USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 582 hydrogens (5 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.381 USER MOD Single : A 5 LYS NZ :NH3+ -160:sc= -0.0738 (180deg=-0.452) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 136:sc= -1.26 (180deg=-4.88!) USER MOD Single : A 38 LYS NZ :NH3+ -157:sc= 0.378 (180deg=0.185) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -137:sc= -0.209 (180deg=-1.6!) USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= -0.341 (180deg=-0.963) USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00753) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.147) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HTS O1 : rot 173:sc= 0.984 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.396 -5.537 11.650 1.00 0.00 N ATOM 2 CA GLY A 1 -16.384 -5.331 10.175 1.00 0.00 C ATOM 3 C GLY A 1 -14.984 -5.364 9.595 1.00 0.00 C ATOM 4 O GLY A 1 -14.721 -6.085 8.632 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.376 -5.506 11.997 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.979 -6.463 11.875 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.842 -4.787 12.110 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.989 -6.102 9.699 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.848 -4.373 9.942 1.00 0.00 H new ATOM 10 N SER A 2 -14.084 -4.582 10.181 1.00 0.00 N ATOM 11 CA SER A 2 -12.703 -4.524 9.716 1.00 0.00 C ATOM 12 C SER A 2 -12.637 -4.055 8.266 1.00 0.00 C ATOM 13 O SER A 2 -12.653 -4.865 7.340 1.00 0.00 O ATOM 14 CB SER A 2 -12.039 -5.897 9.854 1.00 0.00 C ATOM 15 OG SER A 2 -10.803 -5.798 10.539 1.00 0.00 O ATOM 0 H SER A 2 -14.286 -3.980 10.979 1.00 0.00 H new ATOM 0 HA SER A 2 -12.166 -3.805 10.335 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.703 -6.574 10.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.877 -6.327 8.866 1.00 0.00 H new ATOM 0 HG SER A 2 -10.399 -6.688 10.616 1.00 0.00 H new ATOM 21 N ARG A 3 -12.562 -2.741 8.077 1.00 0.00 N ATOM 22 CA ARG A 3 -12.494 -2.164 6.740 1.00 0.00 C ATOM 23 C ARG A 3 -11.304 -1.216 6.615 1.00 0.00 C ATOM 24 O ARG A 3 -10.290 -1.553 6.005 1.00 0.00 O ATOM 25 CB ARG A 3 -13.793 -1.424 6.414 1.00 0.00 C ATOM 26 CG ARG A 3 -14.487 -1.936 5.161 1.00 0.00 C ATOM 27 CD ARG A 3 -13.816 -1.414 3.900 1.00 0.00 C ATOM 28 NE ARG A 3 -14.336 -2.057 2.696 1.00 0.00 N ATOM 29 CZ ARG A 3 -15.516 -1.770 2.153 1.00 0.00 C ATOM 30 NH1 ARG A 3 -16.301 -0.851 2.703 1.00 0.00 N ATOM 31 NH2 ARG A 3 -15.913 -2.402 1.057 1.00 0.00 N ATOM 0 H ARG A 3 -12.547 -2.056 8.833 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.361 -2.977 6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.475 -1.514 7.260 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.576 -0.363 6.291 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.475 -3.026 5.157 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.533 -1.629 5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.966 -0.337 3.829 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.741 -1.582 3.965 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.760 -2.768 2.245 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.000 -0.361 3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -17.205 -0.635 2.283 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.314 -3.108 0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -16.818 -2.182 0.641 1.00 0.00 H new ATOM 45 N VAL A 4 -11.436 -0.028 7.197 1.00 0.00 N ATOM 46 CA VAL A 4 -10.373 0.968 7.151 1.00 0.00 C ATOM 47 C VAL A 4 -9.330 0.713 8.233 1.00 0.00 C ATOM 48 O VAL A 4 -8.128 0.741 7.969 1.00 0.00 O ATOM 49 CB VAL A 4 -10.930 2.394 7.316 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.843 3.427 7.061 1.00 0.00 C ATOM 51 CG2 VAL A 4 -12.114 2.615 6.387 1.00 0.00 C ATOM 0 H VAL A 4 -12.269 0.268 7.706 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.903 0.881 6.171 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.276 2.512 8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.257 4.428 7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.029 3.282 7.772 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.463 3.312 6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.495 3.628 6.517 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.796 2.477 5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.901 1.899 6.624 1.00 0.00 H new ATOM 61 N LYS A 5 -9.797 0.464 9.453 1.00 0.00 N ATOM 62 CA LYS A 5 -8.903 0.202 10.576 1.00 0.00 C ATOM 63 C LYS A 5 -7.948 -0.942 10.253 1.00 0.00 C ATOM 64 O LYS A 5 -6.812 -0.971 10.728 1.00 0.00 O ATOM 65 CB LYS A 5 -9.712 -0.129 11.831 1.00 0.00 C ATOM 66 CG LYS A 5 -8.853 -0.414 13.054 1.00 0.00 C ATOM 67 CD LYS A 5 -8.639 -1.906 13.249 1.00 0.00 C ATOM 68 CE LYS A 5 -9.910 -2.593 13.723 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.350 -2.092 15.054 1.00 0.00 N ATOM 0 H LYS A 5 -10.789 0.438 9.689 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.314 1.101 10.760 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.379 0.704 12.053 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.341 -0.996 11.629 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.888 0.082 12.946 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.329 0.005 13.940 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.310 -2.353 12.311 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.843 -2.069 13.976 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.704 -2.431 12.994 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.742 -3.669 13.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.989 -2.786 15.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.520 -1.953 15.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.849 -1.187 14.937 1.00 0.00 H new ATOM 83 N ALA A 6 -8.416 -1.882 9.439 1.00 0.00 N ATOM 84 CA ALA A 6 -7.607 -3.028 9.047 1.00 0.00 C ATOM 85 C ALA A 6 -6.689 -2.679 7.879 1.00 0.00 C ATOM 86 O ALA A 6 -5.640 -3.293 7.697 1.00 0.00 O ATOM 87 CB ALA A 6 -8.502 -4.207 8.689 1.00 0.00 C ATOM 0 H ALA A 6 -9.354 -1.872 9.038 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.980 -3.307 9.894 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.885 -5.057 8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.109 -4.478 9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.153 -3.931 7.860 1.00 0.00 H new ATOM 93 N LEU A 7 -7.095 -1.692 7.087 1.00 0.00 N ATOM 94 CA LEU A 7 -6.312 -1.261 5.934 1.00 0.00 C ATOM 95 C LEU A 7 -4.965 -0.689 6.366 1.00 0.00 C ATOM 96 O LEU A 7 -3.976 -0.787 5.640 1.00 0.00 O ATOM 97 CB LEU A 7 -7.089 -0.216 5.132 1.00 0.00 C ATOM 98 CG LEU A 7 -6.911 -0.299 3.616 1.00 0.00 C ATOM 99 CD1 LEU A 7 -7.773 0.744 2.919 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.448 -0.121 3.242 1.00 0.00 C ATOM 0 H LEU A 7 -7.963 -1.175 7.223 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.127 -2.133 5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.149 -0.317 5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.783 0.776 5.465 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.233 -1.286 3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.633 0.670 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.821 0.571 3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.483 1.739 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.339 -0.183 2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.100 0.853 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.854 -0.905 3.712 1.00 0.00 H new ATOM 112 N GLU A 8 -4.935 -0.085 7.551 1.00 0.00 N ATOM 113 CA GLU A 8 -3.709 0.508 8.075 1.00 0.00 C ATOM 114 C GLU A 8 -2.708 -0.567 8.486 1.00 0.00 C ATOM 115 O GLU A 8 -1.499 -0.382 8.364 1.00 0.00 O ATOM 116 CB GLU A 8 -4.026 1.407 9.272 1.00 0.00 C ATOM 117 CG GLU A 8 -4.891 2.606 8.920 1.00 0.00 C ATOM 118 CD GLU A 8 -5.500 3.265 10.143 1.00 0.00 C ATOM 119 OE1 GLU A 8 -4.740 3.852 10.941 1.00 0.00 O ATOM 120 OE2 GLU A 8 -6.737 3.190 10.304 1.00 0.00 O ATOM 0 H GLU A 8 -5.744 0.006 8.165 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.261 1.107 7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.532 0.816 10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.092 1.759 9.709 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.290 3.337 8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.688 2.289 8.248 1.00 0.00 H new ATOM 127 N GLU A 9 -3.221 -1.690 8.979 1.00 0.00 N ATOM 128 CA GLU A 9 -2.374 -2.795 9.413 1.00 0.00 C ATOM 129 C GLU A 9 -1.840 -3.594 8.222 1.00 0.00 C ATOM 130 O GLU A 9 -0.860 -4.329 8.346 1.00 0.00 O ATOM 131 CB GLU A 9 -3.151 -3.719 10.360 1.00 0.00 C ATOM 132 CG GLU A 9 -4.243 -4.527 9.677 1.00 0.00 C ATOM 133 CD GLU A 9 -4.382 -5.923 10.255 1.00 0.00 C ATOM 134 OE1 GLU A 9 -4.248 -6.070 11.488 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.624 -6.867 9.475 1.00 0.00 O ATOM 0 H GLU A 9 -4.221 -1.859 9.088 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.521 -2.371 9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.451 -4.404 10.838 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.599 -3.118 11.151 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.193 -4.001 9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.025 -4.599 8.611 1.00 0.00 H new ATOM 142 N LYS A 10 -2.499 -3.457 7.076 1.00 0.00 N ATOM 143 CA LYS A 10 -2.100 -4.178 5.871 1.00 0.00 C ATOM 144 C LYS A 10 -0.914 -3.510 5.176 1.00 0.00 C ATOM 145 O LYS A 10 -0.030 -4.189 4.657 1.00 0.00 O ATOM 146 CB LYS A 10 -3.283 -4.269 4.904 1.00 0.00 C ATOM 147 CG LYS A 10 -3.973 -5.624 4.917 1.00 0.00 C ATOM 148 CD LYS A 10 -5.486 -5.481 4.976 1.00 0.00 C ATOM 149 CE LYS A 10 -6.033 -4.800 3.732 1.00 0.00 C ATOM 150 NZ LYS A 10 -7.274 -5.458 3.239 1.00 0.00 N ATOM 0 H LYS A 10 -3.312 -2.853 6.956 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.790 -5.179 6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.010 -3.497 5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.933 -4.058 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.694 -6.183 4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.628 -6.201 5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.941 -6.466 5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.763 -4.905 5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.240 -3.753 3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.277 -4.816 2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.615 -4.964 2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.071 -6.450 3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.004 -5.420 3.978 1.00 0.00 H new ATOM 164 N VAL A 11 -0.911 -2.181 5.153 1.00 0.00 N ATOM 165 CA VAL A 11 0.160 -1.432 4.501 1.00 0.00 C ATOM 166 C VAL A 11 1.409 -1.347 5.367 1.00 0.00 C ATOM 167 O VAL A 11 2.522 -1.261 4.854 1.00 0.00 O ATOM 168 CB VAL A 11 -0.291 -0.006 4.126 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.752 0.672 3.250 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.644 -0.040 3.432 1.00 0.00 C ATOM 0 H VAL A 11 -1.635 -1.601 5.577 1.00 0.00 H new ATOM 0 HA VAL A 11 0.402 -1.983 3.592 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.394 0.576 5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.416 1.677 2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.697 0.731 3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.891 0.094 2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.947 0.975 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.572 -0.639 2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.384 -0.481 4.100 1.00 0.00 H new ATOM 180 N LYS A 12 1.222 -1.367 6.676 1.00 0.00 N ATOM 181 CA LYS A 12 2.344 -1.295 7.605 1.00 0.00 C ATOM 182 C LYS A 12 3.212 -2.539 7.474 1.00 0.00 C ATOM 183 O LYS A 12 4.436 -2.474 7.587 1.00 0.00 O ATOM 184 CB LYS A 12 1.846 -1.143 9.045 1.00 0.00 C ATOM 185 CG LYS A 12 1.136 -2.375 9.582 1.00 0.00 C ATOM 186 CD LYS A 12 0.822 -2.235 11.063 1.00 0.00 C ATOM 187 CE LYS A 12 0.156 -3.486 11.611 1.00 0.00 C ATOM 188 NZ LYS A 12 -0.576 -3.216 12.880 1.00 0.00 N ATOM 0 H LYS A 12 0.307 -1.432 7.122 1.00 0.00 H new ATOM 0 HA LYS A 12 2.943 -0.419 7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.694 -0.914 9.690 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.167 -0.292 9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.212 -2.535 9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.760 -3.254 9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.742 -2.040 11.614 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.169 -1.376 11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.537 -3.882 10.869 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.911 -4.253 11.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.016 -4.095 13.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.090 -2.862 13.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.314 -2.503 12.710 1.00 0.00 H new ATOM 202 N ALA A 13 2.565 -3.667 7.202 1.00 0.00 N ATOM 203 CA ALA A 13 3.273 -4.927 7.017 1.00 0.00 C ATOM 204 C ALA A 13 3.818 -5.003 5.598 1.00 0.00 C ATOM 205 O ALA A 13 4.799 -5.695 5.323 1.00 0.00 O ATOM 206 CB ALA A 13 2.351 -6.104 7.302 1.00 0.00 C ATOM 0 H ALA A 13 1.552 -3.734 7.105 1.00 0.00 H new ATOM 0 HA ALA A 13 4.106 -4.974 7.719 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.897 -7.037 7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.995 -6.046 8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.500 -6.073 6.621 1.00 0.00 H new ATOM 212 N LEU A 14 3.162 -4.270 4.706 1.00 0.00 N ATOM 213 CA LEU A 14 3.540 -4.209 3.306 1.00 0.00 C ATOM 214 C LEU A 14 4.898 -3.528 3.138 1.00 0.00 C ATOM 215 O LEU A 14 5.611 -3.769 2.164 1.00 0.00 O ATOM 216 CB LEU A 14 2.459 -3.447 2.539 1.00 0.00 C ATOM 217 CG LEU A 14 2.329 -3.785 1.055 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.024 -3.232 0.503 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.512 -3.243 0.269 1.00 0.00 C ATOM 0 H LEU A 14 2.349 -3.700 4.939 1.00 0.00 H new ATOM 0 HA LEU A 14 3.629 -5.221 2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.499 -3.635 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.659 -2.380 2.632 1.00 0.00 H new ATOM 0 HG LEU A 14 2.323 -4.870 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.943 -3.479 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.185 -3.671 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.007 -2.149 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.396 -3.497 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.556 -2.159 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.434 -3.684 0.649 1.00 0.00 H new ATOM 231 N GLU A 15 5.247 -2.675 4.098 1.00 0.00 N ATOM 232 CA GLU A 15 6.513 -1.954 4.066 1.00 0.00 C ATOM 233 C GLU A 15 7.670 -2.862 4.470 1.00 0.00 C ATOM 234 O GLU A 15 8.712 -2.886 3.814 1.00 0.00 O ATOM 235 CB GLU A 15 6.442 -0.737 4.995 1.00 0.00 C ATOM 236 CG GLU A 15 7.769 -0.012 5.163 1.00 0.00 C ATOM 237 CD GLU A 15 7.648 1.226 6.031 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.981 2.190 5.602 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.223 1.231 7.140 1.00 0.00 O ATOM 0 H GLU A 15 4.667 -2.467 4.910 1.00 0.00 H new ATOM 0 HA GLU A 15 6.692 -1.616 3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.703 -0.037 4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.089 -1.060 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.498 -0.692 5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.151 0.272 4.182 1.00 0.00 H new ATOM 246 N GLU A 16 7.482 -3.609 5.553 1.00 0.00 N ATOM 247 CA GLU A 16 8.510 -4.520 6.045 1.00 0.00 C ATOM 248 C GLU A 16 9.008 -5.439 4.931 1.00 0.00 C ATOM 249 O GLU A 16 10.145 -5.909 4.963 1.00 0.00 O ATOM 250 CB GLU A 16 7.968 -5.354 7.206 1.00 0.00 C ATOM 251 CG GLU A 16 7.270 -4.527 8.274 1.00 0.00 C ATOM 252 CD GLU A 16 7.078 -5.291 9.570 1.00 0.00 C ATOM 253 OE1 GLU A 16 8.061 -5.435 10.326 1.00 0.00 O ATOM 254 OE2 GLU A 16 5.943 -5.746 9.829 1.00 0.00 O ATOM 0 H GLU A 16 6.626 -3.602 6.108 1.00 0.00 H new ATOM 0 HA GLU A 16 9.350 -3.921 6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.269 -6.094 6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.791 -5.903 7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.853 -3.627 8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.299 -4.203 7.900 1.00 0.00 H new ATOM 261 N LYS A 17 8.148 -5.690 3.949 1.00 0.00 N ATOM 262 CA LYS A 17 8.500 -6.552 2.826 1.00 0.00 C ATOM 263 C LYS A 17 9.418 -5.827 1.844 1.00 0.00 C ATOM 264 O LYS A 17 10.400 -6.394 1.365 1.00 0.00 O ATOM 265 CB LYS A 17 7.238 -7.027 2.105 1.00 0.00 C ATOM 266 CG LYS A 17 7.388 -8.388 1.446 1.00 0.00 C ATOM 267 CD LYS A 17 7.118 -9.516 2.429 1.00 0.00 C ATOM 268 CE LYS A 17 8.403 -10.015 3.071 1.00 0.00 C ATOM 269 NZ LYS A 17 8.271 -11.415 3.560 1.00 0.00 N ATOM 0 H LYS A 17 7.203 -5.309 3.908 1.00 0.00 H new ATOM 0 HA LYS A 17 9.033 -7.417 3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.415 -7.067 2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.966 -6.293 1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.699 -8.464 0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.396 -8.489 1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.434 -9.169 3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.624 -10.339 1.913 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.216 -9.958 2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.670 -9.363 3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.168 -11.718 3.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.512 -11.465 4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.041 -12.041 2.762 1.00 0.00 H new ATOM 283 N VAL A 18 9.088 -4.574 1.547 1.00 0.00 N ATOM 284 CA VAL A 18 9.883 -3.776 0.618 1.00 0.00 C ATOM 285 C VAL A 18 11.161 -3.271 1.277 1.00 0.00 C ATOM 286 O VAL A 18 12.264 -3.534 0.800 1.00 0.00 O ATOM 287 CB VAL A 18 9.095 -2.568 0.084 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.694 -2.078 -1.227 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.623 -2.911 -0.092 1.00 0.00 C ATOM 0 H VAL A 18 8.278 -4.090 1.934 1.00 0.00 H new ATOM 0 HA VAL A 18 10.135 -4.434 -0.214 1.00 0.00 H new ATOM 0 HB VAL A 18 9.167 -1.765 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.124 -1.223 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.730 -1.781 -1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.657 -2.879 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.089 -2.039 -0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.523 -3.734 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.201 -3.206 0.869 1.00 0.00 H new ATOM 299 N LYS A 19 11.006 -2.541 2.376 1.00 0.00 N ATOM 300 CA LYS A 19 12.151 -1.997 3.095 1.00 0.00 C ATOM 301 C LYS A 19 13.163 -3.089 3.430 1.00 0.00 C ATOM 302 O LYS A 19 14.347 -2.813 3.623 1.00 0.00 O ATOM 303 CB LYS A 19 11.693 -1.297 4.375 1.00 0.00 C ATOM 304 CG LYS A 19 11.167 0.111 4.140 1.00 0.00 C ATOM 305 CD LYS A 19 11.895 1.132 5.001 1.00 0.00 C ATOM 306 CE LYS A 19 11.346 1.155 6.419 1.00 0.00 C ATOM 307 NZ LYS A 19 11.462 2.503 7.039 1.00 0.00 N ATOM 0 H LYS A 19 10.101 -2.313 2.787 1.00 0.00 H new ATOM 0 HA LYS A 19 12.638 -1.269 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.913 -1.894 4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.528 -1.253 5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.283 0.372 3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.100 0.143 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.959 0.897 5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.797 2.122 4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.300 0.850 6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.884 0.428 7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.077 2.475 8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.463 2.784 7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.928 3.193 6.473 1.00 0.00 H new ATOM 321 N ALA A 20 12.693 -4.330 3.494 1.00 0.00 N ATOM 322 CA ALA A 20 13.560 -5.460 3.797 1.00 0.00 C ATOM 323 C ALA A 20 14.155 -6.054 2.523 1.00 0.00 C ATOM 324 O ALA A 20 15.148 -6.780 2.572 1.00 0.00 O ATOM 325 CB ALA A 20 12.791 -6.523 4.568 1.00 0.00 C ATOM 0 H ALA A 20 11.716 -4.578 3.340 1.00 0.00 H new ATOM 0 HA ALA A 20 14.381 -5.100 4.416 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.451 -7.362 4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.420 -6.099 5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.950 -6.871 3.968 1.00 0.00 H new ATOM 331 N LEU A 21 13.543 -5.742 1.383 1.00 0.00 N ATOM 332 CA LEU A 21 14.019 -6.246 0.100 1.00 0.00 C ATOM 333 C LEU A 21 14.775 -5.163 -0.665 1.00 0.00 C ATOM 334 O LEU A 21 14.783 -3.999 -0.266 1.00 0.00 O ATOM 335 CB LEU A 21 12.843 -6.777 -0.736 1.00 0.00 C ATOM 336 CG LEU A 21 12.057 -5.724 -1.522 1.00 0.00 C ATOM 337 CD1 LEU A 21 12.771 -5.380 -2.820 1.00 0.00 C ATOM 338 CD2 LEU A 21 10.646 -6.218 -1.808 1.00 0.00 C ATOM 0 H LEU A 21 12.719 -5.144 1.323 1.00 0.00 H new ATOM 0 HA LEU A 21 14.709 -7.068 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.226 -7.517 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.153 -7.296 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 21 11.993 -4.821 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.196 -4.630 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.762 -4.986 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 21 12.867 -6.277 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.101 -5.458 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.694 -7.136 -2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.132 -6.415 -0.867 1.00 0.00 H new ATOM 350 N GLY A 22 15.408 -5.556 -1.766 1.00 0.00 N ATOM 351 CA GLY A 22 16.155 -4.607 -2.570 1.00 0.00 C ATOM 352 C GLY A 22 16.772 -5.246 -3.799 1.00 0.00 C ATOM 353 O GLY A 22 17.175 -6.409 -3.767 1.00 0.00 O ATOM 0 H GLY A 22 15.417 -6.514 -2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 22 15.494 -3.797 -2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.942 -4.161 -1.962 1.00 0.00 H new ATOM 357 N GLY A 23 16.846 -4.484 -4.886 1.00 0.00 N ATOM 358 CA GLY A 23 17.420 -5.001 -6.115 1.00 0.00 C ATOM 359 C GLY A 23 16.377 -5.240 -7.189 1.00 0.00 C ATOM 360 O GLY A 23 15.846 -6.344 -7.312 1.00 0.00 O ATOM 0 H GLY A 23 16.519 -3.519 -4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 23 18.165 -4.298 -6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.940 -5.935 -5.904 1.00 0.00 H new ATOM 364 N GLY A 24 16.083 -4.205 -7.969 1.00 0.00 N ATOM 365 CA GLY A 24 15.099 -4.331 -9.028 1.00 0.00 C ATOM 366 C GLY A 24 14.393 -3.023 -9.325 1.00 0.00 C ATOM 367 O GLY A 24 13.979 -2.311 -8.408 1.00 0.00 O ATOM 0 H GLY A 24 16.508 -3.282 -7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.589 -4.689 -9.933 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.361 -5.082 -8.746 1.00 0.00 H new ATOM 371 N GLY A 25 14.254 -2.704 -10.607 1.00 0.00 N ATOM 372 CA GLY A 25 13.593 -1.474 -11.001 1.00 0.00 C ATOM 373 C GLY A 25 12.157 -1.404 -10.518 1.00 0.00 C ATOM 374 O GLY A 25 11.685 -0.344 -10.107 1.00 0.00 O ATOM 0 H GLY A 25 14.588 -3.277 -11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.148 -0.624 -10.604 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.612 -1.387 -12.087 1.00 0.00 H new ATOM 378 N ARG A 26 11.462 -2.536 -10.569 1.00 0.00 N ATOM 379 CA ARG A 26 10.070 -2.599 -10.134 1.00 0.00 C ATOM 380 C ARG A 26 9.921 -2.115 -8.693 1.00 0.00 C ATOM 381 O ARG A 26 8.865 -1.621 -8.301 1.00 0.00 O ATOM 382 CB ARG A 26 9.531 -4.029 -10.267 1.00 0.00 C ATOM 383 CG ARG A 26 10.036 -4.982 -9.192 1.00 0.00 C ATOM 384 CD ARG A 26 11.529 -5.232 -9.328 1.00 0.00 C ATOM 385 NE ARG A 26 11.950 -6.455 -8.645 1.00 0.00 N ATOM 386 CZ ARG A 26 12.058 -7.642 -9.239 1.00 0.00 C ATOM 387 NH1 ARG A 26 11.754 -7.784 -10.525 1.00 0.00 N ATOM 388 NH2 ARG A 26 12.464 -8.695 -8.543 1.00 0.00 N ATOM 0 H ARG A 26 11.839 -3.422 -10.907 1.00 0.00 H new ATOM 0 HA ARG A 26 9.488 -1.939 -10.778 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.442 -4.001 -10.231 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.808 -4.421 -11.246 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.824 -4.567 -8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.499 -5.928 -9.262 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.789 -5.300 -10.384 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.076 -4.383 -8.919 1.00 0.00 H new ATOM 0 HE ARG A 26 12.175 -6.395 -7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.435 -6.980 -11.065 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.840 -8.697 -10.972 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.693 -8.595 -7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.547 -9.605 -8.997 1.00 0.00 H new ATOM 402 N ILE A 27 10.983 -2.267 -7.910 1.00 0.00 N ATOM 403 CA ILE A 27 10.969 -1.854 -6.513 1.00 0.00 C ATOM 404 C ILE A 27 10.817 -0.342 -6.379 1.00 0.00 C ATOM 405 O ILE A 27 10.272 0.150 -5.392 1.00 0.00 O ATOM 406 CB ILE A 27 12.251 -2.299 -5.778 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.478 -3.801 -5.964 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.165 -1.952 -4.297 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.845 -4.267 -5.512 1.00 0.00 C ATOM 0 H ILE A 27 11.865 -2.674 -8.220 1.00 0.00 H new ATOM 0 HA ILE A 27 10.109 -2.341 -6.054 1.00 0.00 H new ATOM 0 HB ILE A 27 13.099 -1.765 -6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.715 -4.347 -5.409 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.347 -4.052 -7.017 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.077 -2.273 -3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.047 -0.874 -4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.309 -2.460 -3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.935 -5.341 -5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.614 -3.748 -6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.972 -4.048 -4.452 1.00 0.00 H new ATOM 421 N GLU A 28 11.314 0.392 -7.370 1.00 0.00 N ATOM 422 CA GLU A 28 11.244 1.849 -7.353 1.00 0.00 C ATOM 423 C GLU A 28 9.799 2.346 -7.400 1.00 0.00 C ATOM 424 O GLU A 28 9.371 3.099 -6.530 1.00 0.00 O ATOM 425 CB GLU A 28 12.030 2.432 -8.530 1.00 0.00 C ATOM 426 CG GLU A 28 12.788 3.703 -8.184 1.00 0.00 C ATOM 427 CD GLU A 28 14.151 3.423 -7.585 1.00 0.00 C ATOM 428 OE1 GLU A 28 14.898 2.607 -8.164 1.00 0.00 O ATOM 429 OE2 GLU A 28 14.473 4.020 -6.535 1.00 0.00 O ATOM 0 H GLU A 28 11.770 0.002 -8.195 1.00 0.00 H new ATOM 0 HA GLU A 28 11.687 2.187 -6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.736 1.684 -8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.341 2.641 -9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.908 4.307 -9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.200 4.292 -7.480 1.00 0.00 H new ATOM 436 N GLU A 29 9.056 1.927 -8.420 1.00 0.00 N ATOM 437 CA GLU A 29 7.663 2.343 -8.572 1.00 0.00 C ATOM 438 C GLU A 29 6.821 1.913 -7.373 1.00 0.00 C ATOM 439 O GLU A 29 5.819 2.550 -7.048 1.00 0.00 O ATOM 440 CB GLU A 29 7.073 1.757 -9.860 1.00 0.00 C ATOM 441 CG GLU A 29 5.582 2.020 -10.029 1.00 0.00 C ATOM 442 CD GLU A 29 5.235 2.544 -11.409 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.477 1.819 -12.397 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.721 3.678 -11.501 1.00 0.00 O ATOM 0 H GLU A 29 9.393 1.302 -9.152 1.00 0.00 H new ATOM 0 HA GLU A 29 7.644 3.431 -8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.605 2.174 -10.715 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.246 0.681 -9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.031 1.098 -9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.257 2.740 -9.278 1.00 0.00 H new ATOM 451 N LEU A 30 7.228 0.829 -6.728 1.00 0.00 N ATOM 452 CA LEU A 30 6.506 0.310 -5.573 1.00 0.00 C ATOM 453 C LEU A 30 6.776 1.140 -4.321 1.00 0.00 C ATOM 454 O LEU A 30 5.996 1.108 -3.372 1.00 0.00 O ATOM 455 CB LEU A 30 6.896 -1.147 -5.318 1.00 0.00 C ATOM 456 CG LEU A 30 6.506 -2.124 -6.426 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.136 -3.486 -6.181 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.993 -2.244 -6.522 1.00 0.00 C ATOM 0 H LEU A 30 8.055 0.291 -6.985 1.00 0.00 H new ATOM 0 HA LEU A 30 5.441 0.370 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.975 -1.198 -5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.433 -1.474 -4.387 1.00 0.00 H new ATOM 0 HG LEU A 30 6.881 -1.738 -7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.848 -4.169 -6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.221 -3.387 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.791 -3.880 -5.225 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.733 -2.944 -7.316 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.596 -2.607 -5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.564 -1.267 -6.745 1.00 0.00 H new ATOM 470 N LYS A 31 7.887 1.867 -4.318 1.00 0.00 N ATOM 471 CA LYS A 31 8.262 2.689 -3.172 1.00 0.00 C ATOM 472 C LYS A 31 7.470 3.994 -3.126 1.00 0.00 C ATOM 473 O LYS A 31 6.775 4.270 -2.156 1.00 0.00 O ATOM 474 CB LYS A 31 9.759 2.993 -3.218 1.00 0.00 C ATOM 475 CG LYS A 31 10.244 3.831 -2.050 1.00 0.00 C ATOM 476 CD LYS A 31 11.628 3.400 -1.592 1.00 0.00 C ATOM 477 CE LYS A 31 12.315 4.493 -0.790 1.00 0.00 C ATOM 478 NZ LYS A 31 13.021 5.466 -1.666 1.00 0.00 N ATOM 0 H LYS A 31 8.545 1.905 -5.097 1.00 0.00 H new ATOM 0 HA LYS A 31 8.027 2.125 -2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.312 2.054 -3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.987 3.514 -4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.266 4.882 -2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.542 3.743 -1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.547 2.498 -0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.237 3.147 -2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.576 5.019 -0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.028 4.043 -0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.476 6.195 -1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.744 4.969 -2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.337 5.915 -2.308 1.00 0.00 H new ATOM 492 N LYS A 32 7.592 4.799 -4.175 1.00 0.00 N ATOM 493 CA LYS A 32 6.901 6.084 -4.250 1.00 0.00 C ATOM 494 C LYS A 32 5.406 5.943 -3.964 1.00 0.00 C ATOM 495 O LYS A 32 4.796 6.818 -3.349 1.00 0.00 O ATOM 496 CB LYS A 32 7.106 6.707 -5.634 1.00 0.00 C ATOM 497 CG LYS A 32 7.403 8.198 -5.592 1.00 0.00 C ATOM 498 CD LYS A 32 6.262 9.014 -6.179 1.00 0.00 C ATOM 499 CE LYS A 32 6.486 10.505 -5.986 1.00 0.00 C ATOM 500 NZ LYS A 32 7.395 11.073 -7.020 1.00 0.00 N ATOM 0 H LYS A 32 8.166 4.584 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 32 7.328 6.733 -3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.927 6.195 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.212 6.540 -6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.578 8.506 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.319 8.403 -6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.166 8.794 -7.242 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.324 8.722 -5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.528 11.023 -6.022 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.907 10.683 -4.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.520 12.091 -6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.319 10.598 -6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.982 10.927 -7.963 1.00 0.00 H new ATOM 514 N LYS A 33 4.821 4.846 -4.427 1.00 0.00 N ATOM 515 CA LYS A 33 3.395 4.593 -4.241 1.00 0.00 C ATOM 516 C LYS A 33 3.089 4.003 -2.863 1.00 0.00 C ATOM 517 O LYS A 33 1.968 4.115 -2.372 1.00 0.00 O ATOM 518 CB LYS A 33 2.881 3.656 -5.334 1.00 0.00 C ATOM 519 CG LYS A 33 1.495 4.018 -5.842 1.00 0.00 C ATOM 520 CD LYS A 33 0.857 2.858 -6.590 1.00 0.00 C ATOM 521 CE LYS A 33 0.675 1.647 -5.689 1.00 0.00 C ATOM 522 NZ LYS A 33 -0.622 0.960 -5.941 1.00 0.00 N ATOM 0 H LYS A 33 5.314 4.113 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 33 2.883 5.553 -4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.580 3.668 -6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.863 2.637 -4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.861 4.304 -5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.562 4.884 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.110 3.167 -6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.479 2.588 -7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.495 0.947 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.724 1.959 -4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.470 -0.068 -5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.291 1.190 -5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.012 1.278 -6.851 1.00 0.00 H new ATOM 536 N CYS A 34 4.076 3.346 -2.263 1.00 0.00 N ATOM 537 CA CYS A 34 3.895 2.709 -0.957 1.00 0.00 C ATOM 538 C CYS A 34 3.626 3.721 0.161 1.00 0.00 C ATOM 539 O CYS A 34 2.612 3.635 0.854 1.00 0.00 O ATOM 540 CB CYS A 34 5.140 1.892 -0.607 1.00 0.00 C ATOM 541 SG CYS A 34 4.802 0.139 -0.251 1.00 0.00 S ATOM 0 H CYS A 34 5.010 3.239 -2.658 1.00 0.00 H new ATOM 0 HA CYS A 34 3.020 2.064 -1.034 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.847 1.954 -1.435 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.624 2.341 0.260 1.00 0.00 H new ATOM 546 N GLU A 35 4.550 4.657 0.347 1.00 0.00 N ATOM 547 CA GLU A 35 4.428 5.663 1.401 1.00 0.00 C ATOM 548 C GLU A 35 3.287 6.638 1.130 1.00 0.00 C ATOM 549 O GLU A 35 2.541 6.990 2.039 1.00 0.00 O ATOM 550 CB GLU A 35 5.741 6.428 1.562 1.00 0.00 C ATOM 551 CG GLU A 35 6.280 6.981 0.256 1.00 0.00 C ATOM 552 CD GLU A 35 6.513 8.478 0.305 1.00 0.00 C ATOM 553 OE1 GLU A 35 7.223 8.939 1.223 1.00 0.00 O ATOM 554 OE2 GLU A 35 5.985 9.190 -0.575 1.00 0.00 O ATOM 0 H GLU A 35 5.394 4.742 -0.219 1.00 0.00 H new ATOM 0 HA GLU A 35 4.201 5.135 2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.590 7.250 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.487 5.767 2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.217 6.480 0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.579 6.753 -0.547 1.00 0.00 H new ATOM 561 N GLU A 36 3.157 7.075 -0.115 1.00 0.00 N ATOM 562 CA GLU A 36 2.103 8.012 -0.486 1.00 0.00 C ATOM 563 C GLU A 36 0.724 7.422 -0.201 1.00 0.00 C ATOM 564 O GLU A 36 -0.239 8.147 0.043 1.00 0.00 O ATOM 565 CB GLU A 36 2.217 8.382 -1.966 1.00 0.00 C ATOM 566 CG GLU A 36 1.501 9.674 -2.327 1.00 0.00 C ATOM 567 CD GLU A 36 0.497 9.493 -3.448 1.00 0.00 C ATOM 568 OE1 GLU A 36 0.860 8.887 -4.479 1.00 0.00 O ATOM 569 OE2 GLU A 36 -0.653 9.956 -3.296 1.00 0.00 O ATOM 0 H GLU A 36 3.766 6.797 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 36 2.224 8.912 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.271 8.475 -2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.809 7.570 -2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.989 10.060 -1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.237 10.422 -2.621 1.00 0.00 H new ATOM 576 N LEU A 37 0.641 6.099 -0.251 1.00 0.00 N ATOM 577 CA LEU A 37 -0.611 5.390 -0.017 1.00 0.00 C ATOM 578 C LEU A 37 -1.051 5.494 1.444 1.00 0.00 C ATOM 579 O LEU A 37 -2.224 5.734 1.730 1.00 0.00 O ATOM 580 CB LEU A 37 -0.451 3.920 -0.425 1.00 0.00 C ATOM 581 CG LEU A 37 -1.499 2.953 0.134 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.906 3.474 -0.121 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.322 1.572 -0.478 1.00 0.00 C ATOM 0 H LEU A 37 1.434 5.490 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.388 5.854 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.474 3.860 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.535 3.580 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.356 2.877 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.633 2.771 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.029 4.443 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.065 3.582 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.073 0.895 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.438 1.636 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.327 1.194 -0.242 1.00 0.00 H new ATOM 595 N LYS A 38 -0.110 5.302 2.364 1.00 0.00 N ATOM 596 CA LYS A 38 -0.414 5.364 3.792 1.00 0.00 C ATOM 597 C LYS A 38 -0.968 6.732 4.189 1.00 0.00 C ATOM 598 O LYS A 38 -2.075 6.834 4.718 1.00 0.00 O ATOM 599 CB LYS A 38 0.841 5.050 4.612 1.00 0.00 C ATOM 600 CG LYS A 38 0.783 3.705 5.319 1.00 0.00 C ATOM 601 CD LYS A 38 1.889 3.571 6.353 1.00 0.00 C ATOM 602 CE LYS A 38 3.083 2.810 5.799 1.00 0.00 C ATOM 603 NZ LYS A 38 4.170 2.669 6.807 1.00 0.00 N ATOM 0 H LYS A 38 0.867 5.103 2.148 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.180 4.618 4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.709 5.068 3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.987 5.835 5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.186 3.589 5.804 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.870 2.903 4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.207 4.562 6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.505 3.056 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.762 1.821 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.468 3.328 4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.076 2.513 6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.228 3.536 7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.966 1.859 7.427 1.00 0.00 H new ATOM 617 N LYS A 39 -0.191 7.779 3.934 1.00 0.00 N ATOM 618 CA LYS A 39 -0.597 9.139 4.266 1.00 0.00 C ATOM 619 C LYS A 39 -1.956 9.475 3.655 1.00 0.00 C ATOM 620 O LYS A 39 -2.695 10.304 4.184 1.00 0.00 O ATOM 621 CB LYS A 39 0.458 10.140 3.783 1.00 0.00 C ATOM 622 CG LYS A 39 0.529 10.274 2.270 1.00 0.00 C ATOM 623 CD LYS A 39 1.913 10.704 1.814 1.00 0.00 C ATOM 624 CE LYS A 39 2.301 12.050 2.404 1.00 0.00 C ATOM 625 NZ LYS A 39 3.394 12.701 1.629 1.00 0.00 N ATOM 0 H LYS A 39 0.728 7.711 3.496 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.686 9.208 5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.243 11.117 4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.435 9.834 4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.272 9.321 1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.209 11.002 1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.644 9.952 2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.937 10.762 0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.429 12.704 2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.619 11.915 3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.630 13.616 2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.235 12.089 1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.082 12.853 0.649 1.00 0.00 H new ATOM 639 N LYS A 40 -2.278 8.828 2.540 1.00 0.00 N ATOM 640 CA LYS A 40 -3.548 9.064 1.861 1.00 0.00 C ATOM 641 C LYS A 40 -4.720 8.562 2.700 1.00 0.00 C ATOM 642 O LYS A 40 -5.838 9.059 2.577 1.00 0.00 O ATOM 643 CB LYS A 40 -3.553 8.381 0.493 1.00 0.00 C ATOM 644 CG LYS A 40 -4.737 8.775 -0.379 1.00 0.00 C ATOM 645 CD LYS A 40 -4.298 9.584 -1.592 1.00 0.00 C ATOM 646 CE LYS A 40 -4.879 9.021 -2.880 1.00 0.00 C ATOM 647 NZ LYS A 40 -6.368 9.057 -2.880 1.00 0.00 N ATOM 0 H LYS A 40 -1.679 8.137 2.088 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.662 10.139 1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.629 8.627 -0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.561 7.300 0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.260 7.878 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.445 9.358 0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.613 10.621 -1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.210 9.587 -1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.502 9.592 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.541 7.993 -3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.737 8.162 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.712 9.187 -1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.696 9.847 -3.472 1.00 0.00 H new ATOM 661 N ILE A 41 -4.459 7.579 3.557 1.00 0.00 N ATOM 662 CA ILE A 41 -5.499 7.023 4.417 1.00 0.00 C ATOM 663 C ILE A 41 -5.781 7.959 5.586 1.00 0.00 C ATOM 664 O ILE A 41 -6.919 8.074 6.043 1.00 0.00 O ATOM 665 CB ILE A 41 -5.103 5.637 4.965 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.470 4.785 3.861 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.320 4.938 5.554 1.00 0.00 C ATOM 668 CD1 ILE A 41 -4.166 3.364 4.286 1.00 0.00 C ATOM 0 H ILE A 41 -3.540 7.152 3.674 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.396 6.913 3.807 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.365 5.771 5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.141 4.762 3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.547 5.261 3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.028 3.960 5.938 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.727 5.540 6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.077 4.813 4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.720 2.822 3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.470 3.376 5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.089 2.869 4.588 1.00 0.00 H new ATOM 680 N GLU A 42 -4.738 8.636 6.058 1.00 0.00 N ATOM 681 CA GLU A 42 -4.874 9.574 7.165 1.00 0.00 C ATOM 682 C GLU A 42 -5.722 10.769 6.747 1.00 0.00 C ATOM 683 O GLU A 42 -6.429 11.361 7.563 1.00 0.00 O ATOM 684 CB GLU A 42 -3.497 10.047 7.633 1.00 0.00 C ATOM 685 CG GLU A 42 -2.516 8.914 7.880 1.00 0.00 C ATOM 686 CD GLU A 42 -2.457 8.499 9.337 1.00 0.00 C ATOM 687 OE1 GLU A 42 -2.556 9.386 10.211 1.00 0.00 O ATOM 688 OE2 GLU A 42 -2.313 7.288 9.605 1.00 0.00 O ATOM 0 H GLU A 42 -3.790 8.552 5.690 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.370 9.064 7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.080 10.721 6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.613 10.623 8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.800 8.054 7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.523 9.221 7.553 1.00 0.00 H new ATOM 695 N GLU A 43 -5.651 11.112 5.464 1.00 0.00 N ATOM 696 CA GLU A 43 -6.416 12.229 4.926 1.00 0.00 C ATOM 697 C GLU A 43 -7.870 11.824 4.708 1.00 0.00 C ATOM 698 O GLU A 43 -8.779 12.650 4.786 1.00 0.00 O ATOM 699 CB GLU A 43 -5.792 12.714 3.610 1.00 0.00 C ATOM 700 CG GLU A 43 -6.021 11.788 2.423 1.00 0.00 C ATOM 701 CD GLU A 43 -6.210 12.546 1.124 1.00 0.00 C ATOM 702 OE1 GLU A 43 -5.212 13.076 0.594 1.00 0.00 O ATOM 703 OE2 GLU A 43 -7.359 12.608 0.636 1.00 0.00 O ATOM 0 H GLU A 43 -5.070 10.631 4.778 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.391 13.047 5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.197 13.697 3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.719 12.839 3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.172 11.111 2.325 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.900 11.171 2.611 1.00 0.00 H new ATOM 710 N LEU A 44 -8.074 10.540 4.434 1.00 0.00 N ATOM 711 CA LEU A 44 -9.406 10.000 4.199 1.00 0.00 C ATOM 712 C LEU A 44 -10.309 10.232 5.406 1.00 0.00 C ATOM 713 O LEU A 44 -9.835 10.359 6.534 1.00 0.00 O ATOM 714 CB LEU A 44 -9.315 8.506 3.885 1.00 0.00 C ATOM 715 CG LEU A 44 -9.028 8.167 2.422 1.00 0.00 C ATOM 716 CD1 LEU A 44 -8.523 6.737 2.291 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.272 8.377 1.573 1.00 0.00 C ATOM 0 H LEU A 44 -7.326 9.850 4.369 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.842 10.519 3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.532 8.068 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.253 8.032 4.174 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.248 8.837 2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.325 6.516 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.604 6.621 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.278 6.048 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.050 8.131 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.073 7.732 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.587 9.418 1.640 1.00 0.00 H new ATOM 729 N GLY A 45 -11.613 10.286 5.158 1.00 0.00 N ATOM 730 CA GLY A 45 -12.564 10.502 6.233 1.00 0.00 C ATOM 731 C GLY A 45 -13.270 9.228 6.650 1.00 0.00 C ATOM 732 O GLY A 45 -12.726 8.428 7.411 1.00 0.00 O ATOM 0 H GLY A 45 -12.029 10.184 4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.045 10.924 7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.304 11.237 5.916 1.00 0.00 H new ATOM 736 N GLY A 46 -14.486 9.036 6.147 1.00 0.00 N ATOM 737 CA GLY A 46 -15.248 7.848 6.483 1.00 0.00 C ATOM 738 C GLY A 46 -16.225 7.457 5.392 1.00 0.00 C ATOM 739 O GLY A 46 -17.327 8.001 5.313 1.00 0.00 O ATOM 0 H GLY A 46 -14.956 9.682 5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.563 7.020 6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.794 8.021 7.410 1.00 0.00 H new ATOM 743 N GLY A 47 -15.822 6.511 4.550 1.00 0.00 N ATOM 744 CA GLY A 47 -16.683 6.062 3.471 1.00 0.00 C ATOM 745 C GLY A 47 -16.575 6.941 2.240 1.00 0.00 C ATOM 746 O GLY A 47 -16.360 8.149 2.347 1.00 0.00 O ATOM 0 H GLY A 47 -14.915 6.047 4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -16.424 5.037 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.717 6.050 3.816 1.00 0.00 H new ATOM 750 N GLY A 48 -16.728 6.334 1.068 1.00 0.00 N ATOM 751 CA GLY A 48 -16.644 7.083 -0.172 1.00 0.00 C ATOM 752 C GLY A 48 -15.274 6.993 -0.813 1.00 0.00 C ATOM 753 O GLY A 48 -14.990 6.055 -1.559 1.00 0.00 O ATOM 0 H GLY A 48 -16.909 5.337 0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.393 6.709 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.883 8.129 0.022 1.00 0.00 H new ATOM 757 N GLU A 49 -14.422 7.971 -0.524 1.00 0.00 N ATOM 758 CA GLU A 49 -13.074 7.999 -1.077 1.00 0.00 C ATOM 759 C GLU A 49 -12.236 6.833 -0.554 1.00 0.00 C ATOM 760 O GLU A 49 -11.188 6.513 -1.113 1.00 0.00 O ATOM 761 CB GLU A 49 -12.391 9.325 -0.740 1.00 0.00 C ATOM 762 CG GLU A 49 -11.082 9.542 -1.482 1.00 0.00 C ATOM 763 CD GLU A 49 -10.203 10.587 -0.823 1.00 0.00 C ATOM 764 OE1 GLU A 49 -10.742 11.430 -0.074 1.00 0.00 O ATOM 765 OE2 GLU A 49 -8.976 10.564 -1.056 1.00 0.00 O ATOM 0 H GLU A 49 -14.642 8.755 0.090 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.154 7.901 -2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.071 10.144 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.202 9.364 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.539 8.598 -1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.296 9.846 -2.507 1.00 0.00 H new ATOM 772 N VAL A 50 -12.703 6.201 0.518 1.00 0.00 N ATOM 773 CA VAL A 50 -11.990 5.072 1.106 1.00 0.00 C ATOM 774 C VAL A 50 -12.013 3.855 0.183 1.00 0.00 C ATOM 775 O VAL A 50 -11.194 2.947 0.320 1.00 0.00 O ATOM 776 CB VAL A 50 -12.593 4.678 2.468 1.00 0.00 C ATOM 777 CG1 VAL A 50 -11.723 3.639 3.158 1.00 0.00 C ATOM 778 CG2 VAL A 50 -12.770 5.905 3.349 1.00 0.00 C ATOM 0 H VAL A 50 -13.569 6.450 0.996 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.958 5.393 1.248 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.575 4.238 2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.165 3.374 4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.653 2.749 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.726 4.048 3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.197 5.607 4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.801 6.377 3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -13.439 6.612 2.858 1.00 0.00 H new ATOM 788 N LYS A 51 -12.958 3.840 -0.754 1.00 0.00 N ATOM 789 CA LYS A 51 -13.085 2.731 -1.695 1.00 0.00 C ATOM 790 C LYS A 51 -12.025 2.808 -2.790 1.00 0.00 C ATOM 791 O LYS A 51 -11.644 1.788 -3.366 1.00 0.00 O ATOM 792 CB LYS A 51 -14.481 2.726 -2.321 1.00 0.00 C ATOM 793 CG LYS A 51 -15.568 2.225 -1.383 1.00 0.00 C ATOM 794 CD LYS A 51 -16.338 1.061 -1.986 1.00 0.00 C ATOM 795 CE LYS A 51 -17.632 0.798 -1.233 1.00 0.00 C ATOM 796 NZ LYS A 51 -17.382 0.450 0.194 1.00 0.00 N ATOM 0 H LYS A 51 -13.646 4.582 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.935 1.804 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.729 3.737 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.467 2.101 -3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.120 1.915 -0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.257 3.039 -1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.561 1.274 -3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.717 0.165 -1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.269 1.681 -1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.174 -0.015 -1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.142 -0.171 0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.469 -0.042 0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.360 1.319 0.765 1.00 0.00 H new ATOM 810 N LYS A 52 -11.553 4.017 -3.076 1.00 0.00 N ATOM 811 CA LYS A 52 -10.533 4.211 -4.108 1.00 0.00 C ATOM 812 C LYS A 52 -9.157 3.827 -3.580 1.00 0.00 C ATOM 813 O LYS A 52 -8.480 2.973 -4.149 1.00 0.00 O ATOM 814 CB LYS A 52 -10.508 5.664 -4.608 1.00 0.00 C ATOM 815 CG LYS A 52 -11.762 6.463 -4.290 1.00 0.00 C ATOM 816 CD LYS A 52 -13.017 5.759 -4.780 1.00 0.00 C ATOM 817 CE LYS A 52 -13.555 6.396 -6.051 1.00 0.00 C ATOM 818 NZ LYS A 52 -12.823 5.927 -7.260 1.00 0.00 N ATOM 0 H LYS A 52 -11.856 4.874 -2.613 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.790 3.564 -4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.649 6.171 -4.169 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.359 5.661 -5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.830 6.620 -3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.693 7.448 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.797 4.708 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.781 5.793 -4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.614 6.161 -6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.475 7.480 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.253 6.345 -8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.826 6.218 -7.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.878 4.890 -7.319 1.00 0.00 H new ATOM 832 N VAL A 53 -8.751 4.468 -2.489 1.00 0.00 N ATOM 833 CA VAL A 53 -7.453 4.197 -1.878 1.00 0.00 C ATOM 834 C VAL A 53 -7.281 2.710 -1.579 1.00 0.00 C ATOM 835 O VAL A 53 -6.170 2.182 -1.632 1.00 0.00 O ATOM 836 CB VAL A 53 -7.267 4.993 -0.574 1.00 0.00 C ATOM 837 CG1 VAL A 53 -5.842 4.858 -0.062 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.630 6.455 -0.784 1.00 0.00 C ATOM 0 H VAL A 53 -9.302 5.179 -2.009 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.697 4.510 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.938 4.580 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.731 5.428 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.623 3.808 0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.149 5.241 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.492 7.002 0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.987 6.883 -1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.671 6.530 -1.098 1.00 0.00 H new ATOM 848 N GLU A 54 -8.386 2.040 -1.268 1.00 0.00 N ATOM 849 CA GLU A 54 -8.353 0.613 -0.964 1.00 0.00 C ATOM 850 C GLU A 54 -7.795 -0.175 -2.145 1.00 0.00 C ATOM 851 O GLU A 54 -7.038 -1.129 -1.969 1.00 0.00 O ATOM 852 CB GLU A 54 -9.755 0.111 -0.614 1.00 0.00 C ATOM 853 CG GLU A 54 -9.769 -0.911 0.512 1.00 0.00 C ATOM 854 CD GLU A 54 -9.856 -2.337 0.004 1.00 0.00 C ATOM 855 OE1 GLU A 54 -10.550 -2.566 -1.009 1.00 0.00 O ATOM 856 OE2 GLU A 54 -9.227 -3.225 0.618 1.00 0.00 O ATOM 0 H GLU A 54 -9.314 2.461 -1.220 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.700 0.461 -0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.376 0.961 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.206 -0.332 -1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.866 -0.797 1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.616 -0.711 1.169 1.00 0.00 H new ATOM 863 N GLU A 55 -8.172 0.240 -3.350 1.00 0.00 N ATOM 864 CA GLU A 55 -7.708 -0.416 -4.567 1.00 0.00 C ATOM 865 C GLU A 55 -6.235 -0.108 -4.819 1.00 0.00 C ATOM 866 O GLU A 55 -5.522 -0.897 -5.438 1.00 0.00 O ATOM 867 CB GLU A 55 -8.550 0.036 -5.763 1.00 0.00 C ATOM 868 CG GLU A 55 -8.141 -0.615 -7.076 1.00 0.00 C ATOM 869 CD GLU A 55 -7.659 0.391 -8.102 1.00 0.00 C ATOM 870 OE1 GLU A 55 -8.430 1.318 -8.432 1.00 0.00 O ATOM 871 OE2 GLU A 55 -6.511 0.255 -8.575 1.00 0.00 O ATOM 0 H GLU A 55 -8.799 1.029 -3.510 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.819 -1.493 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.598 -0.191 -5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.471 1.118 -5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.351 -1.341 -6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.989 -1.166 -7.483 1.00 0.00 H new ATOM 878 N GLU A 56 -5.790 1.047 -4.333 1.00 0.00 N ATOM 879 CA GLU A 56 -4.405 1.471 -4.500 1.00 0.00 C ATOM 880 C GLU A 56 -3.456 0.568 -3.716 1.00 0.00 C ATOM 881 O GLU A 56 -2.297 0.393 -4.090 1.00 0.00 O ATOM 882 CB GLU A 56 -4.243 2.921 -4.040 1.00 0.00 C ATOM 883 CG GLU A 56 -4.981 3.923 -4.914 1.00 0.00 C ATOM 884 CD GLU A 56 -4.352 5.302 -4.878 1.00 0.00 C ATOM 885 OE1 GLU A 56 -3.239 5.462 -5.421 1.00 0.00 O ATOM 886 OE2 GLU A 56 -4.973 6.223 -4.306 1.00 0.00 O ATOM 0 H GLU A 56 -6.372 1.708 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.152 1.396 -5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.603 3.011 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.183 3.173 -4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.996 3.561 -5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.018 3.992 -4.585 1.00 0.00 H new ATOM 893 N VAL A 57 -3.957 -0.001 -2.625 1.00 0.00 N ATOM 894 CA VAL A 57 -3.156 -0.884 -1.783 1.00 0.00 C ATOM 895 C VAL A 57 -3.122 -2.298 -2.350 1.00 0.00 C ATOM 896 O VAL A 57 -2.190 -3.057 -2.091 1.00 0.00 O ATOM 897 CB VAL A 57 -3.700 -0.938 -0.342 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.697 -1.611 0.583 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.045 0.461 0.156 1.00 0.00 C ATOM 0 H VAL A 57 -4.915 0.133 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.147 -0.473 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.614 -1.532 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.099 -1.640 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.509 -2.628 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.764 -1.048 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.427 0.401 1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.150 1.084 0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.804 0.900 -0.491 1.00 0.00 H new ATOM 909 N LYS A 58 -4.151 -2.647 -3.112 1.00 0.00 N ATOM 910 CA LYS A 58 -4.253 -3.971 -3.713 1.00 0.00 C ATOM 911 C LYS A 58 -3.303 -4.121 -4.899 1.00 0.00 C ATOM 912 O LYS A 58 -2.875 -5.228 -5.220 1.00 0.00 O ATOM 913 CB LYS A 58 -5.691 -4.237 -4.157 1.00 0.00 C ATOM 914 CG LYS A 58 -6.399 -5.290 -3.321 1.00 0.00 C ATOM 915 CD LYS A 58 -6.134 -6.691 -3.850 1.00 0.00 C ATOM 916 CE LYS A 58 -6.226 -7.734 -2.746 1.00 0.00 C ATOM 917 NZ LYS A 58 -4.958 -8.500 -2.599 1.00 0.00 N ATOM 0 H LYS A 58 -4.931 -2.027 -3.329 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.966 -4.704 -2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.256 -3.306 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.688 -4.554 -5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.063 -5.221 -2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.472 -5.096 -3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.853 -6.926 -4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.144 -6.728 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.465 -7.244 -1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.043 -8.422 -2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.062 -9.200 -1.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.742 -8.989 -3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.183 -7.847 -2.366 1.00 0.00 H new ATOM 931 N LYS A 59 -2.997 -3.012 -5.564 1.00 0.00 N ATOM 932 CA LYS A 59 -2.116 -3.039 -6.730 1.00 0.00 C ATOM 933 C LYS A 59 -0.651 -3.194 -6.332 1.00 0.00 C ATOM 934 O LYS A 59 0.101 -3.915 -6.988 1.00 0.00 O ATOM 935 CB LYS A 59 -2.292 -1.766 -7.561 1.00 0.00 C ATOM 936 CG LYS A 59 -1.455 -1.752 -8.834 1.00 0.00 C ATOM 937 CD LYS A 59 -0.318 -0.743 -8.752 1.00 0.00 C ATOM 938 CE LYS A 59 -0.643 0.529 -9.517 1.00 0.00 C ATOM 939 NZ LYS A 59 0.588 1.244 -9.954 1.00 0.00 N ATOM 0 H LYS A 59 -3.344 -2.085 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.397 -3.906 -7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.344 -1.657 -7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.026 -0.903 -6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.046 -2.747 -9.011 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.092 -1.513 -9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.121 -0.500 -7.708 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.593 -1.187 -9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.249 0.283 -10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.242 1.188 -8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.341 2.208 -10.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.261 1.292 -9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.023 0.733 -10.748 1.00 0.00 H new ATOM 953 N LEU A 60 -0.241 -2.508 -5.269 1.00 0.00 N ATOM 954 CA LEU A 60 1.145 -2.575 -4.817 1.00 0.00 C ATOM 955 C LEU A 60 1.432 -3.871 -4.068 1.00 0.00 C ATOM 956 O LEU A 60 2.573 -4.318 -4.009 1.00 0.00 O ATOM 957 CB LEU A 60 1.486 -1.385 -3.925 1.00 0.00 C ATOM 958 CG LEU A 60 2.979 -1.056 -3.866 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.207 0.442 -3.956 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.600 -1.619 -2.598 1.00 0.00 C ATOM 0 H LEU A 60 -0.843 -1.904 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 60 1.771 -2.547 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.946 -0.509 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.129 -1.588 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 60 3.464 -1.523 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.276 0.651 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.803 0.816 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.706 0.937 -3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.662 -1.375 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.108 -1.184 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.476 -2.702 -2.582 1.00 0.00 H new ATOM 972 N GLU A 61 0.397 -4.469 -3.496 1.00 0.00 N ATOM 973 CA GLU A 61 0.553 -5.713 -2.753 1.00 0.00 C ATOM 974 C GLU A 61 0.855 -6.868 -3.703 1.00 0.00 C ATOM 975 O GLU A 61 1.851 -7.575 -3.546 1.00 0.00 O ATOM 976 CB GLU A 61 -0.713 -6.010 -1.950 1.00 0.00 C ATOM 977 CG GLU A 61 -0.437 -6.533 -0.551 1.00 0.00 C ATOM 978 CD GLU A 61 -1.644 -7.207 0.071 1.00 0.00 C ATOM 979 OE1 GLU A 61 -1.915 -8.376 -0.275 1.00 0.00 O ATOM 980 OE2 GLU A 61 -2.319 -6.565 0.903 1.00 0.00 O ATOM 0 H GLU A 61 -0.559 -4.114 -3.531 1.00 0.00 H new ATOM 0 HA GLU A 61 1.390 -5.602 -2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.309 -5.100 -1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.313 -6.742 -2.491 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.390 -7.242 -0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.120 -5.707 0.085 1.00 0.00 H new ATOM 987 N GLU A 62 -0.012 -7.046 -4.692 1.00 0.00 N ATOM 988 CA GLU A 62 0.147 -8.105 -5.680 1.00 0.00 C ATOM 989 C GLU A 62 1.419 -7.900 -6.501 1.00 0.00 C ATOM 990 O GLU A 62 1.999 -8.856 -7.016 1.00 0.00 O ATOM 991 CB GLU A 62 -1.070 -8.141 -6.607 1.00 0.00 C ATOM 992 CG GLU A 62 -1.489 -9.546 -7.005 1.00 0.00 C ATOM 993 CD GLU A 62 -2.609 -9.551 -8.028 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.779 -9.379 -7.629 1.00 0.00 O ATOM 995 OE2 GLU A 62 -2.314 -9.729 -9.228 1.00 0.00 O ATOM 0 H GLU A 62 -0.839 -6.465 -4.831 1.00 0.00 H new ATOM 0 HA GLU A 62 0.228 -9.055 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.907 -7.647 -6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.848 -7.568 -7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.628 -10.077 -7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.810 -10.091 -6.117 1.00 0.00 H new ATOM 1002 N GLU A 63 1.842 -6.646 -6.621 1.00 0.00 N ATOM 1003 CA GLU A 63 3.039 -6.308 -7.382 1.00 0.00 C ATOM 1004 C GLU A 63 4.276 -6.979 -6.786 1.00 0.00 C ATOM 1005 O GLU A 63 4.963 -7.746 -7.461 1.00 0.00 O ATOM 1006 CB GLU A 63 3.224 -4.788 -7.420 1.00 0.00 C ATOM 1007 CG GLU A 63 3.423 -4.236 -8.821 1.00 0.00 C ATOM 1008 CD GLU A 63 4.801 -4.536 -9.378 1.00 0.00 C ATOM 1009 OE1 GLU A 63 5.784 -4.440 -8.613 1.00 0.00 O ATOM 1010 OE2 GLU A 63 4.897 -4.868 -10.578 1.00 0.00 O ATOM 0 H GLU A 63 1.372 -5.845 -6.200 1.00 0.00 H new ATOM 0 HA GLU A 63 2.914 -6.677 -8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.352 -4.313 -6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.084 -4.519 -6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.668 -4.658 -9.484 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.268 -3.157 -8.807 1.00 0.00 H new ATOM 1017 N ILE A 64 4.550 -6.684 -5.520 1.00 0.00 N ATOM 1018 CA ILE A 64 5.698 -7.256 -4.826 1.00 0.00 C ATOM 1019 C ILE A 64 5.688 -8.780 -4.906 1.00 0.00 C ATOM 1020 O ILE A 64 6.737 -9.422 -4.844 1.00 0.00 O ATOM 1021 CB ILE A 64 5.725 -6.836 -3.341 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.573 -5.317 -3.207 1.00 0.00 C ATOM 1023 CG2 ILE A 64 7.012 -7.306 -2.681 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.597 -4.831 -1.771 1.00 0.00 C ATOM 0 H ILE A 64 3.990 -6.049 -4.951 1.00 0.00 H new ATOM 0 HA ILE A 64 6.589 -6.872 -5.324 1.00 0.00 H new ATOM 0 HB ILE A 64 4.884 -7.309 -2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.375 -4.829 -3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.635 -5.011 -3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.016 -7.002 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.078 -8.392 -2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.866 -6.861 -3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.485 -3.747 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.778 -5.291 -1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.546 -5.106 -1.310 1.00 0.00 H new ATOM 1036 N LYS A 65 4.496 -9.354 -5.042 1.00 0.00 N ATOM 1037 CA LYS A 65 4.352 -10.803 -5.126 1.00 0.00 C ATOM 1038 C LYS A 65 5.054 -11.348 -6.366 1.00 0.00 C ATOM 1039 O LYS A 65 5.582 -12.460 -6.353 1.00 0.00 O ATOM 1040 CB LYS A 65 2.870 -11.189 -5.148 1.00 0.00 C ATOM 1041 CG LYS A 65 2.392 -11.837 -3.858 1.00 0.00 C ATOM 1042 CD LYS A 65 1.896 -10.801 -2.860 1.00 0.00 C ATOM 1043 CE LYS A 65 2.658 -10.881 -1.546 1.00 0.00 C ATOM 1044 NZ LYS A 65 1.902 -11.638 -0.511 1.00 0.00 N ATOM 0 H LYS A 65 3.618 -8.838 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 65 4.820 -11.243 -4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.273 -10.297 -5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.694 -11.875 -5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.591 -12.542 -4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.207 -12.409 -3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.006 -9.803 -3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.833 -10.953 -2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.622 -11.360 -1.714 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.862 -9.874 -1.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.455 -11.670 0.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.992 -11.167 -0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.730 -12.607 -0.847 1.00 0.00 H new ATOM 1058 N LYS A 66 5.060 -10.556 -7.432 1.00 0.00 N ATOM 1059 CA LYS A 66 5.699 -10.959 -8.679 1.00 0.00 C ATOM 1060 C LYS A 66 7.216 -10.987 -8.523 1.00 0.00 C ATOM 1061 O LYS A 66 7.857 -12.011 -8.759 1.00 0.00 O ATOM 1062 CB LYS A 66 5.309 -10.006 -9.809 1.00 0.00 C ATOM 1063 CG LYS A 66 4.008 -10.383 -10.501 1.00 0.00 C ATOM 1064 CD LYS A 66 4.240 -10.776 -11.951 1.00 0.00 C ATOM 1065 CE LYS A 66 4.645 -12.236 -12.074 1.00 0.00 C ATOM 1066 NZ LYS A 66 6.121 -12.394 -12.190 1.00 0.00 N ATOM 0 H LYS A 66 4.630 -9.632 -7.458 1.00 0.00 H new ATOM 0 HA LYS A 66 5.356 -11.963 -8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.218 -8.997 -9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.111 -9.984 -10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.539 -11.211 -9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.315 -9.543 -10.457 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.331 -10.600 -12.527 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.017 -10.144 -12.381 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.288 -12.786 -11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.163 -12.674 -12.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.357 -13.404 -12.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.459 -11.890 -13.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.580 -11.999 -11.345 1.00 0.00 H new ATOM 1080 N LEU A 67 7.782 -9.853 -8.124 1.00 0.00 N ATOM 1081 CA LEU A 67 9.221 -9.742 -7.934 1.00 0.00 C ATOM 1082 C LEU A 67 9.691 -10.637 -6.792 1.00 0.00 C ATOM 1083 O LEU A 67 9.162 -10.492 -5.670 1.00 0.00 O ATOM 1084 CB LEU A 67 9.605 -8.289 -7.651 1.00 0.00 C ATOM 1085 CG LEU A 67 8.635 -7.521 -6.746 1.00 0.00 C ATOM 1086 CD1 LEU A 67 9.387 -6.821 -5.624 1.00 0.00 C ATOM 1087 CD2 LEU A 67 7.830 -6.515 -7.558 1.00 0.00 C ATOM 1088 OXT LEU A 67 10.584 -11.478 -7.030 1.00 0.00 O ATOM 0 H LEU A 67 7.264 -8.997 -7.926 1.00 0.00 H new ATOM 0 HA LEU A 67 9.711 -10.070 -8.851 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.594 -8.274 -7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.686 -7.760 -8.601 1.00 0.00 H new ATOM 0 HG LEU A 67 7.944 -8.236 -6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.680 -6.282 -4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.917 -7.561 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.103 -6.118 -6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.147 -5.979 -6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.507 -5.805 -8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.259 -7.040 -8.324 1.00 0.00 H new TER 1100 LEU A 67 HETATM 1101 C6 HTS A 101 7.764 2.608 3.007 1.00 0.00 C HETATM 1102 C1 HTS A 101 6.593 1.929 2.738 1.00 0.00 C HETATM 1103 C2 HTS A 101 6.616 0.740 2.020 1.00 0.00 C HETATM 1104 C3 HTS A 101 7.829 0.239 1.573 1.00 0.00 C HETATM 1105 C4 HTS A 101 9.003 0.915 1.839 1.00 0.00 C HETATM 1106 C5 HTS A 101 8.971 2.100 2.557 1.00 0.00 C HETATM 1107 O1 HTS A 101 5.384 2.419 3.178 1.00 0.00 O HETATM 1108 S1 HTS A 101 5.061 0.003 1.756 1.00 0.00 S HETATM 0 HO1 HTS A 101 4.657 1.879 2.804 1.00 0.00 H new HETATM 0 H6 HTS A 101 7.739 3.540 3.571 1.00 0.00 H new HETATM 0 H5 HTS A 101 9.898 2.633 2.768 1.00 0.00 H new HETATM 0 H4 HTS A 101 9.954 0.517 1.485 1.00 0.00 H new HETATM 0 H3 HTS A 101 7.856 -0.693 1.009 1.00 0.00 H new