USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 270 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 14 HIS : no HE2:sc= -10.2! C(o=-10!,f=-9!) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0.0983 (180deg=0.0983) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -1.56! C(o=-1.6!,f=-4.4!) USER MOD Single : A 15 GLN : amide:sc= -10.5! C(o=-10!,f=-9.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 166:sc= 1.17 USER MOD Single : A 27 ASN : amide:sc= -0.614 K(o=-0.61,f=-3.3!) USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.117) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -28.529 -1.795 0.116 1.00 0.00 N ATOM 2 CA ASP A 1 -28.499 -3.036 -0.639 1.00 0.00 C ATOM 3 C ASP A 1 -27.155 -3.156 -1.360 1.00 0.00 C ATOM 4 O ASP A 1 -26.870 -4.179 -1.983 1.00 0.00 O ATOM 5 CB ASP A 1 -29.606 -3.066 -1.695 1.00 0.00 C ATOM 6 CG ASP A 1 -31.028 -2.940 -1.144 1.00 0.00 C ATOM 7 OD1 ASP A 1 -31.149 -2.817 0.094 1.00 0.00 O ATOM 8 OD2 ASP A 1 -31.963 -2.968 -1.974 1.00 0.00 O ATOM 0 H1 ASP A 1 -29.441 -1.710 0.608 1.00 0.00 H new ATOM 0 H2 ASP A 1 -27.758 -1.795 0.814 1.00 0.00 H new ATOM 0 H3 ASP A 1 -28.409 -0.991 -0.533 1.00 0.00 H new ATOM 0 HA ASP A 1 -28.645 -3.859 0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -29.434 -2.256 -2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -29.530 -3.999 -2.253 1.00 0.00 H new ATOM 12 N ALA A 2 -26.364 -2.099 -1.253 1.00 0.00 N ATOM 13 CA ALA A 2 -25.057 -2.074 -1.886 1.00 0.00 C ATOM 14 C ALA A 2 -25.225 -1.773 -3.378 1.00 0.00 C ATOM 15 O ALA A 2 -25.844 -2.548 -4.105 1.00 0.00 O ATOM 16 CB ALA A 2 -24.342 -3.403 -1.636 1.00 0.00 C ATOM 0 H ALA A 2 -26.604 -1.253 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 2 -24.437 -1.286 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -23.361 -3.384 -2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -24.222 -3.556 -0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -24.932 -4.218 -2.055 1.00 0.00 H new ATOM 22 N GLU A 3 -24.660 -0.646 -3.788 1.00 0.00 N ATOM 23 CA GLU A 3 -24.740 -0.234 -5.179 1.00 0.00 C ATOM 24 C GLU A 3 -23.395 0.333 -5.642 1.00 0.00 C ATOM 25 O GLU A 3 -23.306 0.931 -6.712 1.00 0.00 O ATOM 26 CB GLU A 3 -25.863 0.782 -5.387 1.00 0.00 C ATOM 27 CG GLU A 3 -26.953 0.216 -6.301 1.00 0.00 C ATOM 28 CD GLU A 3 -28.190 -0.185 -5.494 1.00 0.00 C ATOM 29 OE1 GLU A 3 -28.441 0.483 -4.469 1.00 0.00 O ATOM 30 OE2 GLU A 3 -28.857 -1.153 -5.922 1.00 0.00 O ATOM 0 H GLU A 3 -24.146 -0.007 -3.182 1.00 0.00 H new ATOM 0 HA GLU A 3 -24.972 -1.110 -5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -26.296 1.053 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -25.456 1.695 -5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -27.228 0.959 -7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -26.568 -0.651 -6.839 1.00 0.00 H new ATOM 35 N PHE A 4 -22.385 0.124 -4.810 1.00 0.00 N ATOM 36 CA PHE A 4 -21.050 0.607 -5.121 1.00 0.00 C ATOM 37 C PHE A 4 -20.981 2.132 -5.021 1.00 0.00 C ATOM 38 O PHE A 4 -19.940 2.690 -4.679 1.00 0.00 O ATOM 39 CB PHE A 4 -20.746 0.188 -6.561 1.00 0.00 C ATOM 40 CG PHE A 4 -19.635 -0.859 -6.683 1.00 0.00 C ATOM 41 CD1 PHE A 4 -19.463 -1.783 -5.701 1.00 0.00 C ATOM 42 CD2 PHE A 4 -18.823 -0.864 -7.773 1.00 0.00 C ATOM 43 CE1 PHE A 4 -18.433 -2.755 -5.813 1.00 0.00 C ATOM 44 CE2 PHE A 4 -17.794 -1.834 -7.886 1.00 0.00 C ATOM 45 CZ PHE A 4 -17.619 -2.760 -6.905 1.00 0.00 C ATOM 0 H PHE A 4 -22.464 -0.372 -3.922 1.00 0.00 H new ATOM 0 HA PHE A 4 -20.331 0.191 -4.416 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -21.655 -0.208 -7.013 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -20.463 1.071 -7.134 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -20.109 -1.778 -4.836 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -18.961 -0.130 -8.553 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -18.296 -3.489 -5.033 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -17.149 -1.837 -8.752 1.00 0.00 H new ATOM 0 HZ PHE A 4 -16.836 -3.498 -6.992 1.00 0.00 H new ATOM 54 N ARG A 5 -22.105 2.765 -5.329 1.00 0.00 N ATOM 55 CA ARG A 5 -22.185 4.214 -5.279 1.00 0.00 C ATOM 56 C ARG A 5 -21.407 4.748 -4.074 1.00 0.00 C ATOM 57 O ARG A 5 -20.720 5.764 -4.174 1.00 0.00 O ATOM 58 CB ARG A 5 -23.639 4.682 -5.185 1.00 0.00 C ATOM 59 CG ARG A 5 -24.074 4.831 -3.726 1.00 0.00 C ATOM 60 CD ARG A 5 -25.557 5.196 -3.630 1.00 0.00 C ATOM 61 NE ARG A 5 -25.877 6.274 -4.594 1.00 0.00 N ATOM 62 CZ ARG A 5 -25.528 7.557 -4.428 1.00 0.00 C ATOM 63 NH1 ARG A 5 -24.848 7.931 -3.336 1.00 0.00 N ATOM 64 NH2 ARG A 5 -25.860 8.466 -5.355 1.00 0.00 N ATOM 0 H ARG A 5 -22.967 2.300 -5.614 1.00 0.00 H new ATOM 0 HA ARG A 5 -21.748 4.602 -6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -23.752 5.635 -5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -24.288 3.967 -5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -23.890 3.899 -3.191 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -23.474 5.601 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -26.170 4.319 -3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -25.795 5.520 -2.617 1.00 0.00 H new ATOM 0 HE ARG A 5 -26.395 6.024 -5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -24.596 7.239 -2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -24.583 8.908 -3.210 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -26.378 8.181 -6.186 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -25.595 9.443 -5.229 1.00 0.00 H new ATOM 75 N HIS A 6 -21.540 4.039 -2.962 1.00 0.00 N ATOM 76 CA HIS A 6 -20.859 4.428 -1.739 1.00 0.00 C ATOM 77 C HIS A 6 -19.387 4.015 -1.819 1.00 0.00 C ATOM 78 O HIS A 6 -18.511 4.857 -2.011 1.00 0.00 O ATOM 79 CB HIS A 6 -21.570 3.854 -0.513 1.00 0.00 C ATOM 80 CG HIS A 6 -21.418 4.692 0.732 1.00 0.00 C ATOM 81 ND1 HIS A 6 -20.379 4.519 1.631 1.00 0.00 N ATOM 82 CD2 HIS A 6 -22.183 5.710 1.222 1.00 0.00 C ATOM 83 CE1 HIS A 6 -20.522 5.399 2.611 1.00 0.00 C ATOM 84 NE2 HIS A 6 -21.642 6.135 2.356 1.00 0.00 N ATOM 0 H HIS A 6 -22.110 3.197 -2.883 1.00 0.00 H new ATOM 0 HA HIS A 6 -20.892 5.512 -1.629 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -22.631 3.746 -0.738 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -21.182 2.855 -0.316 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -23.078 6.103 0.764 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -19.867 5.514 3.462 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -22.004 6.888 2.941 1.00 0.00 H new ATOM 92 N ASP A 7 -19.161 2.718 -1.666 1.00 0.00 N ATOM 93 CA ASP A 7 -17.811 2.183 -1.718 1.00 0.00 C ATOM 94 C ASP A 7 -17.026 2.896 -2.820 1.00 0.00 C ATOM 95 O ASP A 7 -16.006 3.528 -2.551 1.00 0.00 O ATOM 96 CB ASP A 7 -17.825 0.687 -2.039 1.00 0.00 C ATOM 97 CG ASP A 7 -18.942 -0.110 -1.365 1.00 0.00 C ATOM 98 OD1 ASP A 7 -19.361 0.318 -0.267 1.00 0.00 O ATOM 99 OD2 ASP A 7 -19.351 -1.130 -1.958 1.00 0.00 O ATOM 0 H ASP A 7 -19.890 2.023 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 7 -17.348 2.339 -0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -17.912 0.564 -3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -16.866 0.259 -1.746 1.00 0.00 H new ATOM 103 N SER A 8 -17.532 2.772 -4.039 1.00 0.00 N ATOM 104 CA SER A 8 -16.890 3.398 -5.182 1.00 0.00 C ATOM 105 C SER A 8 -16.488 4.832 -4.837 1.00 0.00 C ATOM 106 O SER A 8 -15.360 5.245 -5.101 1.00 0.00 O ATOM 107 CB SER A 8 -17.810 3.383 -6.405 1.00 0.00 C ATOM 108 OG SER A 8 -17.179 3.943 -7.554 1.00 0.00 O ATOM 0 H SER A 8 -18.379 2.248 -4.259 1.00 0.00 H new ATOM 0 HA SER A 8 -15.994 2.827 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 8 -18.111 2.358 -6.620 1.00 0.00 H new ATOM 0 HB3 SER A 8 -18.719 3.942 -6.182 1.00 0.00 H new ATOM 0 HG SER A 8 -17.797 3.914 -8.314 1.00 0.00 H new ATOM 113 N GLY A 9 -17.434 5.553 -4.253 1.00 0.00 N ATOM 114 CA GLY A 9 -17.192 6.934 -3.868 1.00 0.00 C ATOM 115 C GLY A 9 -15.790 7.101 -3.277 1.00 0.00 C ATOM 116 O GLY A 9 -15.218 8.189 -3.326 1.00 0.00 O ATOM 0 H GLY A 9 -18.369 5.207 -4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -17.304 7.582 -4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -17.938 7.248 -3.138 1.00 0.00 H new ATOM 120 N TYR A 10 -15.281 6.009 -2.730 1.00 0.00 N ATOM 121 CA TYR A 10 -13.957 6.020 -2.129 1.00 0.00 C ATOM 122 C TYR A 10 -12.907 5.484 -3.105 1.00 0.00 C ATOM 123 O TYR A 10 -11.980 6.200 -3.481 1.00 0.00 O ATOM 124 CB TYR A 10 -14.034 5.088 -0.920 1.00 0.00 C ATOM 125 CG TYR A 10 -12.928 4.032 -0.875 1.00 0.00 C ATOM 126 CD1 TYR A 10 -11.695 4.347 -0.342 1.00 0.00 C ATOM 127 CD2 TYR A 10 -13.164 2.763 -1.367 1.00 0.00 C ATOM 128 CE1 TYR A 10 -10.653 3.354 -0.301 1.00 0.00 C ATOM 129 CE2 TYR A 10 -12.122 1.771 -1.326 1.00 0.00 C ATOM 130 CZ TYR A 10 -10.918 2.115 -0.794 1.00 0.00 C ATOM 131 OH TYR A 10 -9.935 1.176 -0.754 1.00 0.00 O ATOM 0 H TYR A 10 -15.760 5.110 -2.690 1.00 0.00 H new ATOM 0 HA TYR A 10 -13.669 7.035 -1.856 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.988 5.686 -0.010 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -15.001 4.586 -0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -11.511 5.339 0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.130 2.515 -1.782 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.683 3.588 0.112 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -12.292 0.776 -1.709 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.267 0.338 -1.139 1.00 0.00 H new ATOM 140 N GLU A 11 -13.087 4.228 -3.487 1.00 0.00 N ATOM 141 CA GLU A 11 -12.168 3.587 -4.412 1.00 0.00 C ATOM 142 C GLU A 11 -11.822 4.537 -5.560 1.00 0.00 C ATOM 143 O GLU A 11 -10.680 4.979 -5.681 1.00 0.00 O ATOM 144 CB GLU A 11 -12.749 2.274 -4.943 1.00 0.00 C ATOM 145 CG GLU A 11 -11.636 1.308 -5.353 1.00 0.00 C ATOM 146 CD GLU A 11 -12.112 -0.143 -5.273 1.00 0.00 C ATOM 147 OE1 GLU A 11 -12.766 -0.579 -6.244 1.00 0.00 O ATOM 148 OE2 GLU A 11 -11.810 -0.782 -4.242 1.00 0.00 O ATOM 0 H GLU A 11 -13.856 3.637 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.250 3.348 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.372 1.812 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.393 2.477 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.311 1.532 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.772 1.447 -4.704 1.00 0.00 H new ATOM 153 N VAL A 12 -12.828 4.824 -6.372 1.00 0.00 N ATOM 154 CA VAL A 12 -12.643 5.714 -7.506 1.00 0.00 C ATOM 155 C VAL A 12 -11.993 7.013 -7.029 1.00 0.00 C ATOM 156 O VAL A 12 -11.391 7.738 -7.821 1.00 0.00 O ATOM 157 CB VAL A 12 -13.980 5.940 -8.215 1.00 0.00 C ATOM 158 CG1 VAL A 12 -14.987 6.621 -7.286 1.00 0.00 C ATOM 159 CG2 VAL A 12 -13.789 6.748 -9.501 1.00 0.00 C ATOM 0 H VAL A 12 -13.774 4.456 -6.268 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.972 5.266 -8.239 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.382 4.964 -8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.928 6.769 -7.816 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.158 5.993 -6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.594 7.586 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.754 6.894 -9.985 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.353 7.718 -9.260 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.123 6.208 -10.174 1.00 0.00 H new ATOM 169 N HIS A 13 -12.133 7.268 -5.737 1.00 0.00 N ATOM 170 CA HIS A 13 -11.567 8.468 -5.144 1.00 0.00 C ATOM 171 C HIS A 13 -10.113 8.204 -4.743 1.00 0.00 C ATOM 172 O HIS A 13 -9.193 8.783 -5.319 1.00 0.00 O ATOM 173 CB HIS A 13 -12.425 8.955 -3.975 1.00 0.00 C ATOM 174 CG HIS A 13 -13.235 10.192 -4.283 1.00 0.00 C ATOM 175 ND1 HIS A 13 -14.387 10.526 -3.590 1.00 0.00 N ATOM 176 CD2 HIS A 13 -13.050 11.171 -5.214 1.00 0.00 C ATOM 177 CE1 HIS A 13 -14.863 11.657 -4.091 1.00 0.00 C ATOM 178 NE2 HIS A 13 -14.033 12.054 -5.097 1.00 0.00 N ATOM 0 H HIS A 13 -12.631 6.664 -5.083 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.566 9.274 -5.877 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.102 8.155 -3.676 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.777 9.160 -3.123 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -14.799 9.992 -2.824 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -12.240 11.219 -5.926 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -15.752 12.173 -3.760 1.00 0.00 H new ATOM 186 N HIS A 14 -9.954 7.333 -3.758 1.00 0.00 N ATOM 187 CA HIS A 14 -8.630 6.986 -3.273 1.00 0.00 C ATOM 188 C HIS A 14 -7.591 7.285 -4.357 1.00 0.00 C ATOM 189 O HIS A 14 -6.608 7.980 -4.105 1.00 0.00 O ATOM 190 CB HIS A 14 -8.588 5.533 -2.798 1.00 0.00 C ATOM 191 CG HIS A 14 -7.728 5.310 -1.577 1.00 0.00 C ATOM 192 ND1 HIS A 14 -7.694 4.108 -0.893 1.00 0.00 N ATOM 193 CD2 HIS A 14 -6.871 6.148 -0.926 1.00 0.00 C ATOM 194 CE1 HIS A 14 -6.851 4.227 0.123 1.00 0.00 C ATOM 195 NE2 HIS A 14 -6.342 5.493 0.101 1.00 0.00 N ATOM 0 H HIS A 14 -10.721 6.857 -3.283 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.386 7.598 -2.405 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.604 5.204 -2.579 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.218 4.907 -3.610 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.227 3.272 -1.130 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.659 7.171 -1.199 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.610 3.458 0.842 1.00 0.00 H new ATOM 203 N GLN A 15 -7.846 6.747 -5.540 1.00 0.00 N ATOM 204 CA GLN A 15 -6.947 6.947 -6.663 1.00 0.00 C ATOM 205 C GLN A 15 -6.520 8.415 -6.746 1.00 0.00 C ATOM 206 O GLN A 15 -5.516 8.738 -7.378 1.00 0.00 O ATOM 207 CB GLN A 15 -7.593 6.490 -7.971 1.00 0.00 C ATOM 208 CG GLN A 15 -6.777 6.958 -9.179 1.00 0.00 C ATOM 209 CD GLN A 15 -6.447 5.785 -10.105 1.00 0.00 C ATOM 210 OE1 GLN A 15 -5.409 5.738 -10.745 1.00 0.00 O ATOM 211 NE2 GLN A 15 -7.385 4.843 -10.141 1.00 0.00 N ATOM 0 H GLN A 15 -8.663 6.172 -5.745 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.057 6.338 -6.504 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.673 5.403 -7.981 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.607 6.885 -8.037 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.336 7.714 -9.729 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.854 7.428 -8.839 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.231 4.944 -9.580 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.258 4.019 -10.729 1.00 0.00 H new ATOM 218 N LYS A 16 -7.303 9.263 -6.097 1.00 0.00 N ATOM 219 CA LYS A 16 -7.019 10.688 -6.089 1.00 0.00 C ATOM 220 C LYS A 16 -5.510 10.903 -6.226 1.00 0.00 C ATOM 221 O LYS A 16 -5.065 11.699 -7.050 1.00 0.00 O ATOM 222 CB LYS A 16 -7.624 11.349 -4.849 1.00 0.00 C ATOM 223 CG LYS A 16 -7.604 12.873 -4.975 1.00 0.00 C ATOM 224 CD LYS A 16 -7.733 13.304 -6.436 1.00 0.00 C ATOM 225 CE LYS A 16 -9.106 12.930 -6.999 1.00 0.00 C ATOM 226 NZ LYS A 16 -9.672 14.055 -7.776 1.00 0.00 N ATOM 0 H LYS A 16 -8.134 8.991 -5.573 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.490 11.175 -6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.649 11.005 -4.713 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.066 11.047 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.420 13.300 -4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.676 13.264 -4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.584 14.381 -6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.951 12.830 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.017 12.049 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.781 12.668 -6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.604 13.784 -8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.775 14.886 -7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.036 14.287 -8.565 1.00 0.00 H new ATOM 236 N LEU A 17 -4.765 10.179 -5.404 1.00 0.00 N ATOM 237 CA LEU A 17 -3.315 10.281 -5.423 1.00 0.00 C ATOM 238 C LEU A 17 -2.708 8.891 -5.218 1.00 0.00 C ATOM 239 O LEU A 17 -1.540 8.668 -5.535 1.00 0.00 O ATOM 240 CB LEU A 17 -2.837 11.316 -4.403 1.00 0.00 C ATOM 241 CG LEU A 17 -2.447 12.685 -4.968 1.00 0.00 C ATOM 242 CD1 LEU A 17 -2.586 13.775 -3.906 1.00 0.00 C ATOM 243 CD2 LEU A 17 -1.043 12.648 -5.573 1.00 0.00 C ATOM 0 H LEU A 17 -5.138 9.520 -4.721 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.971 10.641 -6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.626 11.461 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.977 10.905 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.138 12.932 -5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.303 14.737 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.620 13.820 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.934 13.547 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.791 13.632 -5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.323 12.369 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.014 11.916 -6.380 1.00 0.00 H new ATOM 254 N VAL A 18 -3.528 7.995 -4.692 1.00 0.00 N ATOM 255 CA VAL A 18 -3.086 6.633 -4.441 1.00 0.00 C ATOM 256 C VAL A 18 -2.331 6.113 -5.666 1.00 0.00 C ATOM 257 O VAL A 18 -1.128 5.863 -5.599 1.00 0.00 O ATOM 258 CB VAL A 18 -4.281 5.757 -4.059 1.00 0.00 C ATOM 259 CG1 VAL A 18 -3.826 4.348 -3.675 1.00 0.00 C ATOM 260 CG2 VAL A 18 -5.093 6.398 -2.933 1.00 0.00 C ATOM 0 H VAL A 18 -4.496 8.184 -4.432 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.396 6.604 -3.597 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.929 5.674 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.694 3.745 -3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.312 3.889 -4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.147 4.404 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.936 5.755 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.460 6.527 -2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.463 7.370 -3.259 1.00 0.00 H new ATOM 270 N PHE A 19 -3.068 5.964 -6.757 1.00 0.00 N ATOM 271 CA PHE A 19 -2.484 5.479 -7.996 1.00 0.00 C ATOM 272 C PHE A 19 -1.165 6.196 -8.299 1.00 0.00 C ATOM 273 O PHE A 19 -0.378 5.733 -9.121 1.00 0.00 O ATOM 274 CB PHE A 19 -3.484 5.783 -9.112 1.00 0.00 C ATOM 275 CG PHE A 19 -3.477 7.242 -9.573 1.00 0.00 C ATOM 276 CD1 PHE A 19 -3.384 8.244 -8.657 1.00 0.00 C ATOM 277 CD2 PHE A 19 -3.567 7.538 -10.897 1.00 0.00 C ATOM 278 CE1 PHE A 19 -3.378 9.598 -9.085 1.00 0.00 C ATOM 279 CE2 PHE A 19 -3.562 8.892 -11.325 1.00 0.00 C ATOM 280 CZ PHE A 19 -3.467 9.894 -10.410 1.00 0.00 C ATOM 0 H PHE A 19 -4.065 6.171 -6.809 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.276 4.412 -7.916 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.266 5.142 -9.966 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.486 5.526 -8.768 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.315 8.010 -7.605 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.642 6.743 -11.624 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.303 10.393 -8.358 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.634 9.126 -12.377 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.462 10.924 -10.735 1.00 0.00 H new ATOM 289 N PHE A 20 -0.968 7.314 -7.616 1.00 0.00 N ATOM 290 CA PHE A 20 0.241 8.100 -7.801 1.00 0.00 C ATOM 291 C PHE A 20 1.251 7.822 -6.687 1.00 0.00 C ATOM 292 O PHE A 20 2.286 7.200 -6.924 1.00 0.00 O ATOM 293 CB PHE A 20 -0.171 9.573 -7.745 1.00 0.00 C ATOM 294 CG PHE A 20 0.499 10.447 -8.807 1.00 0.00 C ATOM 295 CD1 PHE A 20 1.766 10.171 -9.215 1.00 0.00 C ATOM 296 CD2 PHE A 20 -0.175 11.498 -9.345 1.00 0.00 C ATOM 297 CE1 PHE A 20 2.388 10.981 -10.201 1.00 0.00 C ATOM 298 CE2 PHE A 20 0.446 12.309 -10.333 1.00 0.00 C ATOM 299 CZ PHE A 20 1.714 12.034 -10.738 1.00 0.00 C ATOM 0 H PHE A 20 -1.624 7.694 -6.934 1.00 0.00 H new ATOM 0 HA PHE A 20 0.710 7.844 -8.751 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.253 9.642 -7.862 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.069 9.970 -6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.300 9.335 -8.789 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.182 11.716 -9.022 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.395 10.762 -10.524 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.089 13.143 -10.762 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.187 12.652 -11.487 1.00 0.00 H new ATOM 308 N ALA A 21 0.916 8.296 -5.496 1.00 0.00 N ATOM 309 CA ALA A 21 1.782 8.105 -4.344 1.00 0.00 C ATOM 310 C ALA A 21 2.030 6.610 -4.138 1.00 0.00 C ATOM 311 O ALA A 21 3.027 6.220 -3.535 1.00 0.00 O ATOM 312 CB ALA A 21 1.152 8.767 -3.118 1.00 0.00 C ATOM 0 H ALA A 21 0.057 8.812 -5.303 1.00 0.00 H new ATOM 0 HA ALA A 21 2.750 8.578 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.801 8.624 -2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.026 9.833 -3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.180 8.316 -2.920 1.00 0.00 H new ATOM 318 N GLU A 22 1.104 5.814 -4.653 1.00 0.00 N ATOM 319 CA GLU A 22 1.209 4.370 -4.533 1.00 0.00 C ATOM 320 C GLU A 22 2.189 3.821 -5.571 1.00 0.00 C ATOM 321 O GLU A 22 2.870 2.827 -5.324 1.00 0.00 O ATOM 322 CB GLU A 22 -0.163 3.706 -4.670 1.00 0.00 C ATOM 323 CG GLU A 22 -0.187 2.346 -3.972 1.00 0.00 C ATOM 324 CD GLU A 22 0.901 1.426 -4.529 1.00 0.00 C ATOM 325 OE1 GLU A 22 1.019 1.371 -5.771 1.00 0.00 O ATOM 326 OE2 GLU A 22 1.592 0.797 -3.697 1.00 0.00 O ATOM 0 H GLU A 22 0.278 6.142 -5.154 1.00 0.00 H new ATOM 0 HA GLU A 22 1.592 4.135 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.928 4.353 -4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.407 3.581 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.041 2.480 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.164 1.882 -4.105 1.00 0.00 H new ATOM 331 N ASP A 23 2.229 4.493 -6.713 1.00 0.00 N ATOM 332 CA ASP A 23 3.115 4.084 -7.790 1.00 0.00 C ATOM 333 C ASP A 23 4.550 4.487 -7.445 1.00 0.00 C ATOM 334 O ASP A 23 5.501 3.821 -7.854 1.00 0.00 O ATOM 335 CB ASP A 23 2.735 4.769 -9.105 1.00 0.00 C ATOM 336 CG ASP A 23 2.882 3.897 -10.354 1.00 0.00 C ATOM 337 OD1 ASP A 23 1.931 3.134 -10.629 1.00 0.00 O ATOM 338 OD2 ASP A 23 3.943 4.012 -11.005 1.00 0.00 O ATOM 0 H ASP A 23 1.663 5.317 -6.915 1.00 0.00 H new ATOM 0 HA ASP A 23 3.028 3.004 -7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.701 5.107 -9.036 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.354 5.658 -9.226 1.00 0.00 H new ATOM 342 N VAL A 24 4.662 5.574 -6.697 1.00 0.00 N ATOM 343 CA VAL A 24 5.965 6.075 -6.293 1.00 0.00 C ATOM 344 C VAL A 24 6.243 5.652 -4.849 1.00 0.00 C ATOM 345 O VAL A 24 7.158 4.869 -4.592 1.00 0.00 O ATOM 346 CB VAL A 24 6.031 7.590 -6.495 1.00 0.00 C ATOM 347 CG1 VAL A 24 6.983 7.949 -7.637 1.00 0.00 C ATOM 348 CG2 VAL A 24 4.637 8.171 -6.740 1.00 0.00 C ATOM 0 H VAL A 24 3.871 6.123 -6.360 1.00 0.00 H new ATOM 0 HA VAL A 24 6.749 5.644 -6.916 1.00 0.00 H new ATOM 0 HB VAL A 24 6.423 8.034 -5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.012 9.032 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.983 7.583 -7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.633 7.488 -8.561 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.712 9.249 -6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.206 7.718 -7.633 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.999 7.960 -5.882 1.00 0.00 H new ATOM 358 N GLY A 25 5.439 6.188 -3.944 1.00 0.00 N ATOM 359 CA GLY A 25 5.586 5.875 -2.532 1.00 0.00 C ATOM 360 C GLY A 25 6.091 4.445 -2.336 1.00 0.00 C ATOM 361 O GLY A 25 6.866 4.178 -1.421 1.00 0.00 O ATOM 0 H GLY A 25 4.683 6.838 -4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.282 6.576 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.628 5.998 -2.027 1.00 0.00 H new ATOM 365 N SER A 26 5.632 3.565 -3.212 1.00 0.00 N ATOM 366 CA SER A 26 6.028 2.168 -3.149 1.00 0.00 C ATOM 367 C SER A 26 7.312 1.950 -3.951 1.00 0.00 C ATOM 368 O SER A 26 8.410 2.187 -3.449 1.00 0.00 O ATOM 369 CB SER A 26 4.916 1.255 -3.669 1.00 0.00 C ATOM 370 OG SER A 26 3.840 1.142 -2.742 1.00 0.00 O ATOM 0 H SER A 26 4.989 3.792 -3.970 1.00 0.00 H new ATOM 0 HA SER A 26 6.212 1.913 -2.105 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.540 1.645 -4.615 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.325 0.265 -3.872 1.00 0.00 H new ATOM 0 HG SER A 26 3.063 0.747 -3.190 1.00 0.00 H new ATOM 375 N ASN A 27 7.132 1.503 -5.185 1.00 0.00 N ATOM 376 CA ASN A 27 8.263 1.252 -6.063 1.00 0.00 C ATOM 377 C ASN A 27 7.769 0.581 -7.345 1.00 0.00 C ATOM 378 O ASN A 27 7.533 1.251 -8.349 1.00 0.00 O ATOM 379 CB ASN A 27 9.277 0.316 -5.400 1.00 0.00 C ATOM 380 CG ASN A 27 10.572 1.059 -5.064 1.00 0.00 C ATOM 381 OD1 ASN A 27 10.812 2.169 -5.507 1.00 0.00 O ATOM 382 ND2 ASN A 27 11.389 0.386 -4.260 1.00 0.00 N ATOM 0 H ASN A 27 6.220 1.308 -5.598 1.00 0.00 H new ATOM 0 HA ASN A 27 8.741 2.208 -6.279 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.848 -0.104 -4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.495 -0.519 -6.065 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.279 0.796 -3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.126 -0.541 -3.925 1.00 0.00 H new ATOM 388 N LYS A 28 7.625 -0.734 -7.270 1.00 0.00 N ATOM 389 CA LYS A 28 7.163 -1.503 -8.413 1.00 0.00 C ATOM 390 C LYS A 28 6.317 -2.680 -7.923 1.00 0.00 C ATOM 391 O LYS A 28 5.090 -2.633 -7.978 1.00 0.00 O ATOM 392 CB LYS A 28 8.343 -1.919 -9.293 1.00 0.00 C ATOM 393 CG LYS A 28 9.328 -0.761 -9.472 1.00 0.00 C ATOM 394 CD LYS A 28 8.757 0.302 -10.415 1.00 0.00 C ATOM 395 CE LYS A 28 9.350 0.165 -11.819 1.00 0.00 C ATOM 396 NZ LYS A 28 8.564 -0.799 -12.621 1.00 0.00 N ATOM 0 H LYS A 28 7.820 -1.287 -6.435 1.00 0.00 H new ATOM 0 HA LYS A 28 6.522 -0.891 -9.048 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.854 -2.770 -8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.978 -2.245 -10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.548 -0.313 -8.503 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.270 -1.138 -9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.672 0.205 -10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.971 1.296 -10.021 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.359 1.137 -12.313 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.386 -0.168 -11.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.882 -0.768 -13.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.701 -1.758 -12.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.556 -0.549 -12.574 1.00 0.00 H new ATOM 406 N GLY A 29 7.008 -3.708 -7.452 1.00 0.00 N ATOM 407 CA GLY A 29 6.336 -4.896 -6.952 1.00 0.00 C ATOM 408 C GLY A 29 5.226 -4.523 -5.967 1.00 0.00 C ATOM 409 O GLY A 29 4.138 -5.096 -6.007 1.00 0.00 O ATOM 0 H GLY A 29 8.026 -3.743 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.914 -5.458 -7.785 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.059 -5.548 -6.461 1.00 0.00 H new ATOM 413 N ALA A 30 5.539 -3.565 -5.107 1.00 0.00 N ATOM 414 CA ALA A 30 4.581 -3.109 -4.113 1.00 0.00 C ATOM 415 C ALA A 30 3.326 -2.591 -4.821 1.00 0.00 C ATOM 416 O ALA A 30 2.328 -2.280 -4.173 1.00 0.00 O ATOM 417 CB ALA A 30 5.231 -2.046 -3.227 1.00 0.00 C ATOM 0 H ALA A 30 6.442 -3.092 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 30 4.279 -3.932 -3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.512 -1.704 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.099 -2.472 -2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.545 -1.202 -3.842 1.00 0.00 H new ATOM 423 N ILE A 31 3.419 -2.515 -6.140 1.00 0.00 N ATOM 424 CA ILE A 31 2.304 -2.040 -6.943 1.00 0.00 C ATOM 425 C ILE A 31 1.731 -3.206 -7.752 1.00 0.00 C ATOM 426 O ILE A 31 0.613 -3.124 -8.258 1.00 0.00 O ATOM 427 CB ILE A 31 2.731 -0.848 -7.801 1.00 0.00 C ATOM 428 CG1 ILE A 31 3.318 0.269 -6.935 1.00 0.00 C ATOM 429 CG2 ILE A 31 1.572 -0.352 -8.666 1.00 0.00 C ATOM 430 CD1 ILE A 31 4.799 0.488 -7.252 1.00 0.00 C ATOM 0 H ILE A 31 4.249 -2.774 -6.673 1.00 0.00 H new ATOM 0 HA ILE A 31 1.503 -1.671 -6.302 1.00 0.00 H new ATOM 0 HB ILE A 31 3.519 -1.179 -8.477 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.766 1.193 -7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.202 0.016 -5.881 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.903 0.496 -9.266 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.240 -1.155 -9.324 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.746 -0.043 -8.025 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.191 1.287 -6.623 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.352 -0.431 -7.059 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.910 0.764 -8.301 1.00 0.00 H new ATOM 441 N ILE A 32 2.522 -4.264 -7.848 1.00 0.00 N ATOM 442 CA ILE A 32 2.108 -5.445 -8.587 1.00 0.00 C ATOM 443 C ILE A 32 2.438 -6.694 -7.769 1.00 0.00 C ATOM 444 O ILE A 32 1.626 -7.147 -6.964 1.00 0.00 O ATOM 445 CB ILE A 32 2.724 -5.444 -9.987 1.00 0.00 C ATOM 446 CG1 ILE A 32 2.150 -4.309 -10.838 1.00 0.00 C ATOM 447 CG2 ILE A 32 2.555 -6.807 -10.661 1.00 0.00 C ATOM 448 CD1 ILE A 32 3.148 -3.873 -11.913 1.00 0.00 C ATOM 0 H ILE A 32 3.448 -4.328 -7.426 1.00 0.00 H new ATOM 0 HA ILE A 32 1.029 -5.441 -8.740 1.00 0.00 H new ATOM 0 HB ILE A 32 3.794 -5.263 -9.889 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.222 -4.635 -11.308 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.903 -3.460 -10.200 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.002 -6.779 -11.655 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.049 -7.573 -10.063 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.494 -7.042 -10.746 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.716 -3.065 -12.504 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.065 -3.525 -11.438 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.374 -4.718 -12.563 1.00 0.00 H new ATOM 459 N GLY A 33 3.634 -7.217 -8.004 1.00 0.00 N ATOM 460 CA GLY A 33 4.083 -8.407 -7.300 1.00 0.00 C ATOM 461 C GLY A 33 2.981 -9.468 -7.262 1.00 0.00 C ATOM 462 O GLY A 33 2.035 -9.418 -8.048 1.00 0.00 O ATOM 0 H GLY A 33 4.305 -6.838 -8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.967 -8.813 -7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.375 -8.144 -6.283 1.00 0.00 H new ATOM 466 N LEU A 34 3.140 -10.406 -6.339 1.00 0.00 N ATOM 467 CA LEU A 34 2.172 -11.480 -6.187 1.00 0.00 C ATOM 468 C LEU A 34 0.760 -10.912 -6.348 1.00 0.00 C ATOM 469 O LEU A 34 -0.118 -11.572 -6.901 1.00 0.00 O ATOM 470 CB LEU A 34 2.391 -12.216 -4.864 1.00 0.00 C ATOM 471 CG LEU A 34 2.976 -13.626 -4.972 1.00 0.00 C ATOM 472 CD1 LEU A 34 4.419 -13.584 -5.477 1.00 0.00 C ATOM 473 CD2 LEU A 34 2.857 -14.372 -3.642 1.00 0.00 C ATOM 0 H LEU A 34 3.925 -10.445 -5.689 1.00 0.00 H new ATOM 0 HA LEU A 34 2.307 -12.229 -6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.054 -11.615 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.436 -12.279 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 34 2.393 -14.182 -5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.811 -14.599 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.446 -13.118 -6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.030 -13.005 -4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.280 -15.371 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.399 -13.827 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.807 -14.450 -3.361 1.00 0.00 H new ATOM 484 N MET A 35 0.586 -9.695 -5.855 1.00 0.00 N ATOM 485 CA MET A 35 -0.705 -9.031 -5.937 1.00 0.00 C ATOM 486 C MET A 35 -1.179 -8.935 -7.387 1.00 0.00 C ATOM 487 O MET A 35 -2.210 -9.504 -7.746 1.00 0.00 O ATOM 488 CB MET A 35 -0.596 -7.628 -5.340 1.00 0.00 C ATOM 489 CG MET A 35 -1.402 -7.518 -4.044 1.00 0.00 C ATOM 490 SD MET A 35 -0.562 -6.443 -2.892 1.00 0.00 S ATOM 491 CE MET A 35 -0.536 -7.495 -1.449 1.00 0.00 C ATOM 0 H MET A 35 1.317 -9.151 -5.397 1.00 0.00 H new ATOM 0 HA MET A 35 -1.432 -9.618 -5.375 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.450 -7.393 -5.143 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.957 -6.894 -6.060 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.398 -7.129 -4.257 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.533 -8.506 -3.603 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.043 -6.975 -0.628 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.558 -7.742 -1.160 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.008 -8.412 -1.677 1.00 0.00 H new ATOM 499 N VAL A 36 -0.408 -8.209 -8.182 1.00 0.00 N ATOM 500 CA VAL A 36 -0.736 -8.031 -9.586 1.00 0.00 C ATOM 501 C VAL A 36 -2.029 -7.221 -9.704 1.00 0.00 C ATOM 502 O VAL A 36 -2.367 -6.737 -10.783 1.00 0.00 O ATOM 503 CB VAL A 36 -0.818 -9.391 -10.282 1.00 0.00 C ATOM 504 CG1 VAL A 36 -1.866 -9.374 -11.397 1.00 0.00 C ATOM 505 CG2 VAL A 36 0.551 -9.812 -10.822 1.00 0.00 C ATOM 0 H VAL A 36 0.444 -7.736 -7.880 1.00 0.00 H new ATOM 0 HA VAL A 36 0.048 -7.469 -10.093 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.129 -10.129 -9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.904 -10.353 -11.875 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.843 -9.138 -10.975 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.599 -8.619 -12.136 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.466 -10.782 -11.312 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.902 -9.072 -11.541 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.261 -9.883 -9.998 1.00 0.00 H new ATOM 515 N GLY A 37 -2.717 -7.098 -8.578 1.00 0.00 N ATOM 516 CA GLY A 37 -3.965 -6.355 -8.541 1.00 0.00 C ATOM 517 C GLY A 37 -4.815 -6.771 -7.339 1.00 0.00 C ATOM 518 O GLY A 37 -5.287 -5.922 -6.584 1.00 0.00 O ATOM 0 H GLY A 37 -2.434 -7.500 -7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.755 -5.287 -8.490 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.522 -6.527 -9.462 1.00 0.00 H new ATOM 522 N GLY A 38 -4.984 -8.077 -7.198 1.00 0.00 N ATOM 523 CA GLY A 38 -5.769 -8.617 -6.101 1.00 0.00 C ATOM 524 C GLY A 38 -5.159 -9.919 -5.578 1.00 0.00 C ATOM 525 O GLY A 38 -5.756 -10.597 -4.743 1.00 0.00 O ATOM 0 H GLY A 38 -4.590 -8.778 -7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.823 -7.887 -5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.791 -8.798 -6.435 1.00 0.00 H new ATOM 529 N VAL A 39 -3.977 -10.229 -6.091 1.00 0.00 N ATOM 530 CA VAL A 39 -3.279 -11.438 -5.686 1.00 0.00 C ATOM 531 C VAL A 39 -3.873 -12.637 -6.427 1.00 0.00 C ATOM 532 O VAL A 39 -3.198 -13.646 -6.623 1.00 0.00 O ATOM 533 CB VAL A 39 -3.335 -11.588 -4.164 1.00 0.00 C ATOM 534 CG1 VAL A 39 -3.978 -12.919 -3.768 1.00 0.00 C ATOM 535 CG2 VAL A 39 -1.940 -11.449 -3.549 1.00 0.00 C ATOM 0 H VAL A 39 -3.485 -9.664 -6.783 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.224 -11.380 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.957 -10.785 -3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.006 -13.001 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.994 -12.964 -4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.393 -13.742 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.007 -11.559 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.286 -12.222 -3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.533 -10.467 -3.789 1.00 0.00 H new ATOM 545 N VAL A 40 -5.130 -12.487 -6.819 1.00 0.00 N ATOM 546 CA VAL A 40 -5.822 -13.545 -7.534 1.00 0.00 C ATOM 547 C VAL A 40 -4.820 -14.306 -8.405 1.00 0.00 C ATOM 548 O VAL A 40 -4.431 -13.830 -9.470 1.00 0.00 O ATOM 549 CB VAL A 40 -6.987 -12.960 -8.335 1.00 0.00 C ATOM 550 CG1 VAL A 40 -7.573 -14.001 -9.291 1.00 0.00 C ATOM 551 CG2 VAL A 40 -8.065 -12.401 -7.405 1.00 0.00 C ATOM 0 H VAL A 40 -5.687 -11.648 -6.655 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.253 -14.260 -6.834 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.601 -12.135 -8.934 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.399 -13.559 -9.848 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.802 -14.331 -9.987 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.936 -14.856 -8.720 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.882 -11.991 -7.999 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.445 -13.199 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.637 -11.614 -6.784 1.00 0.00 H new ATOM 561 N ILE A 41 -4.433 -15.476 -7.919 1.00 0.00 N ATOM 562 CA ILE A 41 -3.483 -16.307 -8.640 1.00 0.00 C ATOM 563 C ILE A 41 -3.867 -16.345 -10.121 1.00 0.00 C ATOM 564 O ILE A 41 -4.995 -16.013 -10.482 1.00 0.00 O ATOM 565 CB ILE A 41 -3.386 -17.691 -7.995 1.00 0.00 C ATOM 566 CG1 ILE A 41 -2.809 -18.714 -8.976 1.00 0.00 C ATOM 567 CG2 ILE A 41 -4.740 -18.133 -7.437 1.00 0.00 C ATOM 568 CD1 ILE A 41 -2.783 -20.113 -8.357 1.00 0.00 C ATOM 0 H ILE A 41 -4.759 -15.868 -7.036 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.481 -15.881 -8.580 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.697 -17.627 -7.153 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.407 -18.727 -9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.799 -18.420 -9.262 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.642 -19.120 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.073 -17.419 -6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.470 -18.175 -8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.369 -20.821 -9.075 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.165 -20.102 -7.459 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.797 -20.414 -8.095 1.00 0.00 H new ATOM 579 N ALA A 42 -2.906 -16.752 -10.937 1.00 0.00 N ATOM 580 CA ALA A 42 -3.129 -16.837 -12.371 1.00 0.00 C ATOM 581 C ALA A 42 -1.939 -17.539 -13.027 1.00 0.00 C ATOM 582 O ALA A 42 -1.506 -17.153 -14.112 1.00 0.00 O ATOM 583 CB ALA A 42 -3.362 -15.434 -12.935 1.00 0.00 C ATOM 0 H ALA A 42 -1.972 -17.026 -10.633 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.020 -17.427 -12.587 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.529 -15.497 -14.010 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.236 -14.990 -12.457 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.487 -14.813 -12.740 1.00 0.00 H new TER 589 ALA A 42