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= -0.0826 X(o=-0.083,f=-0.13) USER MOD Single : A 1 ASN N :NH3+ -166:sc= 0 (180deg=-0.167) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= -0.327 (180deg=-1.59!) USER MOD Single : A 14 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.73) USER MOD Single : A 15 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.16) USER MOD Single : A 17 THR OG1 : rot 65:sc= 1.01 USER MOD Single : A 18 SER OG : rot -61:sc= -0.861! USER MOD Single : A 24 GLN : amide:sc= -0.133 K(o=-0.13,f=-0.8) USER MOD Single : A 25 HIS : no HD1:sc= -0.119 K(o=-0.12,f=-0.89) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 42.375 -39.402 15.095 1.00 0.00 N ATOM 2 CA ASN A 1 40.978 -39.675 14.652 1.00 0.00 C ATOM 3 C ASN A 1 40.144 -40.143 15.849 1.00 0.00 C ATOM 4 O ASN A 1 39.159 -39.528 16.209 1.00 0.00 O ATOM 5 CB ASN A 1 40.986 -40.766 13.579 1.00 0.00 C ATOM 6 CG ASN A 1 41.825 -40.307 12.384 1.00 0.00 C ATOM 7 OD1 ASN A 1 41.591 -39.252 11.831 1.00 0.00 O ATOM 8 ND2 ASN A 1 42.799 -41.065 11.958 1.00 0.00 N ATOM 0 H1 ASN A 1 42.875 -38.867 14.357 1.00 0.00 H new ATOM 0 H2 ASN A 1 42.358 -38.846 15.974 1.00 0.00 H new ATOM 0 H3 ASN A 1 42.868 -40.302 15.264 1.00 0.00 H new ATOM 0 HA ASN A 1 40.544 -38.764 14.240 1.00 0.00 H new ATOM 0 HB2 ASN A 1 41.394 -41.690 13.989 1.00 0.00 H new ATOM 0 HB3 ASN A 1 39.967 -40.982 13.259 1.00 0.00 H new ATOM 0 HD21 ASN A 1 43.363 -40.771 11.161 1.00 0.00 H new ATOM 0 HD22 ASN A 1 42.996 -41.952 12.422 1.00 0.00 H new ATOM 17 N GLU A 2 40.526 -41.228 16.466 1.00 0.00 N ATOM 18 CA GLU A 2 39.751 -41.734 17.636 1.00 0.00 C ATOM 19 C GLU A 2 38.271 -41.843 17.261 1.00 0.00 C ATOM 20 O GLU A 2 37.817 -42.867 16.790 1.00 0.00 O ATOM 21 CB GLU A 2 39.909 -40.770 18.814 1.00 0.00 C ATOM 22 CG GLU A 2 41.373 -40.738 19.257 1.00 0.00 C ATOM 23 CD GLU A 2 41.489 -39.994 20.588 1.00 0.00 C ATOM 24 OE1 GLU A 2 41.169 -40.586 21.606 1.00 0.00 O ATOM 25 OE2 GLU A 2 41.895 -38.843 20.567 1.00 0.00 O ATOM 0 H GLU A 2 41.341 -41.786 16.211 1.00 0.00 H new ATOM 0 HA GLU A 2 40.128 -42.717 17.920 1.00 0.00 H new ATOM 0 HB2 GLU A 2 39.584 -39.770 18.525 1.00 0.00 H new ATOM 0 HB3 GLU A 2 39.274 -41.085 19.642 1.00 0.00 H new ATOM 0 HG2 GLU A 2 41.754 -41.754 19.362 1.00 0.00 H new ATOM 0 HG3 GLU A 2 41.982 -40.246 18.499 1.00 0.00 H new ATOM 32 N LEU A 3 37.513 -40.795 17.460 1.00 0.00 N ATOM 33 CA LEU A 3 36.061 -40.840 17.109 1.00 0.00 C ATOM 34 C LEU A 3 35.879 -40.362 15.667 1.00 0.00 C ATOM 35 O LEU A 3 36.618 -39.529 15.180 1.00 0.00 O ATOM 36 CB LEU A 3 35.245 -39.921 18.042 1.00 0.00 C ATOM 37 CG LEU A 3 35.428 -40.272 19.547 1.00 0.00 C ATOM 38 CD1 LEU A 3 35.674 -41.772 19.760 1.00 0.00 C ATOM 39 CD2 LEU A 3 36.602 -39.482 20.141 1.00 0.00 C ATOM 0 H LEU A 3 37.837 -39.910 17.850 1.00 0.00 H new ATOM 0 HA LEU A 3 35.707 -41.865 17.221 1.00 0.00 H new ATOM 0 HB2 LEU A 3 35.543 -38.886 17.876 1.00 0.00 H new ATOM 0 HB3 LEU A 3 34.189 -39.994 17.783 1.00 0.00 H new ATOM 0 HG LEU A 3 34.502 -40.000 20.053 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.796 -41.973 20.824 1.00 0.00 H new ATOM 0 HD12 LEU A 3 34.824 -42.338 19.379 1.00 0.00 H new ATOM 0 HD13 LEU A 3 36.577 -42.072 19.228 1.00 0.00 H new ATOM 0 HD21 LEU A 3 36.717 -39.738 21.194 1.00 0.00 H new ATOM 0 HD22 LEU A 3 37.517 -39.732 19.604 1.00 0.00 H new ATOM 0 HD23 LEU A 3 36.406 -38.414 20.047 1.00 0.00 H new ATOM 51 N ASP A 4 34.895 -40.882 14.986 1.00 0.00 N ATOM 52 CA ASP A 4 34.650 -40.462 13.576 1.00 0.00 C ATOM 53 C ASP A 4 33.204 -40.789 13.201 1.00 0.00 C ATOM 54 O ASP A 4 32.946 -41.704 12.444 1.00 0.00 O ATOM 55 CB ASP A 4 35.593 -41.224 12.641 1.00 0.00 C ATOM 56 CG ASP A 4 37.042 -40.878 12.979 1.00 0.00 C ATOM 57 OD1 ASP A 4 37.391 -39.713 12.890 1.00 0.00 O ATOM 58 OD2 ASP A 4 37.780 -41.787 13.321 1.00 0.00 O ATOM 0 H ASP A 4 34.247 -41.583 15.346 1.00 0.00 H new ATOM 0 HA ASP A 4 34.828 -39.391 13.480 1.00 0.00 H new ATOM 0 HB2 ASP A 4 35.432 -42.297 12.742 1.00 0.00 H new ATOM 0 HB3 ASP A 4 35.380 -40.966 11.604 1.00 0.00 H new ATOM 63 N VAL A 5 32.259 -40.049 13.730 1.00 0.00 N ATOM 64 CA VAL A 5 30.819 -40.303 13.423 1.00 0.00 C ATOM 65 C VAL A 5 30.200 -39.033 12.816 1.00 0.00 C ATOM 66 O VAL A 5 30.655 -37.936 13.076 1.00 0.00 O ATOM 67 CB VAL A 5 30.097 -40.642 14.736 1.00 0.00 C ATOM 68 CG1 VAL A 5 30.283 -42.122 15.072 1.00 0.00 C ATOM 69 CG2 VAL A 5 30.679 -39.791 15.869 1.00 0.00 C ATOM 0 H VAL A 5 32.428 -39.272 14.368 1.00 0.00 H new ATOM 0 HA VAL A 5 30.722 -41.127 12.716 1.00 0.00 H new ATOM 0 HB VAL A 5 29.034 -40.432 14.621 1.00 0.00 H new ATOM 0 HG11 VAL A 5 29.767 -42.351 16.004 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.869 -42.732 14.269 1.00 0.00 H new ATOM 0 HG13 VAL A 5 31.345 -42.339 15.182 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.169 -40.029 16.802 1.00 0.00 H new ATOM 0 HG22 VAL A 5 31.743 -40.003 15.973 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.540 -38.735 15.639 1.00 0.00 H new ATOM 79 N PRO A 6 29.161 -39.171 12.026 1.00 0.00 N ATOM 80 CA PRO A 6 28.472 -38.002 11.402 1.00 0.00 C ATOM 81 C PRO A 6 27.706 -37.194 12.458 1.00 0.00 C ATOM 82 O PRO A 6 26.590 -36.765 12.246 1.00 0.00 O ATOM 83 CB PRO A 6 27.513 -38.641 10.384 1.00 0.00 C ATOM 84 CG PRO A 6 27.248 -40.015 10.915 1.00 0.00 C ATOM 85 CD PRO A 6 28.527 -40.446 11.639 1.00 0.00 C ATOM 0 HA PRO A 6 29.164 -37.299 10.938 1.00 0.00 H new ATOM 0 HB2 PRO A 6 26.591 -38.067 10.296 1.00 0.00 H new ATOM 0 HB3 PRO A 6 27.960 -38.681 9.391 1.00 0.00 H new ATOM 0 HG2 PRO A 6 26.397 -40.012 11.596 1.00 0.00 H new ATOM 0 HG3 PRO A 6 27.007 -40.705 10.107 1.00 0.00 H new ATOM 0 HD2 PRO A 6 28.305 -41.063 12.510 1.00 0.00 H new ATOM 0 HD3 PRO A 6 29.175 -41.034 10.989 1.00 0.00 H new ATOM 93 N GLU A 7 28.302 -36.997 13.601 1.00 0.00 N ATOM 94 CA GLU A 7 27.621 -36.234 14.681 1.00 0.00 C ATOM 95 C GLU A 7 27.314 -34.819 14.178 1.00 0.00 C ATOM 96 O GLU A 7 26.194 -34.359 14.227 1.00 0.00 O ATOM 97 CB GLU A 7 28.554 -36.184 15.918 1.00 0.00 C ATOM 98 CG GLU A 7 27.820 -36.691 17.167 1.00 0.00 C ATOM 99 CD GLU A 7 28.695 -36.467 18.400 1.00 0.00 C ATOM 100 OE1 GLU A 7 29.863 -36.817 18.344 1.00 0.00 O ATOM 101 OE2 GLU A 7 28.184 -35.949 19.379 1.00 0.00 O ATOM 0 H GLU A 7 29.236 -37.334 13.833 1.00 0.00 H new ATOM 0 HA GLU A 7 26.684 -36.716 14.960 1.00 0.00 H new ATOM 0 HB2 GLU A 7 29.440 -36.793 15.737 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.897 -35.162 16.081 1.00 0.00 H new ATOM 0 HG2 GLU A 7 26.871 -36.167 17.282 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.588 -37.751 17.060 1.00 0.00 H new ATOM 108 N GLN A 8 28.310 -34.130 13.699 1.00 0.00 N ATOM 109 CA GLN A 8 28.079 -32.750 13.201 1.00 0.00 C ATOM 110 C GLN A 8 27.038 -32.777 12.079 1.00 0.00 C ATOM 111 O GLN A 8 26.011 -32.132 12.158 1.00 0.00 O ATOM 112 CB GLN A 8 29.395 -32.167 12.681 1.00 0.00 C ATOM 113 CG GLN A 8 30.547 -32.601 13.592 1.00 0.00 C ATOM 114 CD GLN A 8 31.778 -31.736 13.308 1.00 0.00 C ATOM 115 OE1 GLN A 8 32.028 -30.769 14.000 1.00 0.00 O ATOM 116 NE2 GLN A 8 32.562 -32.044 12.312 1.00 0.00 N ATOM 0 H GLN A 8 29.272 -34.463 13.631 1.00 0.00 H new ATOM 0 HA GLN A 8 27.709 -32.126 14.014 1.00 0.00 H new ATOM 0 HB2 GLN A 8 29.577 -32.507 11.661 1.00 0.00 H new ATOM 0 HB3 GLN A 8 29.334 -31.079 12.648 1.00 0.00 H new ATOM 0 HG2 GLN A 8 30.254 -32.503 14.637 1.00 0.00 H new ATOM 0 HG3 GLN A 8 30.781 -33.652 13.424 1.00 0.00 H new ATOM 0 HE21 GLN A 8 32.353 -32.856 11.731 1.00 0.00 H new ATOM 0 HE22 GLN A 8 33.384 -31.473 12.115 1.00 0.00 H new ATOM 125 N VAL A 9 27.296 -33.512 11.032 1.00 0.00 N ATOM 126 CA VAL A 9 26.320 -33.570 9.908 1.00 0.00 C ATOM 127 C VAL A 9 24.917 -33.842 10.456 1.00 0.00 C ATOM 128 O VAL A 9 23.927 -33.499 9.844 1.00 0.00 O ATOM 129 CB VAL A 9 26.715 -34.687 8.938 1.00 0.00 C ATOM 130 CG1 VAL A 9 25.713 -34.734 7.783 1.00 0.00 C ATOM 131 CG2 VAL A 9 28.117 -34.415 8.384 1.00 0.00 C ATOM 0 H VAL A 9 28.138 -34.073 10.907 1.00 0.00 H new ATOM 0 HA VAL A 9 26.324 -32.616 9.381 1.00 0.00 H new ATOM 0 HB VAL A 9 26.713 -35.642 9.464 1.00 0.00 H new ATOM 0 HG11 VAL A 9 25.992 -35.529 7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 9 24.715 -34.929 8.175 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.717 -33.778 7.259 1.00 0.00 H new ATOM 0 HG21 VAL A 9 28.396 -35.211 7.694 1.00 0.00 H new ATOM 0 HG22 VAL A 9 28.121 -33.460 7.858 1.00 0.00 H new ATOM 0 HG23 VAL A 9 28.832 -34.380 9.206 1.00 0.00 H new ATOM 141 N ASP A 10 24.820 -34.449 11.608 1.00 0.00 N ATOM 142 CA ASP A 10 23.472 -34.724 12.182 1.00 0.00 C ATOM 143 C ASP A 10 22.780 -33.388 12.463 1.00 0.00 C ATOM 144 O ASP A 10 21.794 -33.051 11.839 1.00 0.00 O ATOM 145 CB ASP A 10 23.613 -35.520 13.485 1.00 0.00 C ATOM 146 CG ASP A 10 22.273 -36.171 13.839 1.00 0.00 C ATOM 147 OD1 ASP A 10 21.285 -35.828 13.212 1.00 0.00 O ATOM 148 OD2 ASP A 10 22.260 -37.003 14.732 1.00 0.00 O ATOM 0 H ASP A 10 25.609 -34.764 12.172 1.00 0.00 H new ATOM 0 HA ASP A 10 22.881 -35.309 11.477 1.00 0.00 H new ATOM 0 HB2 ASP A 10 24.382 -36.285 13.374 1.00 0.00 H new ATOM 0 HB3 ASP A 10 23.933 -34.861 14.292 1.00 0.00 H new ATOM 153 N LYS A 11 23.285 -32.646 13.423 1.00 0.00 N ATOM 154 CA LYS A 11 22.668 -31.328 13.794 1.00 0.00 C ATOM 155 C LYS A 11 22.093 -30.634 12.549 1.00 0.00 C ATOM 156 O LYS A 11 21.092 -29.947 12.623 1.00 0.00 O ATOM 157 CB LYS A 11 23.729 -30.415 14.444 1.00 0.00 C ATOM 158 CG LYS A 11 24.036 -30.862 15.901 1.00 0.00 C ATOM 159 CD LYS A 11 25.310 -31.735 15.946 1.00 0.00 C ATOM 160 CE LYS A 11 26.560 -30.854 16.080 1.00 0.00 C ATOM 161 NZ LYS A 11 26.430 -29.963 17.268 1.00 0.00 N ATOM 0 H LYS A 11 24.107 -32.900 13.971 1.00 0.00 H new ATOM 0 HA LYS A 11 21.861 -31.512 14.503 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.644 -30.438 13.853 1.00 0.00 H new ATOM 0 HB3 LYS A 11 23.375 -29.384 14.444 1.00 0.00 H new ATOM 0 HG2 LYS A 11 24.167 -29.986 16.536 1.00 0.00 H new ATOM 0 HG3 LYS A 11 23.191 -31.422 16.301 1.00 0.00 H new ATOM 0 HD2 LYS A 11 25.254 -32.428 16.786 1.00 0.00 H new ATOM 0 HD3 LYS A 11 25.378 -32.337 15.040 1.00 0.00 H new ATOM 0 HE2 LYS A 11 27.447 -31.480 16.179 1.00 0.00 H new ATOM 0 HE3 LYS A 11 26.692 -30.255 15.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 27.376 -29.736 17.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 25.947 -29.085 16.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 25.877 -30.445 18.005 1.00 0.00 H new ATOM 175 N LEU A 12 22.700 -30.815 11.404 1.00 0.00 N ATOM 176 CA LEU A 12 22.160 -30.175 10.173 1.00 0.00 C ATOM 177 C LEU A 12 20.815 -30.829 9.830 1.00 0.00 C ATOM 178 O LEU A 12 19.844 -30.157 9.546 1.00 0.00 O ATOM 179 CB LEU A 12 23.154 -30.357 9.003 1.00 0.00 C ATOM 180 CG LEU A 12 24.159 -29.185 8.918 1.00 0.00 C ATOM 181 CD1 LEU A 12 23.511 -27.977 8.221 1.00 0.00 C ATOM 182 CD2 LEU A 12 24.653 -28.787 10.322 1.00 0.00 C ATOM 0 H LEU A 12 23.542 -31.376 11.271 1.00 0.00 H new ATOM 0 HA LEU A 12 22.018 -29.107 10.341 1.00 0.00 H new ATOM 0 HB2 LEU A 12 23.697 -31.294 9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.603 -30.432 8.066 1.00 0.00 H new ATOM 0 HG LEU A 12 25.017 -29.512 8.331 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.229 -27.159 8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.207 -28.259 7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.637 -27.656 8.787 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.359 -27.961 10.239 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.804 -28.479 10.933 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.146 -29.639 10.790 1.00 0.00 H new ATOM 194 N ILE A 13 20.748 -32.133 9.863 1.00 0.00 N ATOM 195 CA ILE A 13 19.463 -32.816 9.549 1.00 0.00 C ATOM 196 C ILE A 13 18.386 -32.280 10.490 1.00 0.00 C ATOM 197 O ILE A 13 17.337 -31.836 10.064 1.00 0.00 O ATOM 198 CB ILE A 13 19.624 -34.326 9.747 1.00 0.00 C ATOM 199 CG1 ILE A 13 20.590 -34.872 8.691 1.00 0.00 C ATOM 200 CG2 ILE A 13 18.262 -35.011 9.596 1.00 0.00 C ATOM 201 CD1 ILE A 13 20.936 -36.328 9.009 1.00 0.00 C ATOM 0 H ILE A 13 21.526 -32.752 10.093 1.00 0.00 H new ATOM 0 HA ILE A 13 19.178 -32.625 8.514 1.00 0.00 H new ATOM 0 HB ILE A 13 20.019 -34.524 10.743 1.00 0.00 H new ATOM 0 HG12 ILE A 13 20.138 -34.804 7.701 1.00 0.00 H new ATOM 0 HG13 ILE A 13 21.498 -34.269 8.669 1.00 0.00 H new ATOM 0 HG21 ILE A 13 18.378 -36.086 9.737 1.00 0.00 H new ATOM 0 HG22 ILE A 13 17.573 -34.619 10.344 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.865 -34.816 8.600 1.00 0.00 H new ATOM 0 HD11 ILE A 13 21.623 -36.712 8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 13 21.406 -36.384 9.991 1.00 0.00 H new ATOM 0 HD13 ILE A 13 20.025 -36.927 9.008 1.00 0.00 H new ATOM 213 N GLN A 14 18.643 -32.307 11.767 1.00 0.00 N ATOM 214 CA GLN A 14 17.648 -31.791 12.742 1.00 0.00 C ATOM 215 C GLN A 14 17.360 -30.320 12.429 1.00 0.00 C ATOM 216 O GLN A 14 16.223 -29.911 12.299 1.00 0.00 O ATOM 217 CB GLN A 14 18.220 -31.921 14.155 1.00 0.00 C ATOM 218 CG GLN A 14 18.102 -33.375 14.626 1.00 0.00 C ATOM 219 CD GLN A 14 16.648 -33.675 15.002 1.00 0.00 C ATOM 220 OE1 GLN A 14 16.013 -32.896 15.684 1.00 0.00 O ATOM 221 NE2 GLN A 14 16.093 -34.779 14.582 1.00 0.00 N ATOM 0 H GLN A 14 19.505 -32.667 12.178 1.00 0.00 H new ATOM 0 HA GLN A 14 16.722 -32.363 12.674 1.00 0.00 H new ATOM 0 HB2 GLN A 14 19.264 -31.608 14.166 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.683 -31.262 14.838 1.00 0.00 H new ATOM 0 HG2 GLN A 14 18.432 -34.052 13.837 1.00 0.00 H new ATOM 0 HG3 GLN A 14 18.753 -33.544 15.484 1.00 0.00 H new ATOM 0 HE21 GLN A 14 16.627 -35.433 14.009 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.125 -34.988 14.826 1.00 0.00 H new ATOM 230 N GLN A 15 18.386 -29.523 12.301 1.00 0.00 N ATOM 231 CA GLN A 15 18.180 -28.079 11.990 1.00 0.00 C ATOM 232 C GLN A 15 17.390 -27.947 10.685 1.00 0.00 C ATOM 233 O GLN A 15 16.313 -27.392 10.657 1.00 0.00 O ATOM 234 CB GLN A 15 19.538 -27.391 11.837 1.00 0.00 C ATOM 235 CG GLN A 15 20.180 -27.210 13.213 1.00 0.00 C ATOM 236 CD GLN A 15 19.455 -26.100 13.976 1.00 0.00 C ATOM 237 OE1 GLN A 15 19.495 -24.950 13.583 1.00 0.00 O ATOM 238 NE2 GLN A 15 18.791 -26.397 15.059 1.00 0.00 N ATOM 0 H GLN A 15 19.360 -29.810 12.399 1.00 0.00 H new ATOM 0 HA GLN A 15 17.624 -27.608 12.801 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.189 -27.987 11.197 1.00 0.00 H new ATOM 0 HB3 GLN A 15 19.414 -26.423 11.352 1.00 0.00 H new ATOM 0 HG2 GLN A 15 20.130 -28.143 13.774 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.235 -26.960 13.103 1.00 0.00 H new ATOM 0 HE21 GLN A 15 18.758 -27.362 15.388 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.305 -25.664 15.576 1.00 0.00 H new ATOM 247 N ALA A 16 17.912 -28.463 9.606 1.00 0.00 N ATOM 248 CA ALA A 16 17.179 -28.369 8.311 1.00 0.00 C ATOM 249 C ALA A 16 15.786 -28.976 8.483 1.00 0.00 C ATOM 250 O ALA A 16 14.811 -28.481 7.954 1.00 0.00 O ATOM 251 CB ALA A 16 17.940 -29.138 7.234 1.00 0.00 C ATOM 0 H ALA A 16 18.811 -28.944 9.564 1.00 0.00 H new ATOM 0 HA ALA A 16 17.093 -27.324 8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.402 -29.068 6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.936 -28.711 7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.025 -30.185 7.526 1.00 0.00 H new ATOM 257 N THR A 17 15.686 -30.034 9.239 1.00 0.00 N ATOM 258 CA THR A 17 14.355 -30.660 9.465 1.00 0.00 C ATOM 259 C THR A 17 13.479 -29.653 10.202 1.00 0.00 C ATOM 260 O THR A 17 12.398 -29.316 9.766 1.00 0.00 O ATOM 261 CB THR A 17 14.517 -31.919 10.317 1.00 0.00 C ATOM 262 OG1 THR A 17 15.198 -32.913 9.563 1.00 0.00 O ATOM 263 CG2 THR A 17 13.141 -32.445 10.732 1.00 0.00 C ATOM 0 H THR A 17 16.467 -30.491 9.709 1.00 0.00 H new ATOM 0 HA THR A 17 13.899 -30.936 8.514 1.00 0.00 H new ATOM 0 HB THR A 17 15.093 -31.679 11.211 1.00 0.00 H new ATOM 0 HG1 THR A 17 16.112 -32.612 9.375 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.262 -33.342 11.339 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.620 -31.683 11.311 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.560 -32.685 9.842 1.00 0.00 H new ATOM 271 N SER A 18 13.949 -29.168 11.318 1.00 0.00 N ATOM 272 CA SER A 18 13.160 -28.174 12.099 1.00 0.00 C ATOM 273 C SER A 18 12.588 -27.115 11.148 1.00 0.00 C ATOM 274 O SER A 18 11.423 -27.147 10.807 1.00 0.00 O ATOM 275 CB SER A 18 14.069 -27.506 13.134 1.00 0.00 C ATOM 276 OG SER A 18 14.997 -26.657 12.473 1.00 0.00 O ATOM 0 H SER A 18 14.850 -29.419 11.725 1.00 0.00 H new ATOM 0 HA SER A 18 12.339 -28.677 12.611 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.471 -26.929 13.840 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.600 -28.264 13.710 1.00 0.00 H new ATOM 0 HG SER A 18 15.550 -27.189 11.863 1.00 0.00 H new ATOM 282 N ILE A 19 13.394 -26.176 10.724 1.00 0.00 N ATOM 283 CA ILE A 19 12.933 -25.092 9.802 1.00 0.00 C ATOM 284 C ILE A 19 11.874 -25.587 8.798 1.00 0.00 C ATOM 285 O ILE A 19 10.833 -24.981 8.648 1.00 0.00 O ATOM 286 CB ILE A 19 14.194 -24.577 9.057 1.00 0.00 C ATOM 287 CG1 ILE A 19 14.926 -23.540 9.921 1.00 0.00 C ATOM 288 CG2 ILE A 19 13.840 -23.923 7.716 1.00 0.00 C ATOM 289 CD1 ILE A 19 15.433 -24.192 11.210 1.00 0.00 C ATOM 0 H ILE A 19 14.378 -26.113 10.985 1.00 0.00 H new ATOM 0 HA ILE A 19 12.452 -24.299 10.374 1.00 0.00 H new ATOM 0 HB ILE A 19 14.830 -25.442 8.868 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.763 -23.117 9.365 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.254 -22.716 10.161 1.00 0.00 H new ATOM 0 HG21 ILE A 19 14.751 -23.577 7.228 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.340 -24.651 7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.176 -23.076 7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.951 -23.448 11.815 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.589 -24.593 11.771 1.00 0.00 H new ATOM 0 HD13 ILE A 19 16.121 -25.000 10.963 1.00 0.00 H new ATOM 301 N GLU A 20 12.136 -26.650 8.091 1.00 0.00 N ATOM 302 CA GLU A 20 11.150 -27.135 7.077 1.00 0.00 C ATOM 303 C GLU A 20 9.723 -27.120 7.642 1.00 0.00 C ATOM 304 O GLU A 20 8.832 -26.520 7.076 1.00 0.00 O ATOM 305 CB GLU A 20 11.515 -28.560 6.648 1.00 0.00 C ATOM 306 CG GLU A 20 12.733 -28.522 5.720 1.00 0.00 C ATOM 307 CD GLU A 20 13.338 -29.923 5.609 1.00 0.00 C ATOM 308 OE1 GLU A 20 12.578 -30.878 5.616 1.00 0.00 O ATOM 309 OE2 GLU A 20 14.552 -30.017 5.518 1.00 0.00 O ATOM 0 H GLU A 20 12.988 -27.206 8.169 1.00 0.00 H new ATOM 0 HA GLU A 20 11.186 -26.466 6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.732 -29.170 7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.671 -29.024 6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.440 -28.162 4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.476 -27.824 6.106 1.00 0.00 H new ATOM 316 N ARG A 21 9.491 -27.790 8.738 1.00 0.00 N ATOM 317 CA ARG A 21 8.116 -27.832 9.315 1.00 0.00 C ATOM 318 C ARG A 21 7.876 -26.634 10.240 1.00 0.00 C ATOM 319 O ARG A 21 6.749 -26.288 10.536 1.00 0.00 O ATOM 320 CB ARG A 21 7.948 -29.130 10.113 1.00 0.00 C ATOM 321 CG ARG A 21 8.114 -30.347 9.186 1.00 0.00 C ATOM 322 CD ARG A 21 6.786 -30.668 8.487 1.00 0.00 C ATOM 323 NE ARG A 21 6.937 -31.918 7.684 1.00 0.00 N ATOM 324 CZ ARG A 21 7.357 -31.858 6.449 1.00 0.00 C ATOM 325 NH1 ARG A 21 6.560 -32.192 5.472 1.00 0.00 N ATOM 326 NH2 ARG A 21 8.574 -31.460 6.191 1.00 0.00 N ATOM 0 H ARG A 21 10.195 -28.311 9.260 1.00 0.00 H new ATOM 0 HA ARG A 21 7.392 -27.791 8.501 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.685 -29.171 10.915 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.965 -29.152 10.583 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.885 -30.144 8.442 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.447 -31.210 9.763 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.994 -30.791 9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.493 -29.841 7.841 1.00 0.00 H new ATOM 0 HE ARG A 21 6.711 -32.821 8.101 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.609 -32.500 5.673 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.888 -32.145 4.507 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.197 -31.196 6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.902 -31.413 5.226 1.00 0.00 H new ATOM 340 N LEU A 22 8.916 -25.999 10.706 1.00 0.00 N ATOM 341 CA LEU A 22 8.732 -24.829 11.617 1.00 0.00 C ATOM 342 C LEU A 22 8.542 -23.542 10.794 1.00 0.00 C ATOM 343 O LEU A 22 7.688 -22.732 11.086 1.00 0.00 O ATOM 344 CB LEU A 22 9.977 -24.705 12.519 1.00 0.00 C ATOM 345 CG LEU A 22 9.790 -25.532 13.805 1.00 0.00 C ATOM 346 CD1 LEU A 22 9.567 -27.006 13.442 1.00 0.00 C ATOM 347 CD2 LEU A 22 11.030 -25.393 14.728 1.00 0.00 C ATOM 0 H LEU A 22 9.885 -26.238 10.497 1.00 0.00 H new ATOM 0 HA LEU A 22 7.844 -24.976 12.232 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.860 -25.051 11.981 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.148 -23.659 12.773 1.00 0.00 H new ATOM 0 HG LEU A 22 8.919 -25.156 14.341 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.435 -27.589 14.353 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.676 -27.097 12.821 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.431 -27.380 12.894 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.879 -25.984 15.631 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.916 -25.751 14.204 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.167 -24.346 14.998 1.00 0.00 H new ATOM 359 N CYS A 23 9.343 -23.347 9.784 1.00 0.00 N ATOM 360 CA CYS A 23 9.227 -22.106 8.963 1.00 0.00 C ATOM 361 C CYS A 23 8.066 -22.213 7.970 1.00 0.00 C ATOM 362 O CYS A 23 7.616 -21.223 7.429 1.00 0.00 O ATOM 363 CB CYS A 23 10.530 -21.894 8.197 1.00 0.00 C ATOM 364 SG CYS A 23 11.815 -21.316 9.338 1.00 0.00 S ATOM 0 H CYS A 23 10.075 -23.994 9.490 1.00 0.00 H new ATOM 0 HA CYS A 23 9.035 -21.263 9.627 1.00 0.00 H new ATOM 0 HB2 CYS A 23 10.841 -22.825 7.723 1.00 0.00 H new ATOM 0 HB3 CYS A 23 10.381 -21.165 7.400 1.00 0.00 H new ATOM 369 N GLN A 24 7.574 -23.394 7.716 1.00 0.00 N ATOM 370 CA GLN A 24 6.448 -23.528 6.750 1.00 0.00 C ATOM 371 C GLN A 24 5.184 -22.907 7.356 1.00 0.00 C ATOM 372 O GLN A 24 4.214 -22.660 6.668 1.00 0.00 O ATOM 373 CB GLN A 24 6.217 -25.021 6.452 1.00 0.00 C ATOM 374 CG GLN A 24 7.110 -25.469 5.284 1.00 0.00 C ATOM 375 CD GLN A 24 6.491 -25.012 3.961 1.00 0.00 C ATOM 376 OE1 GLN A 24 6.729 -23.908 3.512 1.00 0.00 O ATOM 377 NE2 GLN A 24 5.698 -25.822 3.313 1.00 0.00 N ATOM 0 H GLN A 24 7.900 -24.266 8.132 1.00 0.00 H new ATOM 0 HA GLN A 24 6.687 -23.010 5.821 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.438 -25.616 7.338 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.169 -25.193 6.206 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.109 -25.048 5.394 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.219 -26.554 5.291 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.498 -26.749 3.689 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.279 -25.528 2.431 1.00 0.00 H new ATOM 386 N HIS A 25 5.190 -22.657 8.640 1.00 0.00 N ATOM 387 CA HIS A 25 3.990 -22.054 9.304 1.00 0.00 C ATOM 388 C HIS A 25 4.223 -20.561 9.551 1.00 0.00 C ATOM 389 O HIS A 25 3.312 -19.843 9.913 1.00 0.00 O ATOM 390 CB HIS A 25 3.760 -22.742 10.655 1.00 0.00 C ATOM 391 CG HIS A 25 3.277 -24.150 10.440 1.00 0.00 C ATOM 392 ND1 HIS A 25 3.037 -24.668 9.177 1.00 0.00 N ATOM 393 CD2 HIS A 25 2.982 -25.160 11.323 1.00 0.00 C ATOM 394 CE1 HIS A 25 2.617 -25.938 9.334 1.00 0.00 C ATOM 395 NE2 HIS A 25 2.566 -26.288 10.622 1.00 0.00 N ATOM 0 H HIS A 25 5.977 -22.845 9.262 1.00 0.00 H new ATOM 0 HA HIS A 25 3.123 -22.188 8.657 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.686 -22.750 11.230 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.028 -22.183 11.237 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.061 -25.089 12.398 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.353 -26.594 8.517 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.283 -27.188 11.009 1.00 0.00 H new ATOM 403 N TYR A 26 5.435 -20.087 9.384 1.00 0.00 N ATOM 404 CA TYR A 26 5.729 -18.643 9.638 1.00 0.00 C ATOM 405 C TYR A 26 5.878 -17.873 8.320 1.00 0.00 C ATOM 406 O TYR A 26 5.727 -18.404 7.238 1.00 0.00 O ATOM 407 CB TYR A 26 7.041 -18.539 10.431 1.00 0.00 C ATOM 408 CG TYR A 26 6.784 -18.810 11.901 1.00 0.00 C ATOM 409 CD1 TYR A 26 5.970 -17.944 12.642 1.00 0.00 C ATOM 410 CD2 TYR A 26 7.360 -19.928 12.521 1.00 0.00 C ATOM 411 CE1 TYR A 26 5.732 -18.194 13.999 1.00 0.00 C ATOM 412 CE2 TYR A 26 7.122 -20.178 13.877 1.00 0.00 C ATOM 413 CZ TYR A 26 6.308 -19.311 14.617 1.00 0.00 C ATOM 414 OH TYR A 26 6.073 -19.556 15.954 1.00 0.00 O ATOM 0 H TYR A 26 6.236 -20.642 9.081 1.00 0.00 H new ATOM 0 HA TYR A 26 4.902 -18.209 10.200 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.767 -19.253 10.043 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.473 -17.546 10.306 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.525 -17.082 12.166 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.988 -20.597 11.951 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.104 -17.525 14.569 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.566 -21.040 14.353 1.00 0.00 H new ATOM 0 HH TYR A 26 6.546 -20.371 16.225 1.00 0.00 H new ATOM 424 N ILE A 27 6.171 -16.606 8.439 1.00 0.00 N ATOM 425 CA ILE A 27 6.339 -15.736 7.240 1.00 0.00 C ATOM 426 C ILE A 27 7.802 -15.780 6.784 1.00 0.00 C ATOM 427 O ILE A 27 8.681 -16.143 7.540 1.00 0.00 O ATOM 428 CB ILE A 27 5.950 -14.299 7.606 1.00 0.00 C ATOM 429 CG1 ILE A 27 4.430 -14.212 7.799 1.00 0.00 C ATOM 430 CG2 ILE A 27 6.373 -13.341 6.487 1.00 0.00 C ATOM 431 CD1 ILE A 27 3.992 -15.091 8.980 1.00 0.00 C ATOM 0 H ILE A 27 6.303 -16.130 9.331 1.00 0.00 H new ATOM 0 HA ILE A 27 5.700 -16.089 6.430 1.00 0.00 H new ATOM 0 HB ILE A 27 6.455 -14.019 8.530 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.138 -13.177 7.979 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.922 -14.533 6.890 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.093 -12.322 6.755 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.453 -13.396 6.350 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.874 -13.622 5.559 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.912 -15.020 9.106 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.267 -16.127 8.784 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.486 -14.751 9.890 1.00 0.00 H new ATOM 443 N GLY A 28 8.051 -15.437 5.539 1.00 0.00 N ATOM 444 CA GLY A 28 9.444 -15.470 4.981 1.00 0.00 C ATOM 445 C GLY A 28 10.471 -15.101 6.057 1.00 0.00 C ATOM 446 O GLY A 28 11.488 -15.749 6.201 1.00 0.00 O ATOM 0 H GLY A 28 7.337 -15.131 4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.661 -16.465 4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.522 -14.776 4.144 1.00 0.00 H new ATOM 450 N TRP A 29 10.207 -14.081 6.821 1.00 0.00 N ATOM 451 CA TRP A 29 11.164 -13.695 7.893 1.00 0.00 C ATOM 452 C TRP A 29 11.142 -14.771 8.984 1.00 0.00 C ATOM 453 O TRP A 29 10.483 -14.627 9.994 1.00 0.00 O ATOM 454 CB TRP A 29 10.744 -12.347 8.487 1.00 0.00 C ATOM 455 CG TRP A 29 11.603 -12.027 9.669 1.00 0.00 C ATOM 456 CD1 TRP A 29 12.932 -11.790 9.617 1.00 0.00 C ATOM 457 CD2 TRP A 29 11.221 -11.908 11.071 1.00 0.00 C ATOM 458 NE1 TRP A 29 13.393 -11.534 10.895 1.00 0.00 N ATOM 459 CE2 TRP A 29 12.375 -11.594 11.829 1.00 0.00 C ATOM 460 CE3 TRP A 29 9.996 -12.039 11.751 1.00 0.00 C ATOM 461 CZ2 TRP A 29 12.316 -11.418 13.212 1.00 0.00 C ATOM 462 CZ3 TRP A 29 9.934 -11.864 13.143 1.00 0.00 C ATOM 463 CH2 TRP A 29 11.090 -11.553 13.871 1.00 0.00 C ATOM 0 H TRP A 29 9.372 -13.499 6.751 1.00 0.00 H new ATOM 0 HA TRP A 29 12.170 -13.607 7.483 1.00 0.00 H new ATOM 0 HB2 TRP A 29 10.836 -11.563 7.735 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.696 -12.381 8.785 1.00 0.00 H new ATOM 0 HD1 TRP A 29 13.536 -11.799 8.722 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.366 -11.326 11.121 1.00 0.00 H new ATOM 0 HE3 TRP A 29 9.098 -12.276 11.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 13.210 -11.179 13.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.989 -11.970 13.656 1.00 0.00 H new ATOM 0 HH2 TRP A 29 11.034 -11.418 14.941 1.00 0.00 H new ATOM 474 N CYS A 30 11.851 -15.853 8.785 1.00 0.00 N ATOM 475 CA CYS A 30 11.869 -16.950 9.802 1.00 0.00 C ATOM 476 C CYS A 30 13.152 -16.826 10.655 1.00 0.00 C ATOM 477 O CYS A 30 14.227 -17.127 10.177 1.00 0.00 O ATOM 478 CB CYS A 30 11.869 -18.297 9.053 1.00 0.00 C ATOM 479 SG CYS A 30 11.098 -19.575 10.079 1.00 0.00 S ATOM 0 H CYS A 30 12.422 -16.025 7.957 1.00 0.00 H new ATOM 0 HA CYS A 30 10.999 -16.886 10.455 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.328 -18.199 8.112 1.00 0.00 H new ATOM 0 HB3 CYS A 30 12.891 -18.585 8.805 1.00 0.00 H new ATOM 484 N PRO A 31 13.069 -16.383 11.899 1.00 0.00 N ATOM 485 CA PRO A 31 14.283 -16.238 12.757 1.00 0.00 C ATOM 486 C PRO A 31 14.781 -17.599 13.253 1.00 0.00 C ATOM 487 O PRO A 31 15.307 -17.726 14.341 1.00 0.00 O ATOM 488 CB PRO A 31 13.813 -15.359 13.925 1.00 0.00 C ATOM 489 CG PRO A 31 12.334 -15.586 14.024 1.00 0.00 C ATOM 490 CD PRO A 31 11.842 -15.981 12.619 1.00 0.00 C ATOM 0 HA PRO A 31 15.123 -15.801 12.217 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.316 -15.635 14.852 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.038 -14.308 13.741 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.112 -16.373 14.745 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.828 -14.685 14.370 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.123 -16.799 12.665 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.345 -15.147 12.123 1.00 0.00 H new ATOM 498 N PHE A 32 14.615 -18.613 12.450 1.00 0.00 N ATOM 499 CA PHE A 32 15.068 -19.978 12.844 1.00 0.00 C ATOM 500 C PHE A 32 16.426 -20.260 12.200 1.00 0.00 C ATOM 501 O PHE A 32 17.307 -20.833 12.810 1.00 0.00 O ATOM 502 CB PHE A 32 14.044 -21.003 12.357 1.00 0.00 C ATOM 503 CG PHE A 32 12.806 -20.926 13.222 1.00 0.00 C ATOM 504 CD1 PHE A 32 11.966 -19.809 13.140 1.00 0.00 C ATOM 505 CD2 PHE A 32 12.499 -21.969 14.105 1.00 0.00 C ATOM 506 CE1 PHE A 32 10.818 -19.735 13.939 1.00 0.00 C ATOM 507 CE2 PHE A 32 11.352 -21.893 14.905 1.00 0.00 C ATOM 508 CZ PHE A 32 10.512 -20.777 14.821 1.00 0.00 C ATOM 0 H PHE A 32 14.181 -18.554 11.529 1.00 0.00 H new ATOM 0 HA PHE A 32 15.160 -20.043 13.928 1.00 0.00 H new ATOM 0 HB2 PHE A 32 13.786 -20.809 11.316 1.00 0.00 H new ATOM 0 HB3 PHE A 32 14.469 -22.006 12.399 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.203 -19.004 12.460 1.00 0.00 H new ATOM 0 HD2 PHE A 32 13.146 -22.831 14.169 1.00 0.00 H new ATOM 0 HE1 PHE A 32 10.169 -18.874 13.874 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.116 -22.696 15.587 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.627 -20.720 15.437 1.00 0.00 H new ATOM 518 N TRP A 33 16.603 -19.858 10.971 1.00 0.00 N ATOM 519 CA TRP A 33 17.907 -20.098 10.291 1.00 0.00 C ATOM 520 C TRP A 33 19.044 -19.600 11.187 1.00 0.00 C ATOM 521 O TRP A 33 19.195 -18.394 11.302 1.00 0.00 O ATOM 522 CB TRP A 33 17.940 -19.341 8.962 1.00 0.00 C ATOM 523 CG TRP A 33 16.975 -19.953 7.994 1.00 0.00 C ATOM 524 CD1 TRP A 33 16.950 -21.258 7.637 1.00 0.00 C ATOM 525 CD2 TRP A 33 15.903 -19.305 7.248 1.00 0.00 C ATOM 526 NE1 TRP A 33 15.925 -21.452 6.729 1.00 0.00 N ATOM 527 CE2 TRP A 33 15.252 -20.280 6.456 1.00 0.00 C ATOM 528 CE3 TRP A 33 15.435 -17.980 7.185 1.00 0.00 C ATOM 529 CZ2 TRP A 33 14.176 -19.953 5.632 1.00 0.00 C ATOM 530 CZ3 TRP A 33 14.352 -17.648 6.355 1.00 0.00 C ATOM 531 CH2 TRP A 33 13.724 -18.633 5.580 1.00 0.00 C ATOM 532 OXT TRP A 33 19.743 -20.431 11.741 1.00 0.00 O ATOM 0 H TRP A 33 15.902 -19.375 10.409 1.00 0.00 H new ATOM 0 HA TRP A 33 18.028 -21.165 10.103 1.00 0.00 H new ATOM 0 HB2 TRP A 33 17.687 -18.293 9.125 1.00 0.00 H new ATOM 0 HB3 TRP A 33 18.947 -19.365 8.547 1.00 0.00 H new ATOM 0 HD1 TRP A 33 17.620 -22.022 8.001 1.00 0.00 H new ATOM 0 HE1 TRP A 33 15.695 -22.354 6.311 1.00 0.00 H new ATOM 0 HE3 TRP A 33 15.911 -17.214 7.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 13.695 -20.716 5.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 14.001 -16.628 6.313 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.892 -18.371 4.944 1.00 0.00 H new TER 543 TRP A 33