0.00 C ATOM 181 CD1 LEU A 12 23.668 -27.921 8.349 1.00 0.00 C ATOM 182 CD2 LEU A 12 24.877 -28.870 10.348 1.00 0.00 C ATOM 0 H LEU A 12 23.635 -31.209 11.366 1.00 0.00 H new ATOM 0 HA LEU A 12 22.161 -28.973 10.300 1.00 0.00 H new ATOM 0 HB2 LEU A 12 23.780 -31.277 9.233 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.732 -30.426 8.115 1.00 0.00 H new ATOM 0 HG LEU A 12 25.115 -29.516 8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.416 -27.131 8.284 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.289 -28.144 7.352 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.846 -27.591 8.984 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.608 -28.065 10.268 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.068 -28.560 11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.359 -29.758 10.756 1.00 0.00 H new ATOM 194 N ILE A 13 20.810 -31.981 10.015 1.00 0.00 N ATOM 195 CA ILE A 13 19.501 -32.635 9.754 1.00 0.00 C ATOM 196 C ILE A 13 18.475 -32.034 10.714 1.00 0.00 C ATOM 197 O ILE A 13 17.441 -31.549 10.307 1.00 0.00 O ATOM 198 CB ILE A 13 19.616 -34.144 9.991 1.00 0.00 C ATOM 199 CG1 ILE A 13 20.506 -34.755 8.902 1.00 0.00 C ATOM 200 CG2 ILE A 13 18.223 -34.780 9.933 1.00 0.00 C ATOM 201 CD1 ILE A 13 20.792 -36.225 9.225 1.00 0.00 C ATOM 0 H ILE A 13 21.569 -32.610 10.279 1.00 0.00 H new ATOM 0 HA ILE A 13 19.194 -32.471 8.721 1.00 0.00 H new ATOM 0 HB ILE A 13 20.054 -34.330 10.971 1.00 0.00 H new ATOM 0 HG12 ILE A 13 20.015 -34.676 7.932 1.00 0.00 H new ATOM 0 HG13 ILE A 13 21.442 -34.201 8.832 1.00 0.00 H new ATOM 0 HG21 ILE A 13 18.306 -35.854 10.102 1.00 0.00 H new ATOM 0 HG22 ILE A 13 17.590 -34.340 10.703 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.781 -34.600 8.953 1.00 0.00 H new ATOM 0 HD11 ILE A 13 21.425 -36.652 8.447 1.00 0.00 H new ATOM 0 HD12 ILE A 13 21.302 -36.294 10.186 1.00 0.00 H new ATOM 0 HD13 ILE A 13 19.853 -36.776 9.272 1.00 0.00 H new ATOM 213 N GLN A 14 18.764 -32.046 11.988 1.00 0.00 N ATOM 214 CA GLN A 14 17.818 -31.460 12.972 1.00 0.00 C ATOM 215 C GLN A 14 17.555 -30.002 12.583 1.00 0.00 C ATOM 216 O GLN A 14 16.427 -29.587 12.409 1.00 0.00 O ATOM 217 CB GLN A 14 18.445 -31.520 14.370 1.00 0.00 C ATOM 218 CG GLN A 14 18.276 -32.925 14.952 1.00 0.00 C ATOM 219 CD GLN A 14 16.824 -33.124 15.391 1.00 0.00 C ATOM 220 OE1 GLN A 14 16.337 -32.424 16.257 1.00 0.00 O ATOM 221 NE2 GLN A 14 16.106 -34.056 14.825 1.00 0.00 N ATOM 0 H GLN A 14 19.617 -32.438 12.387 1.00 0.00 H new ATOM 0 HA GLN A 14 16.880 -32.016 12.977 1.00 0.00 H new ATOM 0 HB2 GLN A 14 19.503 -31.263 14.316 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.972 -30.786 15.023 1.00 0.00 H new ATOM 0 HG2 GLN A 14 18.548 -33.674 14.208 1.00 0.00 H new ATOM 0 HG3 GLN A 14 18.946 -33.062 15.801 1.00 0.00 H new ATOM 0 HE21 GLN A 14 16.514 -34.644 14.098 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.137 -34.196 15.110 1.00 0.00 H new ATOM 230 N GLN A 15 18.597 -29.230 12.439 1.00 0.00 N ATOM 231 CA GLN A 15 18.424 -27.801 12.053 1.00 0.00 C ATOM 232 C GLN A 15 17.602 -27.725 10.763 1.00 0.00 C ATOM 233 O GLN A 15 16.546 -27.129 10.723 1.00 0.00 O ATOM 234 CB GLN A 15 19.800 -27.166 11.830 1.00 0.00 C ATOM 235 CG GLN A 15 20.467 -26.893 13.182 1.00 0.00 C ATOM 236 CD GLN A 15 19.728 -25.762 13.902 1.00 0.00 C ATOM 237 OE1 GLN A 15 18.844 -26.009 14.699 1.00 0.00 O ATOM 238 NE2 GLN A 15 20.054 -24.523 13.654 1.00 0.00 N ATOM 0 H GLN A 15 19.563 -29.528 12.572 1.00 0.00 H new ATOM 0 HA GLN A 15 17.904 -27.263 12.846 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.425 -27.830 11.232 1.00 0.00 H new ATOM 0 HB3 GLN A 15 19.696 -26.236 11.270 1.00 0.00 H new ATOM 0 HG2 GLN A 15 20.455 -27.795 13.793 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.512 -26.622 13.035 1.00 0.00 H new ATOM 0 HE21 GLN A 15 20.796 -24.315 12.985 1.00 0.00 H new ATOM 0 HE22 GLN A 15 19.567 -23.763 14.129 1.00 0.00 H new ATOM 247 N ALA A 16 18.066 -28.331 9.706 1.00 0.00 N ATOM 248 CA ALA A 16 17.288 -28.289 8.437 1.00 0.00 C ATOM 249 C ALA A 16 15.905 -28.894 8.685 1.00 0.00 C ATOM 250 O ALA A 16 14.891 -28.307 8.362 1.00 0.00 O ATOM 251 CB ALA A 16 18.016 -29.094 7.361 1.00 0.00 C ATOM 0 H ALA A 16 18.943 -28.850 9.665 1.00 0.00 H new ATOM 0 HA ALA A 16 17.185 -27.257 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.445 -29.062 6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 16 19.005 -28.667 7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.119 -30.129 7.688 1.00 0.00 H new ATOM 257 N THR A 17 15.857 -30.057 9.273 1.00 0.00 N ATOM 258 CA THR A 17 14.538 -30.691 9.558 1.00 0.00 C ATOM 259 C THR A 17 13.676 -29.691 10.324 1.00 0.00 C ATOM 260 O THR A 17 12.600 -29.326 9.898 1.00 0.00 O ATOM 261 CB THR A 17 14.737 -31.947 10.411 1.00 0.00 C ATOM 262 OG1 THR A 17 15.423 -32.931 9.652 1.00 0.00 O ATOM 263 CG2 THR A 17 13.376 -32.490 10.851 1.00 0.00 C ATOM 0 H THR A 17 16.672 -30.595 9.568 1.00 0.00 H new ATOM 0 HA THR A 17 14.053 -30.971 8.623 1.00 0.00 H new ATOM 0 HB THR A 17 15.326 -31.697 11.294 1.00 0.00 H new ATOM 0 HG1 THR A 17 16.383 -32.733 9.651 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.520 -33.384 11.458 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.855 -31.733 11.437 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.783 -32.740 9.972 1.00 0.00 H new ATOM 271 N SER A 18 14.141 -29.249 11.461 1.00 0.00 N ATOM 272 CA SER A 18 13.354 -28.274 12.265 1.00 0.00 C ATOM 273 C SER A 18 12.817 -27.169 11.345 1.00 0.00 C ATOM 274 O SER A 18 11.663 -27.176 10.970 1.00 0.00 O ATOM 275 CB SER A 18 14.251 -27.670 13.350 1.00 0.00 C ATOM 276 OG SER A 18 15.544 -27.430 12.816 1.00 0.00 O ATOM 0 H SER A 18 15.035 -29.523 11.868 1.00 0.00 H new ATOM 0 HA SER A 18 12.513 -28.779 12.739 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.819 -26.739 13.717 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.317 -28.348 14.201 1.00 0.00 H new ATOM 0 HG SER A 18 16.099 -28.230 12.930 1.00 0.00 H new ATOM 282 N ILE A 19 13.642 -26.220 10.980 1.00 0.00 N ATOM 283 CA ILE A 19 13.206 -25.101 10.093 1.00 0.00 C ATOM 284 C ILE A 19 12.203 -25.574 9.020 1.00 0.00 C ATOM 285 O ILE A 19 11.174 -24.960 8.825 1.00 0.00 O ATOM 286 CB ILE A 19 14.490 -24.515 9.442 1.00 0.00 C ATOM 287 CG1 ILE A 19 15.118 -23.464 10.371 1.00 0.00 C ATOM 288 CG2 ILE A 19 14.193 -23.848 8.093 1.00 0.00 C ATOM 289 CD1 ILE A 19 15.612 -24.122 11.661 1.00 0.00 C ATOM 0 H ILE A 19 14.620 -26.174 11.266 1.00 0.00 H new ATOM 0 HA ILE A 19 12.683 -24.342 10.674 1.00 0.00 H new ATOM 0 HB ILE A 19 15.175 -25.347 9.281 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.948 -22.971 9.865 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.385 -22.692 10.606 1.00 0.00 H new ATOM 0 HG21 ILE A 19 15.117 -23.452 7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.769 -24.583 7.409 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.482 -23.035 8.238 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.054 -23.365 12.309 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.773 -24.593 12.173 1.00 0.00 H new ATOM 0 HD13 ILE A 19 16.361 -24.877 11.421 1.00 0.00 H new ATOM 301 N GLU A 20 12.493 -26.628 8.309 1.00 0.00 N ATOM 302 CA GLU A 20 11.547 -27.082 7.242 1.00 0.00 C ATOM 303 C GLU A 20 10.103 -27.094 7.767 1.00 0.00 C ATOM 304 O GLU A 20 9.230 -26.470 7.202 1.00 0.00 O ATOM 305 CB GLU A 20 11.931 -28.492 6.766 1.00 0.00 C ATOM 306 CG GLU A 20 13.106 -28.407 5.787 1.00 0.00 C ATOM 307 CD GLU A 20 13.539 -29.818 5.387 1.00 0.00 C ATOM 308 OE1 GLU A 20 13.667 -30.650 6.270 1.00 0.00 O ATOM 309 OE2 GLU A 20 13.734 -30.044 4.204 1.00 0.00 O ATOM 0 H GLU A 20 13.336 -27.193 8.416 1.00 0.00 H new ATOM 0 HA GLU A 20 11.612 -26.385 6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.201 -29.113 7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.077 -28.968 6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.816 -27.840 4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.939 -27.876 6.247 1.00 0.00 H new ATOM 316 N ARG A 21 9.839 -27.811 8.824 1.00 0.00 N ATOM 317 CA ARG A 21 8.447 -27.873 9.354 1.00 0.00 C ATOM 318 C ARG A 21 8.163 -26.676 10.267 1.00 0.00 C ATOM 319 O ARG A 21 7.023 -26.331 10.508 1.00 0.00 O ATOM 320 CB ARG A 21 8.255 -29.169 10.150 1.00 0.00 C ATOM 321 CG ARG A 21 8.866 -30.358 9.396 1.00 0.00 C ATOM 322 CD ARG A 21 8.131 -30.575 8.070 1.00 0.00 C ATOM 323 NE ARG A 21 6.659 -30.619 8.311 1.00 0.00 N ATOM 324 CZ ARG A 21 5.847 -30.931 7.338 1.00 0.00 C ATOM 325 NH1 ARG A 21 6.152 -30.622 6.108 1.00 0.00 N ATOM 326 NH2 ARG A 21 4.729 -31.551 7.596 1.00 0.00 N ATOM 0 H ARG A 21 10.526 -28.357 9.344 1.00 0.00 H new ATOM 0 HA ARG A 21 7.756 -27.848 8.511 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.722 -29.073 11.130 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.193 -29.345 10.319 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.924 -30.175 9.208 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.802 -31.258 10.008 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.371 -29.771 7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.461 -31.505 7.608 1.00 0.00 H new ATOM 0 HE ARG A 21 6.287 -30.405 9.236 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.026 -30.136 5.906 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.517 -30.866 5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.490 -31.792 8.558 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.094 -31.795 6.836 1.00 0.00 H new ATOM 340 N LEU A 22 9.180 -26.050 10.792 1.00 0.00 N ATOM 341 CA LEU A 22 8.955 -24.888 11.703 1.00 0.00 C ATOM 342 C LEU A 22 8.799 -23.588 10.895 1.00 0.00 C ATOM 343 O LEU A 22 8.077 -22.700 11.287 1.00 0.00 O ATOM 344 CB LEU A 22 10.154 -24.773 12.669 1.00 0.00 C ATOM 345 CG LEU A 22 9.916 -25.634 13.926 1.00 0.00 C ATOM 346 CD1 LEU A 22 9.698 -27.095 13.525 1.00 0.00 C ATOM 347 CD2 LEU A 22 11.135 -25.538 14.866 1.00 0.00 C ATOM 0 H LEU A 22 10.158 -26.291 10.631 1.00 0.00 H new ATOM 0 HA LEU A 22 8.037 -25.045 12.269 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.066 -25.096 12.167 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.299 -23.732 12.956 1.00 0.00 H new ATOM 0 HG LEU A 22 9.030 -25.265 14.443 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.531 -27.696 14.419 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.829 -27.167 12.871 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.579 -27.463 12.999 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.960 -26.148 15.752 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.024 -25.897 14.347 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.284 -24.500 15.164 1.00 0.00 H new ATOM 359 N CYS A 23 9.487 -23.456 9.788 1.00 0.00 N ATOM 360 CA CYS A 23 9.393 -22.193 8.987 1.00 0.00 C ATOM 361 C CYS A 23 8.362 -22.308 7.856 1.00 0.00 C ATOM 362 O CYS A 23 7.913 -21.311 7.328 1.00 0.00 O ATOM 363 CB CYS A 23 10.758 -21.893 8.378 1.00 0.00 C ATOM 364 SG CYS A 23 11.874 -21.287 9.667 1.00 0.00 S ATOM 0 H CYS A 23 10.110 -24.167 9.403 1.00 0.00 H new ATOM 0 HA CYS A 23 9.075 -21.393 9.655 1.00 0.00 H new ATOM 0 HB2 CYS A 23 11.169 -22.792 7.920 1.00 0.00 H new ATOM 0 HB3 CYS A 23 10.660 -21.149 7.588 1.00 0.00 H new ATOM 369 N GLN A 24 7.987 -23.491 7.460 1.00 0.00 N ATOM 370 CA GLN A 24 6.999 -23.606 6.352 1.00 0.00 C ATOM 371 C GLN A 24 5.639 -23.077 6.815 1.00 0.00 C ATOM 372 O GLN A 24 4.748 -22.854 6.019 1.00 0.00 O ATOM 373 CB GLN A 24 6.875 -25.082 5.935 1.00 0.00 C ATOM 374 CG GLN A 24 7.987 -25.438 4.942 1.00 0.00 C ATOM 375 CD GLN A 24 8.036 -26.956 4.753 1.00 0.00 C ATOM 376 OE1 GLN A 24 7.887 -27.703 5.698 1.00 0.00 O ATOM 377 NE2 GLN A 24 8.240 -27.445 3.560 1.00 0.00 N ATOM 0 H GLN A 24 8.317 -24.374 7.850 1.00 0.00 H new ATOM 0 HA GLN A 24 7.335 -23.016 5.499 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.941 -25.724 6.813 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.900 -25.260 5.482 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.806 -24.947 3.986 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.947 -25.075 5.309 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.365 -26.817 2.766 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.274 -28.455 3.422 1.00 0.00 H new ATOM 386 N HIS A 25 5.463 -22.888 8.097 1.00 0.00 N ATOM 387 CA HIS A 25 4.150 -22.390 8.613 1.00 0.00 C ATOM 388 C HIS A 25 4.195 -20.874 8.838 1.00 0.00 C ATOM 389 O HIS A 25 3.169 -20.230 8.923 1.00 0.00 O ATOM 390 CB HIS A 25 3.841 -23.080 9.944 1.00 0.00 C ATOM 391 CG HIS A 25 3.579 -24.542 9.704 1.00 0.00 C ATOM 392 ND1 HIS A 25 4.132 -25.445 8.828 1.00 0.00 N flip ATOM 393 CD2 HIS A 25 2.630 -25.250 10.425 1.00 0.00 C flip ATOM 394 CE1 HIS A 25 3.537 -26.691 9.001 1.00 0.00 C flip ATOM 395 NE2 HIS A 25 2.639 -26.517 9.974 1.00 0.00 N flip ATOM 0 H HIS A 25 6.172 -23.057 8.811 1.00 0.00 H new ATOM 0 HA HIS A 25 3.378 -22.615 7.878 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.678 -22.958 10.632 1.00 0.00 H new ATOM 0 HB3 HIS A 25 2.973 -22.617 10.413 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.998 -24.856 11.207 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.755 -27.602 8.464 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.033 -27.256 10.332 1.00 0.00 H new ATOM 403 N TYR A 26 5.367 -20.294 8.955 1.00 0.00 N ATOM 404 CA TYR A 26 5.456 -18.822 9.200 1.00 0.00 C ATOM 405 C TYR A 26 5.740 -18.064 7.898 1.00 0.00 C ATOM 406 O TYR A 26 5.681 -18.600 6.810 1.00 0.00 O ATOM 407 CB TYR A 26 6.597 -18.547 10.185 1.00 0.00 C ATOM 408 CG TYR A 26 6.212 -19.004 11.579 1.00 0.00 C ATOM 409 CD1 TYR A 26 5.127 -18.412 12.242 1.00 0.00 C ATOM 410 CD2 TYR A 26 6.943 -20.017 12.209 1.00 0.00 C ATOM 411 CE1 TYR A 26 4.777 -18.837 13.530 1.00 0.00 C ATOM 412 CE2 TYR A 26 6.593 -20.443 13.496 1.00 0.00 C ATOM 413 CZ TYR A 26 5.509 -19.853 14.157 1.00 0.00 C ATOM 414 OH TYR A 26 5.163 -20.272 15.425 1.00 0.00 O ATOM 0 H TYR A 26 6.263 -20.777 8.891 1.00 0.00 H new ATOM 0 HA TYR A 26 4.503 -18.482 9.605 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.499 -19.066 9.861 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.829 -17.482 10.195 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.561 -17.629 11.759 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.780 -20.472 11.701 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.942 -18.381 14.040 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.159 -21.226 13.979 1.00 0.00 H new ATOM 0 HH TYR A 26 5.772 -20.984 15.712 1.00 0.00 H new ATOM 424 N ILE A 27 6.040 -16.800 8.036 1.00 0.00 N ATOM 425 CA ILE A 27 6.333 -15.941 6.850 1.00 0.00 C ATOM 426 C ILE A 27 7.831 -16.001 6.533 1.00 0.00 C ATOM 427 O ILE A 27 8.638 -16.340 7.375 1.00 0.00 O ATOM 428 CB ILE A 27 5.925 -14.495 7.166 1.00 0.00 C ATOM 429 CG1 ILE A 27 4.395 -14.390 7.220 1.00 0.00 C ATOM 430 CG2 ILE A 27 6.452 -13.553 6.078 1.00 0.00 C ATOM 431 CD1 ILE A 27 3.840 -15.265 8.353 1.00 0.00 C ATOM 0 H ILE A 27 6.095 -16.319 8.934 1.00 0.00 H new ATOM 0 HA ILE A 27 5.772 -16.298 5.986 1.00 0.00 H new ATOM 0 HB ILE A 27 6.349 -14.212 8.129 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.100 -13.352 7.375 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.968 -14.703 6.267 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.158 -12.529 6.310 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.539 -13.618 6.036 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.034 -13.841 5.114 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.754 -15.180 8.379 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.119 -16.304 8.180 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.253 -14.932 9.305 1.00 0.00 H new ATOM 443 N GLY A 28 8.194 -15.688 5.310 1.00 0.00 N ATOM 444 CA GLY A 28 9.633 -15.727 4.887 1.00 0.00 C ATOM 445 C GLY A 28 10.551 -15.282 6.032 1.00 0.00 C ATOM 446 O GLY A 28 11.555 -15.907 6.310 1.00 0.00 O ATOM 0 H GLY A 28 7.545 -15.403 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.897 -16.737 4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.780 -15.078 4.024 1.00 0.00 H new ATOM 450 N TRP A 29 10.213 -14.216 6.705 1.00 0.00 N ATOM 451 CA TRP A 29 11.068 -13.756 7.834 1.00 0.00 C ATOM 452 C TRP A 29 10.984 -14.786 8.963 1.00 0.00 C ATOM 453 O TRP A 29 10.247 -14.619 9.914 1.00 0.00 O ATOM 454 CB TRP A 29 10.567 -12.401 8.341 1.00 0.00 C ATOM 455 CG TRP A 29 11.389 -11.978 9.514 1.00 0.00 C ATOM 456 CD1 TRP A 29 12.729 -11.798 9.496 1.00 0.00 C ATOM 457 CD2 TRP A 29 10.955 -11.683 10.874 1.00 0.00 C ATOM 458 NE1 TRP A 29 13.147 -11.412 10.755 1.00 0.00 N ATOM 459 CE2 TRP A 29 12.089 -11.326 11.641 1.00 0.00 C ATOM 460 CE3 TRP A 29 9.700 -11.691 11.507 1.00 0.00 C ATOM 461 CZ2 TRP A 29 11.981 -10.989 12.991 1.00 0.00 C ATOM 462 CZ3 TRP A 29 9.587 -11.353 12.865 1.00 0.00 C ATOM 463 CH2 TRP A 29 10.726 -11.003 13.606 1.00 0.00 C ATOM 0 H TRP A 29 9.386 -13.647 6.523 1.00 0.00 H new ATOM 0 HA TRP A 29 12.100 -13.651 7.499 1.00 0.00 H new ATOM 0 HB2 TRP A 29 10.634 -11.656 7.548 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.517 -12.472 8.625 1.00 0.00 H new ATOM 0 HD1 TRP A 29 13.369 -11.934 8.637 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.117 -11.215 11.001 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.817 -11.959 10.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 12.861 -10.719 13.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.618 -11.362 13.342 1.00 0.00 H new ATOM 0 HH2 TRP A 29 10.633 -10.745 14.651 1.00 0.00 H new ATOM 474 N CYS A 30 11.723 -15.860 8.858 1.00 0.00 N ATOM 475 CA CYS A 30 11.682 -16.919 9.913 1.00 0.00 C ATOM 476 C CYS A 30 12.880 -16.745 10.874 1.00 0.00 C ATOM 477 O CYS A 30 13.997 -17.052 10.508 1.00 0.00 O ATOM 478 CB CYS A 30 11.773 -18.291 9.224 1.00 0.00 C ATOM 479 SG CYS A 30 11.022 -19.557 10.277 1.00 0.00 S ATOM 0 H CYS A 30 12.357 -16.051 8.082 1.00 0.00 H new ATOM 0 HA CYS A 30 10.757 -16.842 10.484 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.265 -18.258 8.260 1.00 0.00 H new ATOM 0 HB3 CYS A 30 12.816 -18.541 9.027 1.00 0.00 H new ATOM 484 N PRO A 31 12.677 -16.267 12.091 1.00 0.00 N ATOM 485 CA PRO A 31 13.804 -16.088 13.053 1.00 0.00 C ATOM 486 C PRO A 31 14.253 -17.437 13.629 1.00 0.00 C ATOM 487 O PRO A 31 14.509 -17.576 14.809 1.00 0.00 O ATOM 488 CB PRO A 31 13.224 -15.175 14.144 1.00 0.00 C ATOM 489 CG PRO A 31 11.743 -15.404 14.110 1.00 0.00 C ATOM 490 CD PRO A 31 11.386 -15.850 12.682 1.00 0.00 C ATOM 0 HA PRO A 31 14.692 -15.660 12.587 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.637 -15.421 15.122 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.464 -14.130 13.950 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.454 -16.165 14.835 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.206 -14.493 14.374 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.669 -16.671 12.690 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.933 -15.037 12.114 1.00 0.00 H new ATOM 498 N PHE A 32 14.341 -18.432 12.785 1.00 0.00 N ATOM 499 CA PHE A 32 14.761 -19.794 13.235 1.00 0.00 C ATOM 500 C PHE A 32 16.171 -20.082 12.713 1.00 0.00 C ATOM 501 O PHE A 32 16.994 -20.651 13.403 1.00 0.00 O ATOM 502 CB PHE A 32 13.781 -20.833 12.677 1.00 0.00 C ATOM 503 CG PHE A 32 12.449 -20.721 13.397 1.00 0.00 C ATOM 504 CD1 PHE A 32 11.663 -19.569 13.248 1.00 0.00 C ATOM 505 CD2 PHE A 32 11.996 -21.770 14.209 1.00 0.00 C ATOM 506 CE1 PHE A 32 10.433 -19.468 13.908 1.00 0.00 C ATOM 507 CE2 PHE A 32 10.765 -21.666 14.870 1.00 0.00 C ATOM 508 CZ PHE A 32 9.985 -20.515 14.718 1.00 0.00 C ATOM 0 H PHE A 32 14.137 -18.358 11.788 1.00 0.00 H new ATOM 0 HA PHE A 32 14.760 -19.843 14.324 1.00 0.00 H new ATOM 0 HB2 PHE A 32 13.641 -20.677 11.607 1.00 0.00 H new ATOM 0 HB3 PHE A 32 14.189 -21.836 12.802 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.008 -18.758 12.623 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.597 -22.660 14.325 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.829 -18.580 13.791 1.00 0.00 H new ATOM 0 HE2 PHE A 32 10.418 -22.474 15.497 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.036 -20.435 15.227 1.00 0.00 H new ATOM 518 N TRP A 33 16.459 -19.690 11.502 1.00 0.00 N ATOM 519 CA TRP A 33 17.818 -19.940 10.942 1.00 0.00 C ATOM 520 C TRP A 33 18.873 -19.462 11.942 1.00 0.00 C ATOM 521 O TRP A 33 19.749 -20.247 12.269 1.00 0.00 O ATOM 522 CB TRP A 33 17.983 -19.172 9.626 1.00 0.00 C ATOM 523 CG TRP A 33 17.116 -19.781 8.570 1.00 0.00 C ATOM 524 CD1 TRP A 33 17.140 -21.080 8.197 1.00 0.00 C ATOM 525 CD2 TRP A 33 16.105 -19.138 7.738 1.00 0.00 C ATOM 526 NE1 TRP A 33 16.204 -21.280 7.200 1.00 0.00 N ATOM 527 CE2 TRP A 33 15.539 -20.112 6.880 1.00 0.00 C ATOM 528 CE3 TRP A 33 15.625 -17.817 7.649 1.00 0.00 C ATOM 529 CZ2 TRP A 33 14.535 -19.787 5.968 1.00 0.00 C ATOM 530 CZ3 TRP A 33 14.616 -17.488 6.729 1.00 0.00 C ATOM 531 CH2 TRP A 33 14.072 -18.472 5.892 1.00 0.00 C ATOM 532 OXT TRP A 33 18.788 -18.321 12.364 1.00 0.00 O ATOM 0 H TRP A 33 15.813 -19.208 10.877 1.00 0.00 H new ATOM 0 HA TRP A 33 17.942 -21.007 10.757 1.00 0.00 H new ATOM 0 HB2 TRP A 33 17.715 -18.125 9.770 1.00 0.00 H new ATOM 0 HB3 TRP A 33 19.026 -19.194 9.310 1.00 0.00 H new ATOM 0 HD1 TRP A 33 17.787 -21.839 8.611 1.00 0.00 H new ATOM 0 HE1 TRP A 33 16.026 -22.180 6.755 1.00 0.00 H new ATOM 0 HE3 TRP A 33 16.035 -17.052 8.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 14.118 -20.548 5.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 14.257 -16.471 6.666 1.00 0.00 H new ATOM 0 HH2 TRP A 33 13.295 -18.213 5.188 1.00 0.00 H new TER 543 TRP A 33