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 X(o=0,f=0) USER MOD Single : A 1 ASN N :NH3+ -126:sc= 0.0982 (180deg=-0.000497) USER MOD Single : A 8 GLN : amide:sc= -0.0609 K(o=-0.061,f=-2.3!) USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= -0.233 (180deg=-1.44!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.38) USER MOD Single : A 17 THR OG1 : rot 97:sc= 1.22 USER MOD Single : A 18 SER OG : rot -56:sc= -0.897! USER MOD Single : A 24 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.23) USER MOD Single : A 25 HIS : no HD1:sc= -0.259 K(o=-0.26,f=-1.2) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 40.161 -41.542 9.267 1.00 0.00 N ATOM 2 CA ASN A 1 40.236 -40.971 10.642 1.00 0.00 C ATOM 3 C ASN A 1 39.927 -42.063 11.669 1.00 0.00 C ATOM 4 O ASN A 1 39.921 -43.237 11.358 1.00 0.00 O ATOM 5 CB ASN A 1 39.216 -39.839 10.781 1.00 0.00 C ATOM 6 CG ASN A 1 39.708 -38.615 10.007 1.00 0.00 C ATOM 7 OD1 ASN A 1 40.433 -37.797 10.537 1.00 0.00 O ATOM 8 ND2 ASN A 1 39.341 -38.452 8.765 1.00 0.00 N ATOM 0 H1 ASN A 1 41.048 -41.345 8.761 1.00 0.00 H new ATOM 0 H2 ASN A 1 40.017 -42.570 9.326 1.00 0.00 H new ATOM 0 H3 ASN A 1 39.366 -41.109 8.754 1.00 0.00 H new ATOM 0 HA ASN A 1 41.239 -40.582 10.817 1.00 0.00 H new ATOM 0 HB2 ASN A 1 38.247 -40.159 10.399 1.00 0.00 H new ATOM 0 HB3 ASN A 1 39.077 -39.587 11.832 1.00 0.00 H new ATOM 0 HD21 ASN A 1 39.663 -37.639 8.241 1.00 0.00 H new ATOM 0 HD22 ASN A 1 38.732 -39.138 8.319 1.00 0.00 H new ATOM 17 N GLU A 2 39.672 -41.683 12.893 1.00 0.00 N ATOM 18 CA GLU A 2 39.366 -42.697 13.946 1.00 0.00 C ATOM 19 C GLU A 2 37.873 -43.047 13.906 1.00 0.00 C ATOM 20 O GLU A 2 37.444 -43.879 13.132 1.00 0.00 O ATOM 21 CB GLU A 2 39.725 -42.126 15.319 1.00 0.00 C ATOM 22 CG GLU A 2 41.225 -41.830 15.373 1.00 0.00 C ATOM 23 CD GLU A 2 41.583 -41.253 16.744 1.00 0.00 C ATOM 24 OE1 GLU A 2 41.212 -40.120 17.002 1.00 0.00 O ATOM 25 OE2 GLU A 2 42.224 -41.953 17.510 1.00 0.00 O ATOM 0 H GLU A 2 39.662 -40.714 13.210 1.00 0.00 H new ATOM 0 HA GLU A 2 39.950 -43.599 13.764 1.00 0.00 H new ATOM 0 HB2 GLU A 2 39.157 -41.215 15.505 1.00 0.00 H new ATOM 0 HB3 GLU A 2 39.455 -42.835 16.101 1.00 0.00 H new ATOM 0 HG2 GLU A 2 41.793 -42.742 15.191 1.00 0.00 H new ATOM 0 HG3 GLU A 2 41.496 -41.124 14.588 1.00 0.00 H new ATOM 32 N LEU A 3 37.074 -42.416 14.732 1.00 0.00 N ATOM 33 CA LEU A 3 35.606 -42.709 14.738 1.00 0.00 C ATOM 34 C LEU A 3 34.893 -41.697 13.839 1.00 0.00 C ATOM 35 O LEU A 3 34.340 -40.722 14.307 1.00 0.00 O ATOM 36 CB LEU A 3 35.029 -42.591 16.165 1.00 0.00 C ATOM 37 CG LEU A 3 35.756 -43.511 17.188 1.00 0.00 C ATOM 38 CD1 LEU A 3 36.247 -44.811 16.534 1.00 0.00 C ATOM 39 CD2 LEU A 3 36.945 -42.768 17.819 1.00 0.00 C ATOM 0 H LEU A 3 37.375 -41.710 15.403 1.00 0.00 H new ATOM 0 HA LEU A 3 35.453 -43.726 14.376 1.00 0.00 H new ATOM 0 HB2 LEU A 3 35.104 -41.556 16.498 1.00 0.00 H new ATOM 0 HB3 LEU A 3 33.969 -42.844 16.145 1.00 0.00 H new ATOM 0 HG LEU A 3 35.035 -43.774 17.963 1.00 0.00 H new ATOM 0 HD11 LEU A 3 36.749 -45.427 17.280 1.00 0.00 H new ATOM 0 HD12 LEU A 3 35.396 -45.357 16.126 1.00 0.00 H new ATOM 0 HD13 LEU A 3 36.944 -44.573 15.731 1.00 0.00 H new ATOM 0 HD21 LEU A 3 37.445 -43.422 18.533 1.00 0.00 H new ATOM 0 HD22 LEU A 3 37.648 -42.477 17.038 1.00 0.00 H new ATOM 0 HD23 LEU A 3 36.586 -41.877 18.334 1.00 0.00 H new ATOM 51 N ASP A 4 34.898 -41.920 12.553 1.00 0.00 N ATOM 52 CA ASP A 4 34.215 -40.969 11.629 1.00 0.00 C ATOM 53 C ASP A 4 32.720 -41.287 11.586 1.00 0.00 C ATOM 54 O ASP A 4 32.288 -42.166 10.867 1.00 0.00 O ATOM 55 CB ASP A 4 34.806 -41.109 10.225 1.00 0.00 C ATOM 56 CG ASP A 4 34.311 -39.961 9.343 1.00 0.00 C ATOM 57 OD1 ASP A 4 34.712 -38.836 9.591 1.00 0.00 O ATOM 58 OD2 ASP A 4 33.540 -40.227 8.437 1.00 0.00 O ATOM 0 H ASP A 4 35.345 -42.718 12.102 1.00 0.00 H new ATOM 0 HA ASP A 4 34.360 -39.949 11.984 1.00 0.00 H new ATOM 0 HB2 ASP A 4 35.895 -41.099 10.275 1.00 0.00 H new ATOM 0 HB3 ASP A 4 34.516 -42.066 9.791 1.00 0.00 H new ATOM 63 N VAL A 5 31.926 -40.579 12.358 1.00 0.00 N ATOM 64 CA VAL A 5 30.450 -40.825 12.381 1.00 0.00 C ATOM 65 C VAL A 5 29.724 -39.500 12.079 1.00 0.00 C ATOM 66 O VAL A 5 30.255 -38.434 12.318 1.00 0.00 O ATOM 67 CB VAL A 5 30.050 -41.335 13.781 1.00 0.00 C ATOM 68 CG1 VAL A 5 30.107 -42.866 13.821 1.00 0.00 C ATOM 69 CG2 VAL A 5 31.015 -40.771 14.833 1.00 0.00 C ATOM 0 H VAL A 5 32.243 -39.834 12.978 1.00 0.00 H new ATOM 0 HA VAL A 5 30.175 -41.570 11.634 1.00 0.00 H new ATOM 0 HB VAL A 5 29.034 -41.004 13.996 1.00 0.00 H new ATOM 0 HG11 VAL A 5 29.823 -43.215 14.814 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.418 -43.275 13.082 1.00 0.00 H new ATOM 0 HG13 VAL A 5 31.120 -43.198 13.596 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.729 -41.133 15.820 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.030 -41.096 14.607 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.972 -39.682 14.820 1.00 0.00 H new ATOM 79 N PRO A 6 28.518 -39.562 11.559 1.00 0.00 N ATOM 80 CA PRO A 6 27.725 -38.339 11.228 1.00 0.00 C ATOM 81 C PRO A 6 27.211 -37.621 12.486 1.00 0.00 C ATOM 82 O PRO A 6 26.138 -37.052 12.488 1.00 0.00 O ATOM 83 CB PRO A 6 26.552 -38.880 10.391 1.00 0.00 C ATOM 84 CG PRO A 6 26.387 -40.302 10.830 1.00 0.00 C ATOM 85 CD PRO A 6 27.781 -40.797 11.224 1.00 0.00 C ATOM 0 HA PRO A 6 28.324 -37.595 10.703 1.00 0.00 H new ATOM 0 HB2 PRO A 6 25.643 -38.305 10.567 1.00 0.00 H new ATOM 0 HB3 PRO A 6 26.767 -38.819 9.324 1.00 0.00 H new ATOM 0 HG2 PRO A 6 25.698 -40.371 11.672 1.00 0.00 H new ATOM 0 HG3 PRO A 6 25.971 -40.911 10.027 1.00 0.00 H new ATOM 0 HD2 PRO A 6 27.737 -41.478 12.074 1.00 0.00 H new ATOM 0 HD3 PRO A 6 28.258 -41.337 10.407 1.00 0.00 H new ATOM 93 N GLU A 7 27.966 -37.630 13.552 1.00 0.00 N ATOM 94 CA GLU A 7 27.503 -36.934 14.783 1.00 0.00 C ATOM 95 C GLU A 7 27.333 -35.446 14.470 1.00 0.00 C ATOM 96 O GLU A 7 26.479 -34.775 15.013 1.00 0.00 O ATOM 97 CB GLU A 7 28.531 -37.117 15.904 1.00 0.00 C ATOM 98 CG GLU A 7 29.935 -36.863 15.359 1.00 0.00 C ATOM 99 CD GLU A 7 30.940 -36.870 16.512 1.00 0.00 C ATOM 100 OE1 GLU A 7 30.533 -37.157 17.626 1.00 0.00 O ATOM 101 OE2 GLU A 7 32.101 -36.588 16.262 1.00 0.00 O ATOM 0 H GLU A 7 28.876 -38.086 13.622 1.00 0.00 H new ATOM 0 HA GLU A 7 26.552 -37.355 15.111 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.318 -36.429 16.722 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.465 -38.126 16.310 1.00 0.00 H new ATOM 0 HG2 GLU A 7 30.197 -37.629 14.629 1.00 0.00 H new ATOM 0 HG3 GLU A 7 29.967 -35.905 14.840 1.00 0.00 H new ATOM 108 N GLN A 8 28.140 -34.932 13.581 1.00 0.00 N ATOM 109 CA GLN A 8 28.027 -33.499 13.210 1.00 0.00 C ATOM 110 C GLN A 8 26.879 -33.332 12.211 1.00 0.00 C ATOM 111 O GLN A 8 25.931 -32.612 12.453 1.00 0.00 O ATOM 112 CB GLN A 8 29.342 -33.025 12.583 1.00 0.00 C ATOM 113 CG GLN A 8 30.521 -33.702 13.284 1.00 0.00 C ATOM 114 CD GLN A 8 31.818 -32.970 12.928 1.00 0.00 C ATOM 115 OE1 GLN A 8 31.788 -31.867 12.422 1.00 0.00 O ATOM 116 NE2 GLN A 8 32.964 -33.543 13.176 1.00 0.00 N ATOM 0 H GLN A 8 28.874 -35.448 13.096 1.00 0.00 H new ATOM 0 HA GLN A 8 27.825 -32.901 14.098 1.00 0.00 H new ATOM 0 HB2 GLN A 8 29.355 -33.261 11.519 1.00 0.00 H new ATOM 0 HB3 GLN A 8 29.428 -31.942 12.670 1.00 0.00 H new ATOM 0 HG2 GLN A 8 30.370 -33.692 14.363 1.00 0.00 H new ATOM 0 HG3 GLN A 8 30.586 -34.747 12.981 1.00 0.00 H new ATOM 0 HE21 GLN A 8 32.989 -34.470 13.601 1.00 0.00 H new ATOM 0 HE22 GLN A 8 33.834 -33.064 12.945 1.00 0.00 H new ATOM 125 N VAL A 9 26.958 -33.996 11.090 1.00 0.00 N ATOM 126 CA VAL A 9 25.873 -33.881 10.074 1.00 0.00 C ATOM 127 C VAL A 9 24.516 -34.052 10.757 1.00 0.00 C ATOM 128 O VAL A 9 23.499 -33.617 10.254 1.00 0.00 O ATOM 129 CB VAL A 9 26.053 -34.969 9.014 1.00 0.00 C ATOM 130 CG1 VAL A 9 24.946 -34.852 7.964 1.00 0.00 C ATOM 131 CG2 VAL A 9 27.416 -34.799 8.339 1.00 0.00 C ATOM 0 H VAL A 9 27.728 -34.614 10.834 1.00 0.00 H new ATOM 0 HA VAL A 9 25.919 -32.901 9.600 1.00 0.00 H new ATOM 0 HB VAL A 9 25.999 -35.949 9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 9 25.076 -35.628 7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 9 23.975 -34.972 8.444 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.997 -33.872 7.489 1.00 0.00 H new ATOM 0 HG21 VAL A 9 27.547 -35.573 7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 9 27.468 -33.818 7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 9 28.205 -34.884 9.086 1.00 0.00 H new ATOM 141 N ASP A 10 24.491 -34.668 11.907 1.00 0.00 N ATOM 142 CA ASP A 10 23.196 -34.842 12.619 1.00 0.00 C ATOM 143 C ASP A 10 22.628 -33.458 12.922 1.00 0.00 C ATOM 144 O ASP A 10 21.640 -33.049 12.347 1.00 0.00 O ATOM 145 CB ASP A 10 23.419 -35.607 13.926 1.00 0.00 C ATOM 146 CG ASP A 10 23.771 -37.063 13.614 1.00 0.00 C ATOM 147 OD1 ASP A 10 23.643 -37.449 12.464 1.00 0.00 O ATOM 148 OD2 ASP A 10 24.165 -37.765 14.531 1.00 0.00 O ATOM 0 H ASP A 10 25.307 -35.056 12.381 1.00 0.00 H new ATOM 0 HA ASP A 10 22.501 -35.408 11.999 1.00 0.00 H new ATOM 0 HB2 ASP A 10 24.222 -35.143 14.499 1.00 0.00 H new ATOM 0 HB3 ASP A 10 22.521 -35.563 14.543 1.00 0.00 H new ATOM 153 N LYS A 11 23.251 -32.746 13.835 1.00 0.00 N ATOM 154 CA LYS A 11 22.771 -31.374 14.210 1.00 0.00 C ATOM 155 C LYS A 11 22.206 -30.657 12.977 1.00 0.00 C ATOM 156 O LYS A 11 21.222 -29.950 13.055 1.00 0.00 O ATOM 157 CB LYS A 11 23.935 -30.546 14.785 1.00 0.00 C ATOM 158 CG LYS A 11 24.323 -31.042 16.205 1.00 0.00 C ATOM 159 CD LYS A 11 25.532 -31.995 16.130 1.00 0.00 C ATOM 160 CE LYS A 11 26.843 -31.196 16.099 1.00 0.00 C ATOM 161 NZ LYS A 11 26.898 -30.266 17.263 1.00 0.00 N ATOM 0 H LYS A 11 24.079 -33.060 14.341 1.00 0.00 H new ATOM 0 HA LYS A 11 21.989 -31.475 14.962 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.798 -30.617 14.123 1.00 0.00 H new ATOM 0 HB3 LYS A 11 23.651 -29.494 14.828 1.00 0.00 H new ATOM 0 HG2 LYS A 11 24.562 -30.190 16.842 1.00 0.00 H new ATOM 0 HG3 LYS A 11 23.476 -31.554 16.662 1.00 0.00 H new ATOM 0 HD2 LYS A 11 25.528 -32.666 16.989 1.00 0.00 H new ATOM 0 HD3 LYS A 11 25.457 -32.618 15.239 1.00 0.00 H new ATOM 0 HE2 LYS A 11 27.694 -31.876 16.125 1.00 0.00 H new ATOM 0 HE3 LYS A 11 26.914 -30.633 15.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 27.890 -30.052 17.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 26.399 -29.384 17.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 26.443 -30.712 18.085 1.00 0.00 H new ATOM 175 N LEU A 12 22.815 -30.849 11.836 1.00 0.00 N ATOM 176 CA LEU A 12 22.306 -30.194 10.601 1.00 0.00 C ATOM 177 C LEU A 12 20.955 -30.815 10.231 1.00 0.00 C ATOM 178 O LEU A 12 20.005 -30.119 9.937 1.00 0.00 O ATOM 179 CB LEU A 12 23.324 -30.392 9.459 1.00 0.00 C ATOM 180 CG LEU A 12 24.350 -29.236 9.428 1.00 0.00 C ATOM 181 CD1 LEU A 12 23.714 -27.957 8.850 1.00 0.00 C ATOM 182 CD2 LEU A 12 24.875 -28.956 10.849 1.00 0.00 C ATOM 0 H LEU A 12 23.643 -31.432 11.709 1.00 0.00 H new ATOM 0 HA LEU A 12 22.174 -29.125 10.767 1.00 0.00 H new ATOM 0 HB2 LEU A 12 23.844 -31.341 9.590 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.800 -30.444 8.505 1.00 0.00 H new ATOM 0 HG LEU A 12 25.180 -29.534 8.788 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.454 -27.156 8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.370 -28.149 7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.868 -27.659 9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.597 -28.140 10.816 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.043 -28.678 11.496 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.357 -29.851 11.242 1.00 0.00 H new ATOM 194 N ILE A 13 20.853 -32.117 10.255 1.00 0.00 N ATOM 195 CA ILE A 13 19.552 -32.755 9.917 1.00 0.00 C ATOM 196 C ILE A 13 18.491 -32.217 10.876 1.00 0.00 C ATOM 197 O ILE A 13 17.460 -31.724 10.466 1.00 0.00 O ATOM 198 CB ILE A 13 19.665 -34.276 10.057 1.00 0.00 C ATOM 199 CG1 ILE A 13 20.599 -34.815 8.969 1.00 0.00 C ATOM 200 CG2 ILE A 13 18.279 -34.908 9.895 1.00 0.00 C ATOM 201 CD1 ILE A 13 20.903 -36.291 9.234 1.00 0.00 C ATOM 0 H ILE A 13 21.608 -32.760 10.492 1.00 0.00 H new ATOM 0 HA ILE A 13 19.276 -32.524 8.888 1.00 0.00 H new ATOM 0 HB ILE A 13 20.065 -34.524 11.040 1.00 0.00 H new ATOM 0 HG12 ILE A 13 20.136 -34.700 7.989 1.00 0.00 H new ATOM 0 HG13 ILE A 13 21.525 -34.240 8.954 1.00 0.00 H new ATOM 0 HG21 ILE A 13 18.359 -35.991 9.995 1.00 0.00 H new ATOM 0 HG22 ILE A 13 17.611 -34.521 10.664 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.880 -34.663 8.911 1.00 0.00 H new ATOM 0 HD11 ILE A 13 21.568 -36.671 8.458 1.00 0.00 H new ATOM 0 HD12 ILE A 13 21.384 -36.394 10.206 1.00 0.00 H new ATOM 0 HD13 ILE A 13 19.974 -36.861 9.227 1.00 0.00 H new ATOM 213 N GLN A 14 18.745 -32.293 12.155 1.00 0.00 N ATOM 214 CA GLN A 14 17.762 -31.771 13.139 1.00 0.00 C ATOM 215 C GLN A 14 17.512 -30.290 12.842 1.00 0.00 C ATOM 216 O GLN A 14 16.387 -29.850 12.717 1.00 0.00 O ATOM 217 CB GLN A 14 18.334 -31.926 14.548 1.00 0.00 C ATOM 218 CG GLN A 14 18.470 -33.413 14.886 1.00 0.00 C ATOM 219 CD GLN A 14 18.685 -33.578 16.393 1.00 0.00 C ATOM 220 OE1 GLN A 14 17.793 -33.996 17.104 1.00 0.00 O ATOM 221 NE2 GLN A 14 19.840 -33.264 16.912 1.00 0.00 N ATOM 0 H GLN A 14 19.592 -32.695 12.558 1.00 0.00 H new ATOM 0 HA GLN A 14 16.825 -32.323 13.069 1.00 0.00 H new ATOM 0 HB2 GLN A 14 19.306 -31.438 14.612 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.683 -31.436 15.272 1.00 0.00 H new ATOM 0 HG2 GLN A 14 17.574 -33.951 14.575 1.00 0.00 H new ATOM 0 HG3 GLN A 14 19.308 -33.846 14.339 1.00 0.00 H new ATOM 0 HE21 GLN A 14 20.589 -32.913 16.315 1.00 0.00 H new ATOM 0 HE22 GLN A 14 19.994 -33.369 17.915 1.00 0.00 H new ATOM 230 N GLN A 15 18.561 -29.525 12.719 1.00 0.00 N ATOM 231 CA GLN A 15 18.399 -28.074 12.418 1.00 0.00 C ATOM 232 C GLN A 15 17.689 -27.919 11.071 1.00 0.00 C ATOM 233 O GLN A 15 16.622 -27.344 10.986 1.00 0.00 O ATOM 234 CB GLN A 15 19.775 -27.409 12.349 1.00 0.00 C ATOM 235 CG GLN A 15 20.356 -27.282 13.760 1.00 0.00 C ATOM 236 CD GLN A 15 19.659 -26.141 14.502 1.00 0.00 C ATOM 237 OE1 GLN A 15 19.592 -25.032 14.010 1.00 0.00 O ATOM 238 NE2 GLN A 15 19.132 -26.366 15.676 1.00 0.00 N ATOM 0 H GLN A 15 19.526 -29.842 12.814 1.00 0.00 H new ATOM 0 HA GLN A 15 17.809 -27.600 13.202 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.444 -27.998 11.721 1.00 0.00 H new ATOM 0 HB3 GLN A 15 19.691 -26.424 11.889 1.00 0.00 H new ATOM 0 HG2 GLN A 15 20.224 -28.217 14.304 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.428 -27.093 13.707 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.188 -27.297 16.090 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.665 -25.611 16.179 1.00 0.00 H new ATOM 247 N ALA A 16 18.263 -28.435 10.018 1.00 0.00 N ATOM 248 CA ALA A 16 17.607 -28.318 8.686 1.00 0.00 C ATOM 249 C ALA A 16 16.189 -28.879 8.782 1.00 0.00 C ATOM 250 O ALA A 16 15.269 -28.380 8.164 1.00 0.00 O ATOM 251 CB ALA A 16 18.402 -29.107 7.645 1.00 0.00 C ATOM 0 H ALA A 16 19.155 -28.931 10.023 1.00 0.00 H new ATOM 0 HA ALA A 16 17.572 -27.271 8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.917 -29.018 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 16 19.415 -28.710 7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.441 -30.157 7.936 1.00 0.00 H new ATOM 257 N THR A 17 16.001 -29.903 9.567 1.00 0.00 N ATOM 258 CA THR A 17 14.637 -30.481 9.717 1.00 0.00 C ATOM 259 C THR A 17 13.746 -29.432 10.376 1.00 0.00 C ATOM 260 O THR A 17 12.700 -29.079 9.867 1.00 0.00 O ATOM 261 CB THR A 17 14.704 -31.737 10.599 1.00 0.00 C ATOM 262 OG1 THR A 17 15.260 -32.807 9.848 1.00 0.00 O ATOM 263 CG2 THR A 17 13.299 -32.124 11.077 1.00 0.00 C ATOM 0 H THR A 17 16.731 -30.364 10.110 1.00 0.00 H new ATOM 0 HA THR A 17 14.233 -30.758 8.743 1.00 0.00 H new ATOM 0 HB THR A 17 15.328 -31.530 11.468 1.00 0.00 H new ATOM 0 HG1 THR A 17 16.219 -32.877 10.038 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.360 -33.016 11.701 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.873 -31.304 11.656 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.664 -32.328 10.214 1.00 0.00 H new ATOM 271 N SER A 18 14.156 -28.936 11.512 1.00 0.00 N ATOM 272 CA SER A 18 13.345 -27.910 12.224 1.00 0.00 C ATOM 273 C SER A 18 12.851 -26.859 11.224 1.00 0.00 C ATOM 274 O SER A 18 11.699 -26.857 10.840 1.00 0.00 O ATOM 275 CB SER A 18 14.206 -27.239 13.294 1.00 0.00 C ATOM 276 OG SER A 18 15.209 -26.454 12.665 1.00 0.00 O ATOM 0 H SER A 18 15.023 -29.200 11.979 1.00 0.00 H new ATOM 0 HA SER A 18 12.485 -28.387 12.695 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.586 -26.612 13.935 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.666 -27.993 13.933 1.00 0.00 H new ATOM 0 HG SER A 18 15.736 -27.019 12.062 1.00 0.00 H new ATOM 282 N ILE A 19 13.708 -25.961 10.811 1.00 0.00 N ATOM 283 CA ILE A 19 13.322 -24.885 9.847 1.00 0.00 C ATOM 284 C ILE A 19 12.284 -25.376 8.823 1.00 0.00 C ATOM 285 O ILE A 19 11.257 -24.758 8.635 1.00 0.00 O ATOM 286 CB ILE A 19 14.621 -24.426 9.134 1.00 0.00 C ATOM 287 CG1 ILE A 19 15.365 -23.417 10.015 1.00 0.00 C ATOM 288 CG2 ILE A 19 14.321 -23.757 7.787 1.00 0.00 C ATOM 289 CD1 ILE A 19 15.796 -24.075 11.330 1.00 0.00 C ATOM 0 H ILE A 19 14.683 -25.928 11.109 1.00 0.00 H new ATOM 0 HA ILE A 19 12.854 -24.059 10.382 1.00 0.00 H new ATOM 0 HB ILE A 19 15.229 -25.314 8.960 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.240 -23.038 9.486 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.722 -22.561 10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 19 15.255 -23.449 7.318 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.804 -24.463 7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.690 -22.883 7.947 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.323 -23.346 11.946 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.915 -24.432 11.864 1.00 0.00 H new ATOM 0 HD13 ILE A 19 16.456 -24.916 11.117 1.00 0.00 H new ATOM 301 N GLU A 20 12.543 -26.457 8.149 1.00 0.00 N ATOM 302 CA GLU A 20 11.566 -26.940 7.131 1.00 0.00 C ATOM 303 C GLU A 20 10.140 -26.934 7.697 1.00 0.00 C ATOM 304 O GLU A 20 9.259 -26.286 7.168 1.00 0.00 O ATOM 305 CB GLU A 20 11.935 -28.364 6.702 1.00 0.00 C ATOM 306 CG GLU A 20 13.155 -28.323 5.778 1.00 0.00 C ATOM 307 CD GLU A 20 13.579 -29.752 5.432 1.00 0.00 C ATOM 308 OE1 GLU A 20 12.719 -30.527 5.047 1.00 0.00 O ATOM 309 OE2 GLU A 20 14.755 -30.047 5.559 1.00 0.00 O ATOM 0 H GLU A 20 13.383 -27.027 8.255 1.00 0.00 H new ATOM 0 HA GLU A 20 11.603 -26.270 6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.151 -28.974 7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.093 -28.830 6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.917 -27.772 4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.976 -27.796 6.264 1.00 0.00 H new ATOM 316 N ARG A 21 9.897 -27.664 8.750 1.00 0.00 N ATOM 317 CA ARG A 21 8.522 -27.718 9.322 1.00 0.00 C ATOM 318 C ARG A 21 8.235 -26.479 10.179 1.00 0.00 C ATOM 319 O ARG A 21 7.095 -26.130 10.409 1.00 0.00 O ATOM 320 CB ARG A 21 8.383 -28.970 10.190 1.00 0.00 C ATOM 321 CG ARG A 21 8.994 -30.171 9.464 1.00 0.00 C ATOM 322 CD ARG A 21 8.318 -30.351 8.102 1.00 0.00 C ATOM 323 NE ARG A 21 8.581 -31.727 7.593 1.00 0.00 N ATOM 324 CZ ARG A 21 7.863 -32.211 6.616 1.00 0.00 C ATOM 325 NH1 ARG A 21 6.612 -31.863 6.491 1.00 0.00 N ATOM 326 NH2 ARG A 21 8.397 -33.042 5.763 1.00 0.00 N ATOM 0 H ARG A 21 10.592 -28.227 9.240 1.00 0.00 H new ATOM 0 HA ARG A 21 7.808 -27.747 8.499 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.883 -28.818 11.147 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.332 -29.160 10.406 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.066 -30.021 9.332 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.870 -31.072 10.064 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.245 -30.184 8.192 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.697 -29.612 7.396 1.00 0.00 H new ATOM 0 HE ARG A 21 9.323 -32.291 8.008 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.195 -31.213 7.157 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.051 -32.241 5.728 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.375 -33.313 5.860 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.836 -33.420 5.000 1.00 0.00 H new ATOM 340 N LEU A 22 9.249 -25.817 10.664 1.00 0.00 N ATOM 341 CA LEU A 22 9.017 -24.610 11.516 1.00 0.00 C ATOM 342 C LEU A 22 8.856 -23.355 10.644 1.00 0.00 C ATOM 343 O LEU A 22 8.025 -22.511 10.911 1.00 0.00 O ATOM 344 CB LEU A 22 10.218 -24.429 12.470 1.00 0.00 C ATOM 345 CG LEU A 22 9.970 -25.172 13.790 1.00 0.00 C ATOM 346 CD1 LEU A 22 9.835 -26.668 13.531 1.00 0.00 C ATOM 347 CD2 LEU A 22 11.138 -24.925 14.755 1.00 0.00 C ATOM 0 H LEU A 22 10.228 -26.057 10.509 1.00 0.00 H new ATOM 0 HA LEU A 22 8.101 -24.750 12.090 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.125 -24.806 11.998 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.378 -23.369 12.667 1.00 0.00 H new ATOM 0 HG LEU A 22 9.047 -24.800 14.234 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.659 -27.186 14.474 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.997 -26.846 12.857 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.752 -27.043 13.077 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.956 -25.455 15.690 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.063 -25.287 14.307 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.225 -23.857 14.955 1.00 0.00 H new ATOM 359 N CYS A 23 9.674 -23.199 9.639 1.00 0.00 N ATOM 360 CA CYS A 23 9.600 -21.971 8.796 1.00 0.00 C ATOM 361 C CYS A 23 8.549 -22.092 7.688 1.00 0.00 C ATOM 362 O CYS A 23 8.152 -21.101 7.108 1.00 0.00 O ATOM 363 CB CYS A 23 10.967 -21.735 8.165 1.00 0.00 C ATOM 364 SG CYS A 23 12.168 -21.312 9.457 1.00 0.00 S ATOM 0 H CYS A 23 10.392 -23.870 9.365 1.00 0.00 H new ATOM 0 HA CYS A 23 9.309 -21.137 9.434 1.00 0.00 H new ATOM 0 HB2 CYS A 23 11.291 -22.628 7.631 1.00 0.00 H new ATOM 0 HB3 CYS A 23 10.907 -20.930 7.433 1.00 0.00 H new ATOM 369 N GLN A 24 8.093 -23.270 7.366 1.00 0.00 N ATOM 370 CA GLN A 24 7.080 -23.384 6.280 1.00 0.00 C ATOM 371 C GLN A 24 5.700 -22.977 6.809 1.00 0.00 C ATOM 372 O GLN A 24 4.789 -22.715 6.049 1.00 0.00 O ATOM 373 CB GLN A 24 7.035 -24.835 5.786 1.00 0.00 C ATOM 374 CG GLN A 24 8.219 -25.101 4.852 1.00 0.00 C ATOM 375 CD GLN A 24 7.991 -24.381 3.519 1.00 0.00 C ATOM 376 OE1 GLN A 24 8.784 -23.551 3.121 1.00 0.00 O ATOM 377 NE2 GLN A 24 6.933 -24.666 2.810 1.00 0.00 N ATOM 0 H GLN A 24 8.373 -24.149 7.801 1.00 0.00 H new ATOM 0 HA GLN A 24 7.353 -22.723 5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.068 -25.519 6.634 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.098 -25.022 5.262 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.144 -24.753 5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.330 -26.172 4.684 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.267 -25.363 3.144 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.772 -24.192 1.921 1.00 0.00 H new ATOM 386 N HIS A 25 5.528 -22.936 8.104 1.00 0.00 N ATOM 387 CA HIS A 25 4.196 -22.564 8.673 1.00 0.00 C ATOM 388 C HIS A 25 4.101 -21.052 8.893 1.00 0.00 C ATOM 389 O HIS A 25 3.034 -20.476 8.813 1.00 0.00 O ATOM 390 CB HIS A 25 4.004 -23.275 10.014 1.00 0.00 C ATOM 391 CG HIS A 25 3.834 -24.750 9.783 1.00 0.00 C ATOM 392 ND1 HIS A 25 4.012 -25.328 8.536 1.00 0.00 N ATOM 393 CD2 HIS A 25 3.505 -25.779 10.630 1.00 0.00 C ATOM 394 CE1 HIS A 25 3.791 -26.648 8.667 1.00 0.00 C ATOM 395 NE2 HIS A 25 3.477 -26.977 9.923 1.00 0.00 N ATOM 0 H HIS A 25 6.251 -23.144 8.793 1.00 0.00 H new ATOM 0 HA HIS A 25 3.421 -22.866 7.968 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.864 -23.094 10.659 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.130 -22.874 10.528 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.299 -25.674 11.685 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.859 -27.357 7.855 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.263 -27.906 10.286 1.00 0.00 H new ATOM 403 N TYR A 26 5.193 -20.401 9.196 1.00 0.00 N ATOM 404 CA TYR A 26 5.142 -18.933 9.451 1.00 0.00 C ATOM 405 C TYR A 26 5.420 -18.136 8.174 1.00 0.00 C ATOM 406 O TYR A 26 5.316 -18.629 7.067 1.00 0.00 O ATOM 407 CB TYR A 26 6.198 -18.574 10.495 1.00 0.00 C ATOM 408 CG TYR A 26 6.094 -19.516 11.676 1.00 0.00 C ATOM 409 CD1 TYR A 26 4.899 -19.600 12.404 1.00 0.00 C ATOM 410 CD2 TYR A 26 7.193 -20.304 12.044 1.00 0.00 C ATOM 411 CE1 TYR A 26 4.805 -20.470 13.496 1.00 0.00 C ATOM 412 CE2 TYR A 26 7.097 -21.174 13.136 1.00 0.00 C ATOM 413 CZ TYR A 26 5.902 -21.258 13.861 1.00 0.00 C ATOM 414 OH TYR A 26 5.807 -22.116 14.937 1.00 0.00 O ATOM 0 H TYR A 26 6.118 -20.823 9.278 1.00 0.00 H new ATOM 0 HA TYR A 26 4.143 -18.681 9.806 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.193 -18.637 10.055 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.060 -17.545 10.826 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.051 -18.993 12.122 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.115 -20.240 11.485 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.885 -20.533 14.058 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.944 -21.780 13.419 1.00 0.00 H new ATOM 0 HH TYR A 26 6.657 -22.589 15.054 1.00 0.00 H new ATOM 424 N ILE A 27 5.757 -16.886 8.348 1.00 0.00 N ATOM 425 CA ILE A 27 6.034 -15.995 7.184 1.00 0.00 C ATOM 426 C ILE A 27 7.515 -16.084 6.804 1.00 0.00 C ATOM 427 O ILE A 27 8.349 -16.455 7.607 1.00 0.00 O ATOM 428 CB ILE A 27 5.684 -14.550 7.562 1.00 0.00 C ATOM 429 CG1 ILE A 27 4.161 -14.411 7.693 1.00 0.00 C ATOM 430 CG2 ILE A 27 6.186 -13.591 6.477 1.00 0.00 C ATOM 431 CD1 ILE A 27 3.643 -15.268 8.858 1.00 0.00 C ATOM 0 H ILE A 27 5.853 -16.439 9.260 1.00 0.00 H new ATOM 0 HA ILE A 27 5.429 -16.308 6.333 1.00 0.00 H new ATOM 0 HB ILE A 27 6.161 -14.304 8.511 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.898 -13.366 7.857 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.680 -14.719 6.765 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.934 -12.567 6.752 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.268 -13.685 6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.714 -13.838 5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.561 -15.158 8.938 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.889 -16.314 8.678 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.110 -14.940 9.787 1.00 0.00 H new ATOM 443 N GLY A 28 7.833 -15.757 5.573 1.00 0.00 N ATOM 444 CA GLY A 28 9.252 -15.819 5.096 1.00 0.00 C ATOM 445 C GLY A 28 10.204 -15.360 6.203 1.00 0.00 C ATOM 446 O GLY A 28 11.205 -15.994 6.471 1.00 0.00 O ATOM 0 H GLY A 28 7.162 -15.446 4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.498 -16.837 4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.375 -15.188 4.216 1.00 0.00 H new ATOM 450 N TRP A 29 9.897 -14.272 6.854 1.00 0.00 N ATOM 451 CA TRP A 29 10.781 -13.791 7.950 1.00 0.00 C ATOM 452 C TRP A 29 10.810 -14.847 9.056 1.00 0.00 C ATOM 453 O TRP A 29 10.173 -14.699 10.081 1.00 0.00 O ATOM 454 CB TRP A 29 10.233 -12.476 8.515 1.00 0.00 C ATOM 455 CG TRP A 29 11.055 -12.058 9.692 1.00 0.00 C ATOM 456 CD1 TRP A 29 12.397 -11.904 9.679 1.00 0.00 C ATOM 457 CD2 TRP A 29 10.621 -11.743 11.049 1.00 0.00 C ATOM 458 NE1 TRP A 29 12.817 -11.514 10.937 1.00 0.00 N ATOM 459 CE2 TRP A 29 11.759 -11.401 11.818 1.00 0.00 C ATOM 460 CE3 TRP A 29 9.364 -11.722 11.679 1.00 0.00 C ATOM 461 CZ2 TRP A 29 11.653 -11.049 13.165 1.00 0.00 C ATOM 462 CZ3 TRP A 29 9.253 -11.369 13.036 1.00 0.00 C ATOM 463 CH2 TRP A 29 10.395 -11.033 13.775 1.00 0.00 C ATOM 0 H TRP A 29 9.074 -13.697 6.674 1.00 0.00 H new ATOM 0 HA TRP A 29 11.787 -13.623 7.567 1.00 0.00 H new ATOM 0 HB2 TRP A 29 10.256 -11.701 7.749 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.192 -12.601 8.811 1.00 0.00 H new ATOM 0 HD1 TRP A 29 13.038 -12.060 8.824 1.00 0.00 H new ATOM 0 HE1 TRP A 29 13.790 -11.332 11.185 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.478 -11.979 11.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 12.536 -10.791 13.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.283 -11.357 13.511 1.00 0.00 H new ATOM 0 HH2 TRP A 29 10.303 -10.762 14.816 1.00 0.00 H new ATOM 474 N CYS A 30 11.534 -15.919 8.858 1.00 0.00 N ATOM 475 CA CYS A 30 11.599 -16.996 9.892 1.00 0.00 C ATOM 476 C CYS A 30 12.897 -16.835 10.707 1.00 0.00 C ATOM 477 O CYS A 30 13.971 -17.079 10.192 1.00 0.00 O ATOM 478 CB CYS A 30 11.623 -18.351 9.178 1.00 0.00 C ATOM 479 SG CYS A 30 11.389 -19.686 10.376 1.00 0.00 S ATOM 0 H CYS A 30 12.086 -16.096 8.019 1.00 0.00 H new ATOM 0 HA CYS A 30 10.738 -16.933 10.557 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.838 -18.387 8.423 1.00 0.00 H new ATOM 0 HB3 CYS A 30 12.572 -18.480 8.658 1.00 0.00 H new ATOM 484 N PRO A 31 12.829 -16.429 11.960 1.00 0.00 N ATOM 485 CA PRO A 31 14.057 -16.253 12.786 1.00 0.00 C ATOM 486 C PRO A 31 14.618 -17.604 13.253 1.00 0.00 C ATOM 487 O PRO A 31 14.925 -17.799 14.413 1.00 0.00 O ATOM 488 CB PRO A 31 13.585 -15.397 13.973 1.00 0.00 C ATOM 489 CG PRO A 31 12.116 -15.672 14.107 1.00 0.00 C ATOM 490 CD PRO A 31 11.606 -16.096 12.720 1.00 0.00 C ATOM 0 HA PRO A 31 14.870 -15.784 12.232 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.119 -15.663 14.885 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.771 -14.338 13.792 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.937 -16.459 14.840 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.588 -14.784 14.456 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.936 -16.953 12.789 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.047 -15.292 12.240 1.00 0.00 H new ATOM 498 N PHE A 32 14.753 -18.540 12.343 1.00 0.00 N ATOM 499 CA PHE A 32 15.295 -19.890 12.699 1.00 0.00 C ATOM 500 C PHE A 32 16.425 -20.252 11.724 1.00 0.00 C ATOM 501 O PHE A 32 16.404 -21.285 11.101 1.00 0.00 O ATOM 502 CB PHE A 32 14.172 -20.943 12.587 1.00 0.00 C ATOM 503 CG PHE A 32 13.343 -20.972 13.856 1.00 0.00 C ATOM 504 CD1 PHE A 32 12.518 -19.890 14.186 1.00 0.00 C ATOM 505 CD2 PHE A 32 13.393 -22.093 14.698 1.00 0.00 C ATOM 506 CE1 PHE A 32 11.749 -19.927 15.356 1.00 0.00 C ATOM 507 CE2 PHE A 32 12.625 -22.131 15.864 1.00 0.00 C ATOM 508 CZ PHE A 32 11.803 -21.047 16.195 1.00 0.00 C ATOM 0 H PHE A 32 14.508 -18.425 11.360 1.00 0.00 H new ATOM 0 HA PHE A 32 15.677 -19.872 13.720 1.00 0.00 H new ATOM 0 HB2 PHE A 32 13.534 -20.713 11.734 1.00 0.00 H new ATOM 0 HB3 PHE A 32 14.605 -21.927 12.406 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.475 -19.027 13.538 1.00 0.00 H new ATOM 0 HD2 PHE A 32 14.027 -22.929 14.444 1.00 0.00 H new ATOM 0 HE1 PHE A 32 11.114 -19.091 15.611 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.665 -22.996 16.510 1.00 0.00 H new ATOM 0 HZ PHE A 32 11.210 -21.075 17.098 1.00 0.00 H new ATOM 518 N TRP A 33 17.407 -19.408 11.572 1.00 0.00 N ATOM 519 CA TRP A 33 18.528 -19.720 10.627 1.00 0.00 C ATOM 520 C TRP A 33 19.855 -19.338 11.290 1.00 0.00 C ATOM 521 O TRP A 33 20.546 -20.233 11.749 1.00 0.00 O ATOM 522 CB TRP A 33 18.344 -18.904 9.341 1.00 0.00 C ATOM 523 CG TRP A 33 17.371 -19.574 8.417 1.00 0.00 C ATOM 524 CD1 TRP A 33 17.453 -20.854 7.973 1.00 0.00 C ATOM 525 CD2 TRP A 33 16.178 -19.006 7.804 1.00 0.00 C ATOM 526 NE1 TRP A 33 16.384 -21.102 7.132 1.00 0.00 N ATOM 527 CE2 TRP A 33 15.570 -19.996 6.996 1.00 0.00 C ATOM 528 CE3 TRP A 33 15.570 -17.740 7.871 1.00 0.00 C ATOM 529 CZ2 TRP A 33 14.401 -19.738 6.280 1.00 0.00 C ATOM 530 CZ3 TRP A 33 14.393 -17.477 7.151 1.00 0.00 C ATOM 531 CH2 TRP A 33 13.810 -18.475 6.357 1.00 0.00 C ATOM 532 OXT TRP A 33 20.157 -18.156 11.327 1.00 0.00 O ATOM 0 H TRP A 33 17.486 -18.515 12.059 1.00 0.00 H new ATOM 0 HA TRP A 33 18.530 -20.783 10.385 1.00 0.00 H new ATOM 0 HB2 TRP A 33 17.988 -17.904 9.588 1.00 0.00 H new ATOM 0 HB3 TRP A 33 19.305 -18.785 8.840 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.226 -21.562 8.234 1.00 0.00 H new ATOM 0 HE1 TRP A 33 16.217 -21.995 6.668 1.00 0.00 H new ATOM 0 HE3 TRP A 33 16.011 -16.965 8.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 13.956 -20.510 5.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 13.935 -16.501 7.209 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.905 -18.267 5.806 1.00 0.00 H new TER 543 TRP A 33