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 Single : A 1 ASP N :NH3+ -177:sc= 0 (180deg=-0.0165) USER MOD Single : A 6 HIS : no HD1:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -2.68! C(o=-2.7!,f=-4.1!) USER MOD Single : A 14 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.21) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.78 F(o=-1.5,f=-0.78) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 23:sc= 0.888 USER MOD Single : A 27 ASN : amide:sc= -4.82! C(o=-4.8!,f=-24!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -24.471 12.469 4.030 1.00 0.00 N ATOM 2 CA ASP A 1 -24.885 11.088 4.208 1.00 0.00 C ATOM 3 C ASP A 1 -24.069 10.191 3.274 1.00 0.00 C ATOM 4 O ASP A 1 -23.461 9.218 3.718 1.00 0.00 O ATOM 5 CB ASP A 1 -26.365 10.908 3.862 1.00 0.00 C ATOM 6 CG ASP A 1 -27.274 10.598 5.054 1.00 0.00 C ATOM 7 OD1 ASP A 1 -26.738 10.568 6.182 1.00 0.00 O ATOM 8 OD2 ASP A 1 -28.483 10.399 4.807 1.00 0.00 O ATOM 0 H1 ASP A 1 -24.987 13.075 4.699 1.00 0.00 H new ATOM 0 H2 ASP A 1 -23.449 12.551 4.206 1.00 0.00 H new ATOM 0 H3 ASP A 1 -24.680 12.771 3.057 1.00 0.00 H new ATOM 0 HA ASP A 1 -24.723 10.819 5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -26.723 11.817 3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -26.457 10.102 3.134 1.00 0.00 H new ATOM 12 N ALA A 2 -24.083 10.551 2.000 1.00 0.00 N ATOM 13 CA ALA A 2 -23.351 9.791 1.000 1.00 0.00 C ATOM 14 C ALA A 2 -23.947 8.385 0.898 1.00 0.00 C ATOM 15 O ALA A 2 -23.738 7.553 1.780 1.00 0.00 O ATOM 16 CB ALA A 2 -21.865 9.770 1.361 1.00 0.00 C ATOM 0 H ALA A 2 -24.589 11.358 1.636 1.00 0.00 H new ATOM 0 HA ALA A 2 -23.441 10.259 0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -21.316 9.200 0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.484 10.791 1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -21.734 9.304 2.338 1.00 0.00 H new ATOM 22 N GLU A 3 -24.676 8.163 -0.186 1.00 0.00 N ATOM 23 CA GLU A 3 -25.302 6.872 -0.415 1.00 0.00 C ATOM 24 C GLU A 3 -24.851 6.293 -1.757 1.00 0.00 C ATOM 25 O GLU A 3 -25.242 5.185 -2.122 1.00 0.00 O ATOM 26 CB GLU A 3 -26.826 6.983 -0.349 1.00 0.00 C ATOM 27 CG GLU A 3 -27.389 6.151 0.805 1.00 0.00 C ATOM 28 CD GLU A 3 -28.900 5.963 0.660 1.00 0.00 C ATOM 29 OE1 GLU A 3 -29.288 4.993 -0.028 1.00 0.00 O ATOM 30 OE2 GLU A 3 -29.634 6.793 1.239 1.00 0.00 O ATOM 0 H GLU A 3 -24.847 8.855 -0.915 1.00 0.00 H new ATOM 0 HA GLU A 3 -24.986 6.191 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -27.113 8.027 -0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -27.260 6.645 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -26.899 5.178 0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -27.169 6.642 1.753 1.00 0.00 H new ATOM 35 N PHE A 4 -24.036 7.069 -2.455 1.00 0.00 N ATOM 36 CA PHE A 4 -23.528 6.646 -3.750 1.00 0.00 C ATOM 37 C PHE A 4 -22.910 7.824 -4.506 1.00 0.00 C ATOM 38 O PHE A 4 -21.795 7.723 -5.015 1.00 0.00 O ATOM 39 CB PHE A 4 -24.721 6.113 -4.546 1.00 0.00 C ATOM 40 CG PHE A 4 -24.687 4.601 -4.779 1.00 0.00 C ATOM 41 CD1 PHE A 4 -24.039 3.791 -3.898 1.00 0.00 C ATOM 42 CD2 PHE A 4 -25.304 4.066 -5.867 1.00 0.00 C ATOM 43 CE1 PHE A 4 -24.008 2.388 -4.114 1.00 0.00 C ATOM 44 CE2 PHE A 4 -25.273 2.664 -6.083 1.00 0.00 C ATOM 45 CZ PHE A 4 -24.626 1.854 -5.202 1.00 0.00 C ATOM 0 H PHE A 4 -23.715 7.988 -2.149 1.00 0.00 H new ATOM 0 HA PHE A 4 -22.756 5.888 -3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -25.640 6.369 -4.019 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -24.756 6.618 -5.511 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -23.548 4.215 -3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -25.818 4.709 -6.567 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -23.494 1.745 -3.415 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -25.763 2.240 -6.947 1.00 0.00 H new ATOM 0 HZ PHE A 4 -24.603 0.787 -5.366 1.00 0.00 H new ATOM 54 N ARG A 5 -23.663 8.914 -4.557 1.00 0.00 N ATOM 55 CA ARG A 5 -23.204 10.109 -5.243 1.00 0.00 C ATOM 56 C ARG A 5 -21.889 10.599 -4.633 1.00 0.00 C ATOM 57 O ARG A 5 -20.972 10.991 -5.353 1.00 0.00 O ATOM 58 CB ARG A 5 -24.244 11.226 -5.160 1.00 0.00 C ATOM 59 CG ARG A 5 -24.063 12.052 -3.885 1.00 0.00 C ATOM 60 CD ARG A 5 -25.131 13.143 -3.781 1.00 0.00 C ATOM 61 NE ARG A 5 -24.499 14.479 -3.858 1.00 0.00 N ATOM 62 CZ ARG A 5 -23.894 15.086 -2.828 1.00 0.00 C ATOM 63 NH1 ARG A 5 -23.835 14.479 -1.634 1.00 0.00 N ATOM 64 NH2 ARG A 5 -23.349 16.298 -2.990 1.00 0.00 N ATOM 0 H ARG A 5 -24.588 8.994 -4.134 1.00 0.00 H new ATOM 0 HA ARG A 5 -23.049 9.851 -6.291 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -24.157 11.874 -6.032 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -25.246 10.797 -5.180 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -24.119 11.399 -3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -23.072 12.506 -3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -25.859 13.029 -4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -25.675 13.043 -2.842 1.00 0.00 H new ATOM 0 HE ARG A 5 -24.526 14.969 -4.752 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -24.250 13.556 -1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -23.375 14.940 -0.849 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -23.394 16.760 -3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -22.889 16.759 -2.205 1.00 0.00 H new ATOM 75 N HIS A 6 -21.838 10.563 -3.310 1.00 0.00 N ATOM 76 CA HIS A 6 -20.651 11.000 -2.593 1.00 0.00 C ATOM 77 C HIS A 6 -19.745 9.797 -2.324 1.00 0.00 C ATOM 78 O HIS A 6 -18.541 9.856 -2.572 1.00 0.00 O ATOM 79 CB HIS A 6 -21.033 11.753 -1.317 1.00 0.00 C ATOM 80 CG HIS A 6 -20.207 12.992 -1.065 1.00 0.00 C ATOM 81 ND1 HIS A 6 -20.674 14.268 -1.322 1.00 0.00 N ATOM 82 CD2 HIS A 6 -18.943 13.135 -0.575 1.00 0.00 C ATOM 83 CE1 HIS A 6 -19.723 15.133 -1.000 1.00 0.00 C ATOM 84 NE2 HIS A 6 -18.652 14.430 -0.536 1.00 0.00 N ATOM 0 H HIS A 6 -22.600 10.238 -2.715 1.00 0.00 H new ATOM 0 HA HIS A 6 -20.089 11.705 -3.206 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -22.084 12.035 -1.375 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -20.930 11.080 -0.466 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -18.289 12.331 -0.270 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -19.786 16.207 -1.090 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -17.772 14.832 -0.212 1.00 0.00 H new ATOM 92 N ASP A 7 -20.356 8.736 -1.820 1.00 0.00 N ATOM 93 CA ASP A 7 -19.618 7.522 -1.514 1.00 0.00 C ATOM 94 C ASP A 7 -18.593 7.262 -2.619 1.00 0.00 C ATOM 95 O ASP A 7 -17.396 7.463 -2.420 1.00 0.00 O ATOM 96 CB ASP A 7 -20.554 6.313 -1.441 1.00 0.00 C ATOM 97 CG ASP A 7 -19.853 4.964 -1.266 1.00 0.00 C ATOM 98 OD1 ASP A 7 -19.390 4.708 -0.135 1.00 0.00 O ATOM 99 OD2 ASP A 7 -19.797 4.220 -2.269 1.00 0.00 O ATOM 0 H ASP A 7 -21.354 8.691 -1.616 1.00 0.00 H new ATOM 0 HA ASP A 7 -19.129 7.658 -0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -21.245 6.457 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -21.152 6.280 -2.352 1.00 0.00 H new ATOM 103 N SER A 8 -19.100 6.817 -3.759 1.00 0.00 N ATOM 104 CA SER A 8 -18.243 6.526 -4.897 1.00 0.00 C ATOM 105 C SER A 8 -17.227 7.653 -5.086 1.00 0.00 C ATOM 106 O SER A 8 -16.065 7.400 -5.403 1.00 0.00 O ATOM 107 CB SER A 8 -19.066 6.333 -6.171 1.00 0.00 C ATOM 108 OG SER A 8 -18.764 7.318 -7.155 1.00 0.00 O ATOM 0 H SER A 8 -20.093 6.651 -3.920 1.00 0.00 H new ATOM 0 HA SER A 8 -17.712 5.596 -4.697 1.00 0.00 H new ATOM 0 HB2 SER A 8 -18.874 5.341 -6.580 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.127 6.377 -5.927 1.00 0.00 H new ATOM 0 HG SER A 8 -19.309 7.160 -7.954 1.00 0.00 H new ATOM 113 N GLY A 9 -17.700 8.874 -4.885 1.00 0.00 N ATOM 114 CA GLY A 9 -16.846 10.041 -5.031 1.00 0.00 C ATOM 115 C GLY A 9 -15.524 9.849 -4.284 1.00 0.00 C ATOM 116 O GLY A 9 -14.534 10.514 -4.588 1.00 0.00 O ATOM 0 H GLY A 9 -18.664 9.081 -4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -16.648 10.222 -6.088 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -17.360 10.923 -4.648 1.00 0.00 H new ATOM 120 N TYR A 10 -15.552 8.941 -3.320 1.00 0.00 N ATOM 121 CA TYR A 10 -14.369 8.654 -2.527 1.00 0.00 C ATOM 122 C TYR A 10 -13.661 7.395 -3.033 1.00 0.00 C ATOM 123 O TYR A 10 -12.512 7.456 -3.468 1.00 0.00 O ATOM 124 CB TYR A 10 -14.866 8.408 -1.102 1.00 0.00 C ATOM 125 CG TYR A 10 -14.346 7.110 -0.478 1.00 0.00 C ATOM 126 CD1 TYR A 10 -13.099 7.080 0.113 1.00 0.00 C ATOM 127 CD2 TYR A 10 -15.125 5.972 -0.504 1.00 0.00 C ATOM 128 CE1 TYR A 10 -12.610 5.859 0.700 1.00 0.00 C ATOM 129 CE2 TYR A 10 -14.637 4.751 0.084 1.00 0.00 C ATOM 130 CZ TYR A 10 -13.403 4.755 0.657 1.00 0.00 C ATOM 131 OH TYR A 10 -12.942 3.603 1.212 1.00 0.00 O ATOM 0 H TYR A 10 -16.376 8.394 -3.070 1.00 0.00 H new ATOM 0 HA TYR A 10 -13.659 9.479 -2.585 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -14.567 9.247 -0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -15.956 8.386 -1.107 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -12.490 7.972 0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -16.101 5.996 -0.965 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -11.635 5.821 1.164 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -15.237 3.853 0.070 1.00 0.00 H new ATOM 0 HH TYR A 10 -13.615 2.898 1.108 1.00 0.00 H new ATOM 140 N GLU A 11 -14.378 6.283 -2.960 1.00 0.00 N ATOM 141 CA GLU A 11 -13.833 5.012 -3.405 1.00 0.00 C ATOM 142 C GLU A 11 -13.044 5.197 -4.702 1.00 0.00 C ATOM 143 O GLU A 11 -11.814 5.163 -4.694 1.00 0.00 O ATOM 144 CB GLU A 11 -14.942 3.973 -3.582 1.00 0.00 C ATOM 145 CG GLU A 11 -14.657 2.719 -2.752 1.00 0.00 C ATOM 146 CD GLU A 11 -15.916 1.862 -2.602 1.00 0.00 C ATOM 147 OE1 GLU A 11 -16.372 1.338 -3.641 1.00 0.00 O ATOM 148 OE2 GLU A 11 -16.393 1.751 -1.452 1.00 0.00 O ATOM 0 H GLU A 11 -15.331 6.236 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.152 4.643 -2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.898 4.402 -3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.029 3.705 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.870 2.135 -3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.289 3.006 -1.767 1.00 0.00 H new ATOM 153 N VAL A 12 -13.783 5.388 -5.785 1.00 0.00 N ATOM 154 CA VAL A 12 -13.167 5.580 -7.087 1.00 0.00 C ATOM 155 C VAL A 12 -12.034 6.601 -6.966 1.00 0.00 C ATOM 156 O VAL A 12 -11.103 6.600 -7.771 1.00 0.00 O ATOM 157 CB VAL A 12 -14.227 5.982 -8.114 1.00 0.00 C ATOM 158 CG1 VAL A 12 -14.463 7.493 -8.096 1.00 0.00 C ATOM 159 CG2 VAL A 12 -13.842 5.505 -9.515 1.00 0.00 C ATOM 0 H VAL A 12 -14.803 5.414 -5.788 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.727 4.648 -7.442 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.162 5.493 -7.839 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.221 7.752 -8.835 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.803 7.796 -7.106 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.533 8.009 -8.334 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.613 5.804 -10.226 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.890 5.952 -9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.748 4.419 -9.517 1.00 0.00 H new ATOM 169 N HIS A 13 -12.151 7.449 -5.954 1.00 0.00 N ATOM 170 CA HIS A 13 -11.148 8.473 -5.718 1.00 0.00 C ATOM 171 C HIS A 13 -9.953 7.862 -4.982 1.00 0.00 C ATOM 172 O HIS A 13 -8.810 8.019 -5.409 1.00 0.00 O ATOM 173 CB HIS A 13 -11.754 9.665 -4.975 1.00 0.00 C ATOM 174 CG HIS A 13 -12.008 10.869 -5.850 1.00 0.00 C ATOM 175 ND1 HIS A 13 -12.693 11.988 -5.407 1.00 0.00 N ATOM 176 CD2 HIS A 13 -11.661 11.119 -7.145 1.00 0.00 C ATOM 177 CE1 HIS A 13 -12.750 12.864 -6.398 1.00 0.00 C ATOM 178 NE2 HIS A 13 -12.111 12.324 -7.475 1.00 0.00 N ATOM 0 H HIS A 13 -12.924 7.448 -5.289 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.785 8.858 -6.671 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -12.694 9.356 -4.518 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.085 9.953 -4.164 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -13.087 12.116 -4.475 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.113 10.450 -7.792 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -13.220 13.836 -6.360 1.00 0.00 H new ATOM 186 N HIS A 14 -10.257 7.179 -3.889 1.00 0.00 N ATOM 187 CA HIS A 14 -9.224 6.544 -3.090 1.00 0.00 C ATOM 188 C HIS A 14 -8.154 5.955 -4.011 1.00 0.00 C ATOM 189 O HIS A 14 -6.965 6.011 -3.702 1.00 0.00 O ATOM 190 CB HIS A 14 -9.829 5.504 -2.144 1.00 0.00 C ATOM 191 CG HIS A 14 -9.186 5.470 -0.779 1.00 0.00 C ATOM 192 ND1 HIS A 14 -9.257 4.367 0.056 1.00 0.00 N ATOM 193 CD2 HIS A 14 -8.460 6.411 -0.111 1.00 0.00 C ATOM 194 CE1 HIS A 14 -8.600 4.644 1.173 1.00 0.00 C ATOM 195 NE2 HIS A 14 -8.106 5.913 1.068 1.00 0.00 N ATOM 0 H HIS A 14 -11.206 7.051 -3.537 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.741 7.288 -2.456 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.893 5.709 -2.028 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.742 4.518 -2.600 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.214 7.396 -0.479 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.477 3.983 2.018 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.556 6.398 1.777 1.00 0.00 H new ATOM 203 N GLN A 15 -8.614 5.403 -5.124 1.00 0.00 N ATOM 204 CA GLN A 15 -7.711 4.805 -6.093 1.00 0.00 C ATOM 205 C GLN A 15 -6.968 5.894 -6.869 1.00 0.00 C ATOM 206 O GLN A 15 -6.086 5.594 -7.673 1.00 0.00 O ATOM 207 CB GLN A 15 -8.466 3.873 -7.042 1.00 0.00 C ATOM 208 CG GLN A 15 -7.494 3.005 -7.845 1.00 0.00 C ATOM 209 CD GLN A 15 -7.020 1.807 -7.019 1.00 0.00 C ATOM 210 OE1 GLN A 15 -7.999 1.150 -6.404 1.00 0.00 O flip ATOM 211 NE2 GLN A 15 -5.840 1.500 -6.945 1.00 0.00 N flip ATOM 0 H GLN A 15 -9.601 5.357 -5.377 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.977 4.205 -5.555 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.142 3.236 -6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.081 4.461 -7.723 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.980 2.654 -8.755 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.636 3.602 -8.152 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.138 2.048 -7.443 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.556 0.696 -6.385 1.00 0.00 H new ATOM 218 N LYS A 16 -7.351 7.133 -6.601 1.00 0.00 N ATOM 219 CA LYS A 16 -6.731 8.268 -7.264 1.00 0.00 C ATOM 220 C LYS A 16 -5.344 8.508 -6.665 1.00 0.00 C ATOM 221 O LYS A 16 -4.352 8.568 -7.392 1.00 0.00 O ATOM 222 CB LYS A 16 -7.649 9.491 -7.201 1.00 0.00 C ATOM 223 CG LYS A 16 -7.044 10.668 -7.970 1.00 0.00 C ATOM 224 CD LYS A 16 -6.254 10.182 -9.187 1.00 0.00 C ATOM 225 CE LYS A 16 -7.195 9.736 -10.308 1.00 0.00 C ATOM 226 NZ LYS A 16 -6.637 10.101 -11.629 1.00 0.00 N ATOM 0 H LYS A 16 -8.083 7.376 -5.934 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.588 8.059 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.624 9.241 -7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.812 9.776 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.837 11.342 -8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.389 11.239 -7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.606 10.981 -9.547 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.608 9.353 -8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.347 8.658 -10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.172 10.202 -10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.288 9.791 -12.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.515 11.132 -11.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.715 9.636 -11.757 1.00 0.00 H new ATOM 236 N LEU A 17 -5.318 8.639 -5.347 1.00 0.00 N ATOM 237 CA LEU A 17 -4.068 8.871 -4.644 1.00 0.00 C ATOM 238 C LEU A 17 -3.128 7.686 -4.876 1.00 0.00 C ATOM 239 O LEU A 17 -1.999 7.865 -5.330 1.00 0.00 O ATOM 240 CB LEU A 17 -4.333 9.163 -3.165 1.00 0.00 C ATOM 241 CG LEU A 17 -3.377 10.154 -2.496 1.00 0.00 C ATOM 242 CD1 LEU A 17 -3.849 10.503 -1.083 1.00 0.00 C ATOM 243 CD2 LEU A 17 -1.942 9.623 -2.506 1.00 0.00 C ATOM 0 H LEU A 17 -6.142 8.589 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.569 9.756 -5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.349 9.546 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.292 8.222 -2.616 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.383 11.078 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.152 11.208 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.841 10.953 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.891 9.597 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.283 10.346 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.900 8.678 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.619 9.467 -3.535 1.00 0.00 H new ATOM 254 N VAL A 18 -3.630 6.502 -4.556 1.00 0.00 N ATOM 255 CA VAL A 18 -2.848 5.289 -4.725 1.00 0.00 C ATOM 256 C VAL A 18 -1.770 5.524 -5.783 1.00 0.00 C ATOM 257 O VAL A 18 -0.587 5.295 -5.531 1.00 0.00 O ATOM 258 CB VAL A 18 -3.773 4.115 -5.064 1.00 0.00 C ATOM 259 CG1 VAL A 18 -3.873 3.140 -3.889 1.00 0.00 C ATOM 260 CG2 VAL A 18 -5.157 4.611 -5.484 1.00 0.00 C ATOM 0 H VAL A 18 -4.567 6.357 -4.181 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.339 5.030 -3.796 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.339 3.579 -5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.535 2.316 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.883 2.749 -3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.272 3.660 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.793 3.758 -5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.602 5.182 -4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.064 5.247 -6.364 1.00 0.00 H new ATOM 270 N PHE A 19 -2.215 5.980 -6.945 1.00 0.00 N ATOM 271 CA PHE A 19 -1.301 6.250 -8.042 1.00 0.00 C ATOM 272 C PHE A 19 -0.177 7.188 -7.602 1.00 0.00 C ATOM 273 O PHE A 19 1.000 6.843 -7.698 1.00 0.00 O ATOM 274 CB PHE A 19 -2.115 6.929 -9.145 1.00 0.00 C ATOM 275 CG PHE A 19 -3.425 6.214 -9.483 1.00 0.00 C ATOM 276 CD1 PHE A 19 -3.600 4.912 -9.128 1.00 0.00 C ATOM 277 CD2 PHE A 19 -4.413 6.878 -10.139 1.00 0.00 C ATOM 278 CE1 PHE A 19 -4.816 4.248 -9.441 1.00 0.00 C ATOM 279 CE2 PHE A 19 -5.628 6.213 -10.454 1.00 0.00 C ATOM 280 CZ PHE A 19 -5.803 4.912 -10.097 1.00 0.00 C ATOM 0 H PHE A 19 -3.196 6.169 -7.151 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.847 5.320 -8.385 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.339 7.951 -8.840 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.505 6.992 -10.046 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.814 4.384 -8.608 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.274 7.911 -10.421 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.956 3.215 -9.157 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.413 6.740 -10.977 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.727 4.407 -10.335 1.00 0.00 H new ATOM 289 N PHE A 20 -0.578 8.359 -7.128 1.00 0.00 N ATOM 290 CA PHE A 20 0.379 9.351 -6.673 1.00 0.00 C ATOM 291 C PHE A 20 1.404 8.729 -5.721 1.00 0.00 C ATOM 292 O PHE A 20 2.597 9.006 -5.820 1.00 0.00 O ATOM 293 CB PHE A 20 -0.410 10.425 -5.921 1.00 0.00 C ATOM 294 CG PHE A 20 0.171 11.833 -6.057 1.00 0.00 C ATOM 295 CD1 PHE A 20 1.496 12.002 -6.309 1.00 0.00 C ATOM 296 CD2 PHE A 20 -0.639 12.918 -5.923 1.00 0.00 C ATOM 297 CE1 PHE A 20 2.035 13.309 -6.435 1.00 0.00 C ATOM 298 CE2 PHE A 20 -0.099 14.227 -6.047 1.00 0.00 C ATOM 299 CZ PHE A 20 1.226 14.394 -6.301 1.00 0.00 C ATOM 0 H PHE A 20 -1.555 8.642 -7.050 1.00 0.00 H new ATOM 0 HA PHE A 20 0.918 9.764 -7.526 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.437 10.430 -6.287 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.449 10.160 -4.865 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.139 11.141 -6.413 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.692 12.785 -5.723 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.088 13.442 -6.637 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.741 15.089 -5.939 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.636 15.388 -6.396 1.00 0.00 H new ATOM 308 N ALA A 21 0.897 7.897 -4.822 1.00 0.00 N ATOM 309 CA ALA A 21 1.754 7.233 -3.853 1.00 0.00 C ATOM 310 C ALA A 21 2.526 6.110 -4.548 1.00 0.00 C ATOM 311 O ALA A 21 3.709 5.907 -4.279 1.00 0.00 O ATOM 312 CB ALA A 21 0.904 6.721 -2.688 1.00 0.00 C ATOM 0 H ALA A 21 -0.094 7.668 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 21 2.484 7.931 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.545 6.223 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.398 7.560 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.162 6.015 -3.061 1.00 0.00 H new ATOM 318 N GLU A 22 1.826 5.410 -5.429 1.00 0.00 N ATOM 319 CA GLU A 22 2.433 4.313 -6.163 1.00 0.00 C ATOM 320 C GLU A 22 3.484 4.845 -7.141 1.00 0.00 C ATOM 321 O GLU A 22 4.350 4.099 -7.592 1.00 0.00 O ATOM 322 CB GLU A 22 1.369 3.491 -6.896 1.00 0.00 C ATOM 323 CG GLU A 22 1.150 2.142 -6.210 1.00 0.00 C ATOM 324 CD GLU A 22 1.099 2.302 -4.689 1.00 0.00 C ATOM 325 OE1 GLU A 22 0.514 3.314 -4.245 1.00 0.00 O ATOM 326 OE2 GLU A 22 1.646 1.409 -4.005 1.00 0.00 O ATOM 0 H GLU A 22 0.845 5.581 -5.651 1.00 0.00 H new ATOM 0 HA GLU A 22 2.929 3.654 -5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.431 4.046 -6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.676 3.332 -7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.220 1.697 -6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.954 1.458 -6.480 1.00 0.00 H new ATOM 331 N ASP A 23 3.372 6.132 -7.438 1.00 0.00 N ATOM 332 CA ASP A 23 4.300 6.771 -8.353 1.00 0.00 C ATOM 333 C ASP A 23 5.466 7.365 -7.557 1.00 0.00 C ATOM 334 O ASP A 23 6.621 7.252 -7.964 1.00 0.00 O ATOM 335 CB ASP A 23 3.624 7.910 -9.120 1.00 0.00 C ATOM 336 CG ASP A 23 4.093 8.085 -10.564 1.00 0.00 C ATOM 337 OD1 ASP A 23 3.889 7.132 -11.347 1.00 0.00 O ATOM 338 OD2 ASP A 23 4.645 9.168 -10.855 1.00 0.00 O ATOM 0 H ASP A 23 2.652 6.748 -7.061 1.00 0.00 H new ATOM 0 HA ASP A 23 4.648 6.018 -9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.548 7.738 -9.122 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.797 8.842 -8.582 1.00 0.00 H new ATOM 342 N VAL A 24 5.120 7.984 -6.437 1.00 0.00 N ATOM 343 CA VAL A 24 6.123 8.595 -5.582 1.00 0.00 C ATOM 344 C VAL A 24 6.868 7.500 -4.815 1.00 0.00 C ATOM 345 O VAL A 24 6.369 6.991 -3.813 1.00 0.00 O ATOM 346 CB VAL A 24 5.467 9.629 -4.663 1.00 0.00 C ATOM 347 CG1 VAL A 24 4.649 8.944 -3.565 1.00 0.00 C ATOM 348 CG2 VAL A 24 6.513 10.569 -4.061 1.00 0.00 C ATOM 0 H VAL A 24 4.161 8.075 -6.103 1.00 0.00 H new ATOM 0 HA VAL A 24 6.860 9.132 -6.180 1.00 0.00 H new ATOM 0 HB VAL A 24 4.785 10.229 -5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.193 9.700 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.868 8.335 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.303 8.309 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.021 11.294 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.231 9.990 -3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.034 11.094 -4.862 1.00 0.00 H new ATOM 358 N GLY A 25 8.050 7.173 -5.314 1.00 0.00 N ATOM 359 CA GLY A 25 8.869 6.150 -4.688 1.00 0.00 C ATOM 360 C GLY A 25 8.007 4.993 -4.178 1.00 0.00 C ATOM 361 O GLY A 25 8.361 4.331 -3.204 1.00 0.00 O ATOM 0 H GLY A 25 8.460 7.599 -6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.600 5.775 -5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.429 6.584 -3.859 1.00 0.00 H new ATOM 365 N SER A 26 6.890 4.785 -4.859 1.00 0.00 N ATOM 366 CA SER A 26 5.973 3.721 -4.488 1.00 0.00 C ATOM 367 C SER A 26 5.627 3.824 -3.000 1.00 0.00 C ATOM 368 O SER A 26 5.175 2.854 -2.396 1.00 0.00 O ATOM 369 CB SER A 26 6.568 2.347 -4.799 1.00 0.00 C ATOM 370 OG SER A 26 6.134 1.354 -3.875 1.00 0.00 O ATOM 0 H SER A 26 6.599 5.336 -5.667 1.00 0.00 H new ATOM 0 HA SER A 26 5.062 3.834 -5.076 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.285 2.050 -5.809 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.656 2.410 -4.778 1.00 0.00 H new ATOM 0 HG SER A 26 5.288 1.634 -3.467 1.00 0.00 H new ATOM 375 N ASN A 27 5.852 5.010 -2.454 1.00 0.00 N ATOM 376 CA ASN A 27 5.569 5.253 -1.050 1.00 0.00 C ATOM 377 C ASN A 27 6.020 6.669 -0.681 1.00 0.00 C ATOM 378 O ASN A 27 5.282 7.631 -0.885 1.00 0.00 O ATOM 379 CB ASN A 27 6.326 4.269 -0.157 1.00 0.00 C ATOM 380 CG ASN A 27 6.043 4.537 1.322 1.00 0.00 C ATOM 381 OD1 ASN A 27 6.074 5.663 1.791 1.00 0.00 O ATOM 382 ND2 ASN A 27 5.764 3.446 2.027 1.00 0.00 N ATOM 0 H ASN A 27 6.227 5.813 -2.959 1.00 0.00 H new ATOM 0 HA ASN A 27 4.497 5.129 -0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.035 3.249 -0.407 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.396 4.351 -0.346 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.559 3.521 3.023 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.755 2.533 1.572 1.00 0.00 H new ATOM 388 N LYS A 28 7.228 6.749 -0.144 1.00 0.00 N ATOM 389 CA LYS A 28 7.786 8.030 0.255 1.00 0.00 C ATOM 390 C LYS A 28 7.052 8.535 1.500 1.00 0.00 C ATOM 391 O LYS A 28 7.682 8.980 2.458 1.00 0.00 O ATOM 392 CB LYS A 28 7.760 9.014 -0.916 1.00 0.00 C ATOM 393 CG LYS A 28 8.885 8.714 -1.909 1.00 0.00 C ATOM 394 CD LYS A 28 10.113 9.583 -1.625 1.00 0.00 C ATOM 395 CE LYS A 28 9.751 11.069 -1.656 1.00 0.00 C ATOM 396 NZ LYS A 28 10.944 11.885 -1.974 1.00 0.00 N ATOM 0 H LYS A 28 7.836 5.948 0.024 1.00 0.00 H new ATOM 0 HA LYS A 28 8.836 7.921 0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.797 8.956 -1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.862 10.033 -0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.158 7.661 -1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.535 8.893 -2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.527 9.326 -0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.887 9.378 -2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.974 11.245 -2.400 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.343 11.371 -0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.682 12.891 -1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.674 11.730 -1.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.316 11.608 -2.905 1.00 0.00 H new ATOM 406 N GLY A 29 5.731 8.448 1.444 1.00 0.00 N ATOM 407 CA GLY A 29 4.906 8.891 2.555 1.00 0.00 C ATOM 408 C GLY A 29 5.556 8.542 3.895 1.00 0.00 C ATOM 409 O GLY A 29 5.842 9.429 4.699 1.00 0.00 O ATOM 0 H GLY A 29 5.212 8.078 0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.752 9.968 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.923 8.424 2.491 1.00 0.00 H new ATOM 413 N ALA A 30 5.770 7.251 4.094 1.00 0.00 N ATOM 414 CA ALA A 30 6.381 6.773 5.324 1.00 0.00 C ATOM 415 C ALA A 30 7.522 5.813 4.982 1.00 0.00 C ATOM 416 O ALA A 30 8.236 5.352 5.870 1.00 0.00 O ATOM 417 CB ALA A 30 5.314 6.123 6.206 1.00 0.00 C ATOM 0 H ALA A 30 5.531 6.520 3.424 1.00 0.00 H new ATOM 0 HA ALA A 30 6.807 7.602 5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.773 5.765 7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.543 6.856 6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.864 5.284 5.675 1.00 0.00 H new ATOM 423 N ILE A 31 7.656 5.539 3.693 1.00 0.00 N ATOM 424 CA ILE A 31 8.697 4.641 3.222 1.00 0.00 C ATOM 425 C ILE A 31 8.484 3.257 3.836 1.00 0.00 C ATOM 426 O ILE A 31 9.352 2.388 3.735 1.00 0.00 O ATOM 427 CB ILE A 31 10.080 5.232 3.502 1.00 0.00 C ATOM 428 CG1 ILE A 31 10.806 5.571 2.198 1.00 0.00 C ATOM 429 CG2 ILE A 31 10.905 4.300 4.391 1.00 0.00 C ATOM 430 CD1 ILE A 31 11.717 6.786 2.377 1.00 0.00 C ATOM 0 H ILE A 31 7.061 5.923 2.959 1.00 0.00 H new ATOM 0 HA ILE A 31 8.639 4.523 2.140 1.00 0.00 H new ATOM 0 HB ILE A 31 9.948 6.165 4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.396 4.714 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.077 5.772 1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.883 4.744 4.575 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.390 4.152 5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.031 3.339 3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.221 7.005 1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.120 7.647 2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 31 12.460 6.573 3.145 1.00 0.00 H new ATOM 441 N ILE A 32 7.326 3.090 4.458 1.00 0.00 N ATOM 442 CA ILE A 32 6.989 1.825 5.087 1.00 0.00 C ATOM 443 C ILE A 32 7.497 0.675 4.214 1.00 0.00 C ATOM 444 O ILE A 32 7.853 -0.387 4.726 1.00 0.00 O ATOM 445 CB ILE A 32 5.489 1.757 5.384 1.00 0.00 C ATOM 446 CG1 ILE A 32 5.068 2.874 6.340 1.00 0.00 C ATOM 447 CG2 ILE A 32 5.097 0.374 5.907 1.00 0.00 C ATOM 448 CD1 ILE A 32 6.091 3.046 7.466 1.00 0.00 C ATOM 0 H ILE A 32 6.609 3.811 4.540 1.00 0.00 H new ATOM 0 HA ILE A 32 7.486 1.735 6.053 1.00 0.00 H new ATOM 0 HB ILE A 32 4.948 1.913 4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.966 3.810 5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.090 2.646 6.764 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.026 0.352 6.110 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.340 -0.380 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.645 0.163 6.825 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.768 3.846 8.132 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.172 2.116 8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.062 3.298 7.040 1.00 0.00 H new ATOM 459 N GLY A 33 7.513 0.925 2.913 1.00 0.00 N ATOM 460 CA GLY A 33 7.971 -0.077 1.966 1.00 0.00 C ATOM 461 C GLY A 33 9.304 -0.683 2.409 1.00 0.00 C ATOM 462 O GLY A 33 9.649 -1.793 2.007 1.00 0.00 O ATOM 0 H GLY A 33 7.217 1.806 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.223 -0.864 1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.082 0.374 0.980 1.00 0.00 H new ATOM 466 N LEU A 34 10.018 0.074 3.231 1.00 0.00 N ATOM 467 CA LEU A 34 11.305 -0.375 3.734 1.00 0.00 C ATOM 468 C LEU A 34 11.100 -1.604 4.623 1.00 0.00 C ATOM 469 O LEU A 34 11.989 -2.445 4.739 1.00 0.00 O ATOM 470 CB LEU A 34 12.038 0.773 4.429 1.00 0.00 C ATOM 471 CG LEU A 34 13.167 1.428 3.632 1.00 0.00 C ATOM 472 CD1 LEU A 34 14.413 0.539 3.613 1.00 0.00 C ATOM 473 CD2 LEU A 34 12.703 1.791 2.220 1.00 0.00 C ATOM 0 H LEU A 34 9.729 0.995 3.561 1.00 0.00 H new ATOM 0 HA LEU A 34 11.950 -0.682 2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.308 1.541 4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.451 0.400 5.366 1.00 0.00 H new ATOM 0 HG LEU A 34 13.441 2.358 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.200 1.028 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.757 0.373 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 34 14.170 -0.418 3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.525 2.255 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.385 0.888 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.868 2.489 2.280 1.00 0.00 H new ATOM 484 N MET A 35 9.923 -1.666 5.230 1.00 0.00 N ATOM 485 CA MET A 35 9.591 -2.776 6.106 1.00 0.00 C ATOM 486 C MET A 35 8.665 -3.772 5.402 1.00 0.00 C ATOM 487 O MET A 35 8.506 -4.904 5.857 1.00 0.00 O ATOM 488 CB MET A 35 8.906 -2.245 7.366 1.00 0.00 C ATOM 489 CG MET A 35 9.754 -2.520 8.609 1.00 0.00 C ATOM 490 SD MET A 35 10.085 -0.994 9.473 1.00 0.00 S ATOM 491 CE MET A 35 11.650 -0.554 8.739 1.00 0.00 C ATOM 0 H MET A 35 9.188 -0.965 5.132 1.00 0.00 H new ATOM 0 HA MET A 35 10.513 -3.292 6.373 1.00 0.00 H new ATOM 0 HB2 MET A 35 8.736 -1.173 7.267 1.00 0.00 H new ATOM 0 HB3 MET A 35 7.928 -2.714 7.478 1.00 0.00 H new ATOM 0 HG2 MET A 35 9.233 -3.215 9.268 1.00 0.00 H new ATOM 0 HG3 MET A 35 10.692 -2.995 8.322 1.00 0.00 H new ATOM 0 HE1 MET A 35 12.003 0.383 9.169 1.00 0.00 H new ATOM 0 HE2 MET A 35 12.378 -1.341 8.936 1.00 0.00 H new ATOM 0 HE3 MET A 35 11.526 -0.435 7.663 1.00 0.00 H new ATOM 499 N VAL A 36 8.081 -3.313 4.305 1.00 0.00 N ATOM 500 CA VAL A 36 7.177 -4.149 3.534 1.00 0.00 C ATOM 501 C VAL A 36 7.950 -5.341 2.966 1.00 0.00 C ATOM 502 O VAL A 36 7.352 -6.286 2.453 1.00 0.00 O ATOM 503 CB VAL A 36 6.486 -3.315 2.454 1.00 0.00 C ATOM 504 CG1 VAL A 36 5.615 -4.195 1.553 1.00 0.00 C ATOM 505 CG2 VAL A 36 5.665 -2.184 3.075 1.00 0.00 C ATOM 0 H VAL A 36 8.216 -2.373 3.932 1.00 0.00 H new ATOM 0 HA VAL A 36 6.388 -4.548 4.172 1.00 0.00 H new ATOM 0 HB VAL A 36 7.261 -2.864 1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.136 -3.577 0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.237 -4.947 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.852 -4.688 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.185 -1.607 2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.903 -2.605 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.321 -1.533 3.652 1.00 0.00 H new ATOM 515 N GLY A 37 9.268 -5.258 3.077 1.00 0.00 N ATOM 516 CA GLY A 37 10.129 -6.319 2.581 1.00 0.00 C ATOM 517 C GLY A 37 11.567 -5.826 2.418 1.00 0.00 C ATOM 518 O GLY A 37 12.268 -6.238 1.496 1.00 0.00 O ATOM 0 H GLY A 37 9.761 -4.473 3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.106 -7.163 3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.753 -6.679 1.623 1.00 0.00 H new ATOM 522 N GLY A 38 11.965 -4.949 3.330 1.00 0.00 N ATOM 523 CA GLY A 38 13.308 -4.396 3.299 1.00 0.00 C ATOM 524 C GLY A 38 14.070 -4.732 4.582 1.00 0.00 C ATOM 525 O GLY A 38 14.404 -5.890 4.824 1.00 0.00 O ATOM 0 H GLY A 38 11.381 -4.609 4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.847 -4.790 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.257 -3.314 3.175 1.00 0.00 H new ATOM 529 N VAL A 39 14.323 -3.697 5.370 1.00 0.00 N ATOM 530 CA VAL A 39 15.039 -3.869 6.623 1.00 0.00 C ATOM 531 C VAL A 39 14.224 -4.769 7.552 1.00 0.00 C ATOM 532 O VAL A 39 14.738 -5.255 8.559 1.00 0.00 O ATOM 533 CB VAL A 39 15.353 -2.503 7.237 1.00 0.00 C ATOM 534 CG1 VAL A 39 16.080 -2.657 8.575 1.00 0.00 C ATOM 535 CG2 VAL A 39 16.165 -1.640 6.268 1.00 0.00 C ATOM 0 H VAL A 39 14.045 -2.737 5.165 1.00 0.00 H new ATOM 0 HA VAL A 39 15.996 -4.362 6.452 1.00 0.00 H new ATOM 0 HB VAL A 39 14.407 -1.995 7.426 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.291 -1.671 8.990 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.451 -3.215 9.269 1.00 0.00 H new ATOM 0 HG13 VAL A 39 17.016 -3.194 8.421 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.375 -0.675 6.729 1.00 0.00 H new ATOM 0 HG22 VAL A 39 17.104 -2.142 6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.595 -1.488 5.351 1.00 0.00 H new ATOM 545 N VAL A 40 12.966 -4.965 7.182 1.00 0.00 N ATOM 546 CA VAL A 40 12.075 -5.798 7.971 1.00 0.00 C ATOM 547 C VAL A 40 12.065 -5.301 9.417 1.00 0.00 C ATOM 548 O VAL A 40 12.859 -4.436 9.786 1.00 0.00 O ATOM 549 CB VAL A 40 12.486 -7.266 7.847 1.00 0.00 C ATOM 550 CG1 VAL A 40 13.048 -7.792 9.169 1.00 0.00 C ATOM 551 CG2 VAL A 40 11.313 -8.124 7.369 1.00 0.00 C ATOM 0 H VAL A 40 12.543 -4.561 6.346 1.00 0.00 H new ATOM 0 HA VAL A 40 11.054 -5.726 7.596 1.00 0.00 H new ATOM 0 HB VAL A 40 13.276 -7.331 7.099 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.332 -8.838 9.053 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.924 -7.207 9.451 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.289 -7.707 9.947 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.631 -9.163 7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.493 -8.050 8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.978 -7.771 6.394 1.00 0.00 H new ATOM 561 N ILE A 41 11.158 -5.867 10.198 1.00 0.00 N ATOM 562 CA ILE A 41 11.034 -5.492 11.596 1.00 0.00 C ATOM 563 C ILE A 41 11.230 -3.981 11.734 1.00 0.00 C ATOM 564 O ILE A 41 11.138 -3.248 10.751 1.00 0.00 O ATOM 565 CB ILE A 41 11.990 -6.318 12.460 1.00 0.00 C ATOM 566 CG1 ILE A 41 11.311 -6.768 13.753 1.00 0.00 C ATOM 567 CG2 ILE A 41 13.285 -5.550 12.730 1.00 0.00 C ATOM 568 CD1 ILE A 41 12.015 -7.990 14.347 1.00 0.00 C ATOM 0 H ILE A 41 10.501 -6.583 9.889 1.00 0.00 H new ATOM 0 HA ILE A 41 10.033 -5.719 11.963 1.00 0.00 H new ATOM 0 HB ILE A 41 12.258 -7.219 11.908 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.320 -5.952 14.476 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.266 -7.007 13.555 1.00 0.00 H new ATOM 0 HG21 ILE A 41 13.947 -6.158 13.346 1.00 0.00 H new ATOM 0 HG22 ILE A 41 13.777 -5.322 11.784 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.055 -4.621 13.253 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.511 -8.289 15.266 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.983 -8.812 13.632 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.053 -7.741 14.567 1.00 0.00 H new ATOM 579 N ALA A 42 11.497 -3.560 12.962 1.00 0.00 N ATOM 580 CA ALA A 42 11.707 -2.151 13.239 1.00 0.00 C ATOM 581 C ALA A 42 12.976 -1.677 12.526 1.00 0.00 C ATOM 582 O ALA A 42 13.889 -1.151 13.159 1.00 0.00 O ATOM 583 CB ALA A 42 11.775 -1.934 14.753 1.00 0.00 C ATOM 0 H ALA A 42 11.572 -4.171 13.775 1.00 0.00 H new ATOM 0 HA ALA A 42 10.875 -1.558 12.860 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.933 -0.876 14.962 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.840 -2.259 15.209 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.601 -2.513 15.167 1.00 0.00 H new TER 589 ALA A 42