USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=11 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 Set 1.1: A 33 LYS NZ :NH3+ -150:sc= -1.04 (180deg=-2.29!) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 139:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 174:sc= 0 (180deg=-0.0289) USER MOD Single : A 2 SER OG : rot 145:sc= -0.886 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -151:sc= -0.0951 (180deg=-0.53) 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 38 LYS NZ :NH3+ -106:sc= -0.498 (180deg=-2.54!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -123:sc= 0.121 (180deg=-0.00887) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= -0.012 (180deg=-0.217) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -119:sc= 0.39 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc=-0.000443 (180deg=-0.137) USER MOD Single : A 101 HTS O1 : rot -68:sc= 0.943 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.682 -7.138 13.512 1.00 0.00 N ATOM 2 CA GLY A 1 -12.234 -6.799 13.458 1.00 0.00 C ATOM 3 C GLY A 1 -11.981 -5.428 12.862 1.00 0.00 C ATOM 4 O GLY A 1 -11.037 -5.242 12.093 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.797 -8.121 13.831 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.163 -6.500 14.177 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.099 -7.031 12.565 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.817 -6.837 14.465 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.710 -7.551 12.868 1.00 0.00 H new ATOM 10 N SER A 2 -12.825 -4.465 13.217 1.00 0.00 N ATOM 11 CA SER A 2 -12.688 -3.104 12.712 1.00 0.00 C ATOM 12 C SER A 2 -12.798 -3.074 11.191 1.00 0.00 C ATOM 13 O SER A 2 -13.037 -4.101 10.555 1.00 0.00 O ATOM 14 CB SER A 2 -11.349 -2.508 13.150 1.00 0.00 C ATOM 15 OG SER A 2 -11.477 -1.126 13.437 1.00 0.00 O ATOM 0 H SER A 2 -13.611 -4.602 13.852 1.00 0.00 H new ATOM 0 HA SER A 2 -13.498 -2.505 13.128 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.984 -3.034 14.032 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.608 -2.653 12.364 1.00 0.00 H new ATOM 0 HG SER A 2 -10.886 -0.890 14.182 1.00 0.00 H new ATOM 21 N ARG A 3 -12.621 -1.890 10.613 1.00 0.00 N ATOM 22 CA ARG A 3 -12.701 -1.727 9.166 1.00 0.00 C ATOM 23 C ARG A 3 -11.537 -0.888 8.648 1.00 0.00 C ATOM 24 O ARG A 3 -10.710 -1.366 7.872 1.00 0.00 O ATOM 25 CB ARG A 3 -14.028 -1.074 8.777 1.00 0.00 C ATOM 26 CG ARG A 3 -14.429 -1.324 7.332 1.00 0.00 C ATOM 27 CD ARG A 3 -14.816 -0.035 6.627 1.00 0.00 C ATOM 28 NE ARG A 3 -15.182 -0.262 5.231 1.00 0.00 N ATOM 29 CZ ARG A 3 -16.367 -0.727 4.842 1.00 0.00 C ATOM 30 NH1 ARG A 3 -17.302 -1.016 5.739 1.00 0.00 N ATOM 31 NH2 ARG A 3 -16.620 -0.905 3.553 1.00 0.00 N ATOM 0 H ARG A 3 -12.421 -1.030 11.124 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.644 -2.716 8.711 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.814 -1.448 9.433 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.958 0.001 8.945 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.602 -1.796 6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.266 -2.021 7.302 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.653 0.427 7.150 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.984 0.667 6.674 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.489 -0.052 4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.114 -0.882 6.733 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -18.208 -1.372 5.435 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.906 -0.686 2.858 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.528 -1.261 3.256 1.00 0.00 H new ATOM 45 N VAL A 4 -11.479 0.366 9.085 1.00 0.00 N ATOM 46 CA VAL A 4 -10.417 1.272 8.664 1.00 0.00 C ATOM 47 C VAL A 4 -9.098 0.926 9.347 1.00 0.00 C ATOM 48 O VAL A 4 -8.029 1.051 8.749 1.00 0.00 O ATOM 49 CB VAL A 4 -10.772 2.739 8.973 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.751 3.678 8.350 1.00 0.00 C ATOM 51 CG2 VAL A 4 -12.175 3.063 8.483 1.00 0.00 C ATOM 0 H VAL A 4 -12.154 0.777 9.730 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.309 1.152 7.586 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.748 2.880 10.054 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.018 4.710 8.579 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.762 3.461 8.755 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.739 3.537 7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.408 4.103 8.710 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -12.230 2.905 7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.894 2.413 8.982 1.00 0.00 H new ATOM 61 N LYS A 5 -9.180 0.487 10.600 1.00 0.00 N ATOM 62 CA LYS A 5 -7.988 0.120 11.360 1.00 0.00 C ATOM 63 C LYS A 5 -7.229 -1.005 10.663 1.00 0.00 C ATOM 64 O LYS A 5 -6.012 -1.124 10.799 1.00 0.00 O ATOM 65 CB LYS A 5 -8.374 -0.310 12.777 1.00 0.00 C ATOM 66 CG LYS A 5 -8.316 0.820 13.792 1.00 0.00 C ATOM 67 CD LYS A 5 -7.828 0.326 15.146 1.00 0.00 C ATOM 68 CE LYS A 5 -6.920 1.344 15.819 1.00 0.00 C ATOM 69 NZ LYS A 5 -7.563 1.956 17.015 1.00 0.00 N ATOM 0 H LYS A 5 -10.057 0.377 11.110 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.338 0.993 11.418 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.383 -0.721 12.761 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.708 -1.111 13.099 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.652 1.604 13.428 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.305 1.265 13.900 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.684 0.120 15.789 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.291 -0.614 15.019 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.989 0.861 16.115 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.660 2.126 15.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.912 2.644 17.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.439 2.439 16.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.788 1.213 17.707 1.00 0.00 H new ATOM 83 N ALA A 6 -7.959 -1.825 9.915 1.00 0.00 N ATOM 84 CA ALA A 6 -7.365 -2.942 9.190 1.00 0.00 C ATOM 85 C ALA A 6 -6.713 -2.471 7.893 1.00 0.00 C ATOM 86 O ALA A 6 -5.805 -3.117 7.374 1.00 0.00 O ATOM 87 CB ALA A 6 -8.416 -4.004 8.901 1.00 0.00 C ATOM 0 H ALA A 6 -8.968 -1.736 9.795 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.588 -3.378 9.818 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.958 -4.831 8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.831 -4.370 9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.213 -3.572 8.296 1.00 0.00 H new ATOM 93 N LEU A 7 -7.193 -1.349 7.367 1.00 0.00 N ATOM 94 CA LEU A 7 -6.665 -0.796 6.125 1.00 0.00 C ATOM 95 C LEU A 7 -5.267 -0.211 6.326 1.00 0.00 C ATOM 96 O LEU A 7 -4.439 -0.235 5.416 1.00 0.00 O ATOM 97 CB LEU A 7 -7.609 0.285 5.591 1.00 0.00 C ATOM 98 CG LEU A 7 -7.926 0.191 4.098 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.780 1.372 3.661 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.643 0.127 3.285 1.00 0.00 C ATOM 0 H LEU A 7 -7.948 -0.804 7.783 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.592 -1.607 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.544 0.236 6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.168 1.262 5.792 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.490 -0.725 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.997 1.290 2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.714 1.373 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.242 2.300 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.887 0.060 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.053 1.025 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.068 -0.751 3.581 1.00 0.00 H new ATOM 112 N GLU A 8 -5.014 0.319 7.518 1.00 0.00 N ATOM 113 CA GLU A 8 -3.720 0.918 7.831 1.00 0.00 C ATOM 114 C GLU A 8 -2.704 -0.141 8.249 1.00 0.00 C ATOM 115 O GLU A 8 -1.518 -0.028 7.942 1.00 0.00 O ATOM 116 CB GLU A 8 -3.875 1.960 8.940 1.00 0.00 C ATOM 117 CG GLU A 8 -4.892 3.042 8.615 1.00 0.00 C ATOM 118 CD GLU A 8 -5.320 3.827 9.840 1.00 0.00 C ATOM 119 OE1 GLU A 8 -4.436 4.372 10.533 1.00 0.00 O ATOM 120 OE2 GLU A 8 -6.539 3.895 10.104 1.00 0.00 O ATOM 0 H GLU A 8 -5.687 0.346 8.284 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.350 1.405 6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.172 1.458 9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.908 2.426 9.128 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.467 3.726 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.769 2.585 8.156 1.00 0.00 H new ATOM 127 N GLU A 9 -3.174 -1.165 8.951 1.00 0.00 N ATOM 128 CA GLU A 9 -2.303 -2.242 9.411 1.00 0.00 C ATOM 129 C GLU A 9 -1.887 -3.145 8.250 1.00 0.00 C ATOM 130 O GLU A 9 -0.900 -3.875 8.344 1.00 0.00 O ATOM 131 CB GLU A 9 -3.003 -3.065 10.497 1.00 0.00 C ATOM 132 CG GLU A 9 -4.170 -3.893 9.984 1.00 0.00 C ATOM 133 CD GLU A 9 -3.729 -5.212 9.381 1.00 0.00 C ATOM 134 OE1 GLU A 9 -2.994 -5.960 10.061 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.120 -5.499 8.230 1.00 0.00 O ATOM 0 H GLU A 9 -4.153 -1.273 9.215 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.403 -1.793 9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.275 -3.730 10.962 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.362 -2.391 11.275 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.862 -4.086 10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.716 -3.320 9.235 1.00 0.00 H new ATOM 142 N LYS A 10 -2.648 -3.093 7.162 1.00 0.00 N ATOM 143 CA LYS A 10 -2.365 -3.908 5.986 1.00 0.00 C ATOM 144 C LYS A 10 -1.124 -3.403 5.257 1.00 0.00 C ATOM 145 O LYS A 10 -0.180 -4.155 5.023 1.00 0.00 O ATOM 146 CB LYS A 10 -3.569 -3.896 5.040 1.00 0.00 C ATOM 147 CG LYS A 10 -4.116 -5.280 4.730 1.00 0.00 C ATOM 148 CD LYS A 10 -5.633 -5.271 4.615 1.00 0.00 C ATOM 149 CE LYS A 10 -6.280 -6.160 5.665 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.821 -7.573 5.553 1.00 0.00 N ATOM 0 H LYS A 10 -3.468 -2.493 7.070 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.175 -4.930 6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.362 -3.292 5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.282 -3.411 4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.682 -5.643 3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.814 -5.975 5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.001 -4.251 4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.925 -5.610 3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.045 -5.779 6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.364 -6.120 5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.571 -8.209 5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.605 -7.790 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.966 -7.707 6.130 1.00 0.00 H new ATOM 164 N VAL A 11 -1.138 -2.124 4.900 1.00 0.00 N ATOM 165 CA VAL A 11 -0.018 -1.510 4.195 1.00 0.00 C ATOM 166 C VAL A 11 1.240 -1.505 5.054 1.00 0.00 C ATOM 167 O VAL A 11 2.353 -1.546 4.538 1.00 0.00 O ATOM 168 CB VAL A 11 -0.339 -0.065 3.767 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.754 0.483 2.860 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.697 0.006 3.083 1.00 0.00 C ATOM 0 H VAL A 11 -1.915 -1.490 5.088 1.00 0.00 H new ATOM 0 HA VAL A 11 0.156 -2.113 3.304 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.379 0.555 4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.508 1.504 2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.705 0.477 3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.833 -0.139 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.903 1.035 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.692 -0.630 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.470 -0.336 3.772 1.00 0.00 H new ATOM 180 N LYS A 12 1.050 -1.449 6.363 1.00 0.00 N ATOM 181 CA LYS A 12 2.164 -1.437 7.307 1.00 0.00 C ATOM 182 C LYS A 12 3.024 -2.683 7.138 1.00 0.00 C ATOM 183 O LYS A 12 4.250 -2.622 7.237 1.00 0.00 O ATOM 184 CB LYS A 12 1.646 -1.347 8.744 1.00 0.00 C ATOM 185 CG LYS A 12 2.616 -0.673 9.700 1.00 0.00 C ATOM 186 CD LYS A 12 3.735 -1.615 10.120 1.00 0.00 C ATOM 187 CE LYS A 12 5.103 -0.998 9.881 1.00 0.00 C ATOM 188 NZ LYS A 12 5.531 -0.136 11.017 1.00 0.00 N ATOM 0 H LYS A 12 0.130 -1.411 6.801 1.00 0.00 H new ATOM 0 HA LYS A 12 2.777 -0.560 7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.704 -0.798 8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.430 -2.352 9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.042 0.210 9.224 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.078 -0.330 10.584 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.626 -1.863 11.176 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.654 -2.549 9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.837 -1.790 9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.079 -0.407 8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.469 0.265 10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.845 0.635 11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.579 -0.705 11.886 1.00 0.00 H new ATOM 202 N ALA A 13 2.375 -3.807 6.857 1.00 0.00 N ATOM 203 CA ALA A 13 3.084 -5.062 6.644 1.00 0.00 C ATOM 204 C ALA A 13 3.651 -5.096 5.231 1.00 0.00 C ATOM 205 O ALA A 13 4.627 -5.790 4.947 1.00 0.00 O ATOM 206 CB ALA A 13 2.158 -6.246 6.881 1.00 0.00 C ATOM 0 H ALA A 13 1.361 -3.875 6.772 1.00 0.00 H new ATOM 0 HA ALA A 13 3.906 -5.131 7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.705 -7.174 6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.788 -6.219 7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.317 -6.194 6.190 1.00 0.00 H new ATOM 212 N LEU A 14 3.024 -4.318 4.358 1.00 0.00 N ATOM 213 CA LEU A 14 3.429 -4.203 2.968 1.00 0.00 C ATOM 214 C LEU A 14 4.811 -3.561 2.859 1.00 0.00 C ATOM 215 O LEU A 14 5.532 -3.770 1.883 1.00 0.00 O ATOM 216 CB LEU A 14 2.388 -3.365 2.224 1.00 0.00 C ATOM 217 CG LEU A 14 2.281 -3.617 0.720 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.854 -3.379 0.253 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.244 -2.728 -0.049 1.00 0.00 C ATOM 0 H LEU A 14 2.215 -3.746 4.599 1.00 0.00 H new ATOM 0 HA LEU A 14 3.490 -5.196 2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.412 -3.549 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.618 -2.311 2.381 1.00 0.00 H new ATOM 0 HG LEU A 14 2.550 -4.655 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.787 -3.561 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.181 -4.057 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.569 -2.348 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.149 -2.926 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.010 -1.682 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.265 -2.937 0.269 1.00 0.00 H new ATOM 231 N GLU A 15 5.167 -2.771 3.869 1.00 0.00 N ATOM 232 CA GLU A 15 6.452 -2.083 3.900 1.00 0.00 C ATOM 233 C GLU A 15 7.581 -3.037 4.279 1.00 0.00 C ATOM 234 O GLU A 15 8.672 -2.977 3.713 1.00 0.00 O ATOM 235 CB GLU A 15 6.385 -0.912 4.888 1.00 0.00 C ATOM 236 CG GLU A 15 7.732 -0.269 5.180 1.00 0.00 C ATOM 237 CD GLU A 15 7.601 1.076 5.870 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.559 1.738 5.687 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.542 1.465 6.593 1.00 0.00 O ATOM 0 H GLU A 15 4.578 -2.592 4.682 1.00 0.00 H new ATOM 0 HA GLU A 15 6.664 -1.701 2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.711 -0.153 4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.952 -1.265 5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.321 -0.938 5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.280 -0.142 4.246 1.00 0.00 H new ATOM 246 N GLU A 16 7.315 -3.915 5.240 1.00 0.00 N ATOM 247 CA GLU A 16 8.315 -4.880 5.691 1.00 0.00 C ATOM 248 C GLU A 16 8.863 -5.690 4.519 1.00 0.00 C ATOM 249 O GLU A 16 10.002 -6.158 4.554 1.00 0.00 O ATOM 250 CB GLU A 16 7.713 -5.818 6.737 1.00 0.00 C ATOM 251 CG GLU A 16 7.324 -5.119 8.029 1.00 0.00 C ATOM 252 CD GLU A 16 7.605 -5.964 9.256 1.00 0.00 C ATOM 253 OE1 GLU A 16 6.753 -6.810 9.601 1.00 0.00 O ATOM 254 OE2 GLU A 16 8.676 -5.782 9.871 1.00 0.00 O ATOM 0 H GLU A 16 6.418 -3.980 5.722 1.00 0.00 H new ATOM 0 HA GLU A 16 9.139 -4.326 6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.831 -6.301 6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.431 -6.606 6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.869 -4.178 8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.263 -4.871 7.998 1.00 0.00 H new ATOM 261 N LYS A 17 8.045 -5.852 3.484 1.00 0.00 N ATOM 262 CA LYS A 17 8.445 -6.606 2.303 1.00 0.00 C ATOM 263 C LYS A 17 9.394 -5.794 1.424 1.00 0.00 C ATOM 264 O LYS A 17 10.433 -6.294 0.990 1.00 0.00 O ATOM 265 CB LYS A 17 7.212 -7.020 1.498 1.00 0.00 C ATOM 266 CG LYS A 17 7.422 -8.272 0.664 1.00 0.00 C ATOM 267 CD LYS A 17 6.169 -9.132 0.622 1.00 0.00 C ATOM 268 CE LYS A 17 5.119 -8.543 -0.307 1.00 0.00 C ATOM 269 NZ LYS A 17 3.998 -7.917 0.446 1.00 0.00 N ATOM 0 H LYS A 17 7.100 -5.470 3.440 1.00 0.00 H new ATOM 0 HA LYS A 17 8.972 -7.500 2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.380 -7.185 2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.926 -6.199 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.706 -7.991 -0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.248 -8.851 1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.428 -10.137 0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.756 -9.225 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.583 -7.798 -0.953 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.727 -9.327 -0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.304 -7.528 -0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.538 -8.634 1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.367 -7.152 1.046 1.00 0.00 H new ATOM 283 N VAL A 18 9.031 -4.543 1.160 1.00 0.00 N ATOM 284 CA VAL A 18 9.850 -3.667 0.325 1.00 0.00 C ATOM 285 C VAL A 18 11.134 -3.261 1.036 1.00 0.00 C ATOM 286 O VAL A 18 12.226 -3.422 0.496 1.00 0.00 O ATOM 287 CB VAL A 18 9.091 -2.392 -0.086 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.738 -1.757 -1.307 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.624 -2.695 -0.352 1.00 0.00 C ATOM 0 H VAL A 18 8.176 -4.112 1.511 1.00 0.00 H new ATOM 0 HA VAL A 18 10.094 -4.241 -0.569 1.00 0.00 H new ATOM 0 HB VAL A 18 9.144 -1.683 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.188 -0.857 -1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.771 -1.495 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.719 -2.463 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.110 -1.778 -0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.543 -3.425 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.166 -3.099 0.551 1.00 0.00 H new ATOM 299 N LYS A 19 10.998 -2.724 2.245 1.00 0.00 N ATOM 300 CA LYS A 19 12.155 -2.286 3.020 1.00 0.00 C ATOM 301 C LYS A 19 13.227 -3.374 3.089 1.00 0.00 C ATOM 302 O LYS A 19 14.420 -3.078 3.167 1.00 0.00 O ATOM 303 CB LYS A 19 11.728 -1.889 4.433 1.00 0.00 C ATOM 304 CG LYS A 19 11.171 -0.478 4.522 1.00 0.00 C ATOM 305 CD LYS A 19 11.915 0.357 5.552 1.00 0.00 C ATOM 306 CE LYS A 19 11.986 1.818 5.138 1.00 0.00 C ATOM 307 NZ LYS A 19 12.678 2.653 6.160 1.00 0.00 N ATOM 0 H LYS A 19 10.101 -2.582 2.709 1.00 0.00 H new ATOM 0 HA LYS A 19 12.582 -1.420 2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.974 -2.592 4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.585 -1.976 5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.240 0.002 3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.114 -0.520 4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.416 0.275 6.518 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.924 -0.035 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.511 1.900 4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.977 2.200 4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.705 3.642 5.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.163 2.595 7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.649 2.305 6.293 1.00 0.00 H new ATOM 321 N ALA A 20 12.794 -4.631 3.058 1.00 0.00 N ATOM 322 CA ALA A 20 13.718 -5.760 3.117 1.00 0.00 C ATOM 323 C ALA A 20 14.515 -5.901 1.821 1.00 0.00 C ATOM 324 O ALA A 20 15.477 -6.666 1.752 1.00 0.00 O ATOM 325 CB ALA A 20 12.959 -7.046 3.410 1.00 0.00 C ATOM 0 H ALA A 20 11.811 -4.894 2.992 1.00 0.00 H new ATOM 0 HA ALA A 20 14.425 -5.570 3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.659 -7.880 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.445 -6.955 4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.228 -7.225 2.622 1.00 0.00 H new ATOM 331 N LEU A 21 14.105 -5.161 0.795 1.00 0.00 N ATOM 332 CA LEU A 21 14.772 -5.204 -0.501 1.00 0.00 C ATOM 333 C LEU A 21 16.219 -4.724 -0.401 1.00 0.00 C ATOM 334 O LEU A 21 16.626 -4.151 0.610 1.00 0.00 O ATOM 335 CB LEU A 21 13.993 -4.357 -1.518 1.00 0.00 C ATOM 336 CG LEU A 21 14.297 -2.845 -1.546 1.00 0.00 C ATOM 337 CD1 LEU A 21 14.684 -2.309 -0.171 1.00 0.00 C ATOM 338 CD2 LEU A 21 15.394 -2.547 -2.557 1.00 0.00 C ATOM 0 H LEU A 21 13.311 -4.522 0.837 1.00 0.00 H new ATOM 0 HA LEU A 21 14.792 -6.240 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.185 -4.760 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.929 -4.485 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 21 13.381 -2.335 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.889 -1.241 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.865 -2.476 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.575 -2.827 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.599 -1.476 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.300 -3.087 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.071 -2.864 -3.549 1.00 0.00 H new ATOM 350 N GLY A 22 16.988 -4.962 -1.458 1.00 0.00 N ATOM 351 CA GLY A 22 18.379 -4.548 -1.473 1.00 0.00 C ATOM 352 C GLY A 22 18.908 -4.331 -2.879 1.00 0.00 C ATOM 353 O GLY A 22 20.116 -4.385 -3.108 1.00 0.00 O ATOM 0 H GLY A 22 16.673 -5.435 -2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 22 18.486 -3.626 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.985 -5.304 -0.973 1.00 0.00 H new ATOM 357 N GLY A 23 18.004 -4.084 -3.823 1.00 0.00 N ATOM 358 CA GLY A 23 18.408 -3.862 -5.199 1.00 0.00 C ATOM 359 C GLY A 23 17.780 -2.617 -5.795 1.00 0.00 C ATOM 360 O GLY A 23 17.957 -1.515 -5.275 1.00 0.00 O ATOM 0 H GLY A 23 16.999 -4.034 -3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 23 19.494 -3.776 -5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 23 18.131 -4.728 -5.800 1.00 0.00 H new ATOM 364 N GLY A 24 17.046 -2.791 -6.890 1.00 0.00 N ATOM 365 CA GLY A 24 16.402 -1.663 -7.540 1.00 0.00 C ATOM 366 C GLY A 24 15.537 -2.085 -8.711 1.00 0.00 C ATOM 367 O GLY A 24 15.530 -3.254 -9.098 1.00 0.00 O ATOM 0 H GLY A 24 16.886 -3.693 -7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.789 -1.130 -6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.163 -0.965 -7.888 1.00 0.00 H new ATOM 371 N GLY A 25 14.803 -1.131 -9.277 1.00 0.00 N ATOM 372 CA GLY A 25 13.939 -1.431 -10.405 1.00 0.00 C ATOM 373 C GLY A 25 12.475 -1.482 -10.016 1.00 0.00 C ATOM 374 O GLY A 25 11.892 -0.469 -9.629 1.00 0.00 O ATOM 0 H GLY A 25 14.791 -0.157 -8.975 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.080 -0.676 -11.178 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.230 -2.388 -10.838 1.00 0.00 H new ATOM 378 N ARG A 26 11.879 -2.667 -10.117 1.00 0.00 N ATOM 379 CA ARG A 26 10.473 -2.852 -9.772 1.00 0.00 C ATOM 380 C ARG A 26 10.179 -2.326 -8.371 1.00 0.00 C ATOM 381 O ARG A 26 9.167 -1.666 -8.142 1.00 0.00 O ATOM 382 CB ARG A 26 10.102 -4.335 -9.851 1.00 0.00 C ATOM 383 CG ARG A 26 8.682 -4.597 -10.333 1.00 0.00 C ATOM 384 CD ARG A 26 7.675 -3.662 -9.678 1.00 0.00 C ATOM 385 NE ARG A 26 7.560 -2.392 -10.389 1.00 0.00 N ATOM 386 CZ ARG A 26 6.910 -2.242 -11.541 1.00 0.00 C ATOM 387 NH1 ARG A 26 6.319 -3.282 -12.116 1.00 0.00 N ATOM 388 NH2 ARG A 26 6.851 -1.050 -12.119 1.00 0.00 N ATOM 0 H ARG A 26 12.349 -3.514 -10.435 1.00 0.00 H new ATOM 0 HA ARG A 26 9.874 -2.288 -10.487 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.800 -4.838 -10.521 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.228 -4.783 -8.865 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.639 -4.476 -11.415 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.411 -5.630 -10.117 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.700 -4.147 -9.644 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.974 -3.474 -8.647 1.00 0.00 H new ATOM 0 HE ARG A 26 8.004 -1.571 -9.979 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.362 -4.201 -11.675 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.822 -3.162 -12.999 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.304 -0.248 -11.681 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.353 -0.935 -13.002 1.00 0.00 H new ATOM 402 N ILE A 27 11.071 -2.633 -7.437 1.00 0.00 N ATOM 403 CA ILE A 27 10.916 -2.205 -6.052 1.00 0.00 C ATOM 404 C ILE A 27 10.857 -0.684 -5.933 1.00 0.00 C ATOM 405 O ILE A 27 10.241 -0.153 -5.011 1.00 0.00 O ATOM 406 CB ILE A 27 12.062 -2.732 -5.168 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.256 -4.236 -5.379 1.00 0.00 C ATOM 408 CG2 ILE A 27 11.781 -2.429 -3.703 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.706 -4.642 -5.532 1.00 0.00 C ATOM 0 H ILE A 27 11.914 -3.180 -7.615 1.00 0.00 H new ATOM 0 HA ILE A 27 9.972 -2.624 -5.705 1.00 0.00 H new ATOM 0 HB ILE A 27 12.983 -2.225 -5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.824 -4.772 -4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.705 -4.544 -6.267 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.599 -2.807 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.692 -1.351 -3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.850 -2.911 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.768 -5.720 -5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.137 -4.133 -6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.258 -4.365 -4.634 1.00 0.00 H new ATOM 421 N GLU A 28 11.517 0.011 -6.854 1.00 0.00 N ATOM 422 CA GLU A 28 11.550 1.471 -6.835 1.00 0.00 C ATOM 423 C GLU A 28 10.147 2.074 -6.931 1.00 0.00 C ATOM 424 O GLU A 28 9.741 2.857 -6.072 1.00 0.00 O ATOM 425 CB GLU A 28 12.420 1.992 -7.983 1.00 0.00 C ATOM 426 CG GLU A 28 13.447 3.024 -7.547 1.00 0.00 C ATOM 427 CD GLU A 28 14.728 2.392 -7.041 1.00 0.00 C ATOM 428 OE1 GLU A 28 15.092 1.305 -7.538 1.00 0.00 O ATOM 429 OE2 GLU A 28 15.370 2.984 -6.147 1.00 0.00 O ATOM 0 H GLU A 28 12.036 -0.412 -7.623 1.00 0.00 H new ATOM 0 HA GLU A 28 11.979 1.778 -5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.936 1.152 -8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.776 2.431 -8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.677 3.680 -8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.019 3.648 -6.762 1.00 0.00 H new ATOM 436 N GLU A 29 9.415 1.713 -7.980 1.00 0.00 N ATOM 437 CA GLU A 29 8.062 2.228 -8.186 1.00 0.00 C ATOM 438 C GLU A 29 7.159 1.896 -7.001 1.00 0.00 C ATOM 439 O GLU A 29 6.320 2.701 -6.597 1.00 0.00 O ATOM 440 CB GLU A 29 7.466 1.648 -9.474 1.00 0.00 C ATOM 441 CG GLU A 29 6.006 2.015 -9.698 1.00 0.00 C ATOM 442 CD GLU A 29 5.811 3.497 -9.950 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.506 4.046 -10.831 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.964 4.108 -9.266 1.00 0.00 O ATOM 0 H GLU A 29 9.734 1.066 -8.701 1.00 0.00 H new ATOM 0 HA GLU A 29 8.125 3.313 -8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.053 1.997 -10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.558 0.562 -9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.619 1.452 -10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.422 1.718 -8.826 1.00 0.00 H new ATOM 451 N LEU A 30 7.335 0.700 -6.458 1.00 0.00 N ATOM 452 CA LEU A 30 6.540 0.240 -5.326 1.00 0.00 C ATOM 453 C LEU A 30 6.822 1.060 -4.069 1.00 0.00 C ATOM 454 O LEU A 30 6.016 1.078 -3.142 1.00 0.00 O ATOM 455 CB LEU A 30 6.818 -1.239 -5.058 1.00 0.00 C ATOM 456 CG LEU A 30 6.654 -2.150 -6.273 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.361 -3.479 -6.045 1.00 0.00 C ATOM 458 CD2 LEU A 30 5.180 -2.368 -6.577 1.00 0.00 C ATOM 0 H LEU A 30 8.026 0.025 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 30 5.489 0.373 -5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.835 -1.341 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.149 -1.583 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 30 7.113 -1.665 -7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.233 -4.114 -6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.423 -3.302 -5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.934 -3.974 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.080 -3.019 -7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.696 -2.832 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.706 -1.409 -6.786 1.00 0.00 H new ATOM 470 N LYS A 31 7.975 1.720 -4.035 1.00 0.00 N ATOM 471 CA LYS A 31 8.366 2.522 -2.879 1.00 0.00 C ATOM 472 C LYS A 31 7.602 3.843 -2.821 1.00 0.00 C ATOM 473 O LYS A 31 6.964 4.152 -1.818 1.00 0.00 O ATOM 474 CB LYS A 31 9.870 2.795 -2.916 1.00 0.00 C ATOM 475 CG LYS A 31 10.384 3.538 -1.692 1.00 0.00 C ATOM 476 CD LYS A 31 11.567 2.821 -1.060 1.00 0.00 C ATOM 477 CE LYS A 31 12.389 3.761 -0.192 1.00 0.00 C ATOM 478 NZ LYS A 31 13.719 3.184 0.146 1.00 0.00 N ATOM 0 H LYS A 31 8.656 1.716 -4.794 1.00 0.00 H new ATOM 0 HA LYS A 31 8.118 1.953 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.401 1.847 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.104 3.376 -3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.679 4.548 -1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.582 3.634 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.208 1.987 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.199 2.400 -1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.526 4.709 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.843 3.978 0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.248 3.855 0.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.589 2.292 0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.250 3.001 -0.729 1.00 0.00 H new ATOM 492 N LYS A 32 7.682 4.625 -3.891 1.00 0.00 N ATOM 493 CA LYS A 32 7.008 5.920 -3.948 1.00 0.00 C ATOM 494 C LYS A 32 5.517 5.793 -3.634 1.00 0.00 C ATOM 495 O LYS A 32 4.987 6.519 -2.792 1.00 0.00 O ATOM 496 CB LYS A 32 7.195 6.551 -5.329 1.00 0.00 C ATOM 497 CG LYS A 32 8.346 7.541 -5.393 1.00 0.00 C ATOM 498 CD LYS A 32 8.881 7.683 -6.809 1.00 0.00 C ATOM 499 CE LYS A 32 9.832 8.862 -6.929 1.00 0.00 C ATOM 500 NZ LYS A 32 11.253 8.449 -6.760 1.00 0.00 N ATOM 0 H LYS A 32 8.207 4.386 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 32 7.459 6.561 -3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.365 5.761 -6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.274 7.058 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.012 8.513 -5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.147 7.212 -4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.397 6.767 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.050 7.813 -7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.704 9.334 -7.903 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.580 9.610 -6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.869 9.282 -6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.381 8.022 -5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.502 7.754 -7.493 1.00 0.00 H new ATOM 514 N LYS A 33 4.846 4.880 -4.325 1.00 0.00 N ATOM 515 CA LYS A 33 3.414 4.666 -4.136 1.00 0.00 C ATOM 516 C LYS A 33 3.102 4.068 -2.763 1.00 0.00 C ATOM 517 O LYS A 33 1.992 4.214 -2.258 1.00 0.00 O ATOM 518 CB LYS A 33 2.865 3.759 -5.238 1.00 0.00 C ATOM 519 CG LYS A 33 1.702 4.369 -6.004 1.00 0.00 C ATOM 520 CD LYS A 33 0.399 4.249 -5.229 1.00 0.00 C ATOM 521 CE LYS A 33 -0.069 2.805 -5.148 1.00 0.00 C ATOM 522 NZ LYS A 33 -0.166 2.174 -6.494 1.00 0.00 N ATOM 0 H LYS A 33 5.272 4.272 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 33 2.928 5.640 -4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.667 3.525 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.543 2.817 -4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.910 5.419 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.600 3.872 -6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.535 4.646 -4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.369 4.855 -5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.623 2.234 -4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.042 2.766 -4.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.914 1.451 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.394 2.900 -7.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.743 1.729 -6.735 1.00 0.00 H new ATOM 536 N CYS A 34 4.073 3.372 -2.179 1.00 0.00 N ATOM 537 CA CYS A 34 3.882 2.733 -0.876 1.00 0.00 C ATOM 538 C CYS A 34 3.558 3.747 0.223 1.00 0.00 C ATOM 539 O CYS A 34 2.534 3.637 0.897 1.00 0.00 O ATOM 540 CB CYS A 34 5.143 1.957 -0.487 1.00 0.00 C ATOM 541 SG CYS A 34 4.845 0.202 -0.101 1.00 0.00 S ATOM 0 H CYS A 34 4.999 3.235 -2.584 1.00 0.00 H new ATOM 0 HA CYS A 34 3.033 2.056 -0.970 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.863 2.022 -1.303 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.599 2.436 0.379 1.00 0.00 H new ATOM 546 N GLU A 35 4.450 4.714 0.416 1.00 0.00 N ATOM 547 CA GLU A 35 4.272 5.727 1.455 1.00 0.00 C ATOM 548 C GLU A 35 3.105 6.660 1.152 1.00 0.00 C ATOM 549 O GLU A 35 2.210 6.826 1.977 1.00 0.00 O ATOM 550 CB GLU A 35 5.555 6.538 1.640 1.00 0.00 C ATOM 551 CG GLU A 35 6.156 7.026 0.336 1.00 0.00 C ATOM 552 CD GLU A 35 6.484 8.507 0.359 1.00 0.00 C ATOM 553 OE1 GLU A 35 7.166 8.949 1.307 1.00 0.00 O ATOM 554 OE2 GLU A 35 6.057 9.223 -0.571 1.00 0.00 O ATOM 0 H GLU A 35 5.304 4.819 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 35 4.043 5.199 2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.344 7.397 2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.290 5.926 2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.064 6.461 0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.459 6.825 -0.478 1.00 0.00 H new ATOM 561 N GLU A 36 3.116 7.272 -0.028 1.00 0.00 N ATOM 562 CA GLU A 36 2.055 8.192 -0.423 1.00 0.00 C ATOM 563 C GLU A 36 0.677 7.585 -0.173 1.00 0.00 C ATOM 564 O GLU A 36 -0.298 8.298 0.058 1.00 0.00 O ATOM 565 CB GLU A 36 2.198 8.565 -1.900 1.00 0.00 C ATOM 566 CG GLU A 36 1.270 9.687 -2.335 1.00 0.00 C ATOM 567 CD GLU A 36 0.508 9.356 -3.603 1.00 0.00 C ATOM 568 OE1 GLU A 36 0.961 8.466 -4.354 1.00 0.00 O ATOM 569 OE2 GLU A 36 -0.542 9.989 -3.848 1.00 0.00 O ATOM 0 H GLU A 36 3.848 7.147 -0.727 1.00 0.00 H new ATOM 0 HA GLU A 36 2.149 9.091 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.229 8.861 -2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.000 7.684 -2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.561 9.898 -1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.853 10.595 -2.492 1.00 0.00 H new ATOM 576 N LEU A 37 0.610 6.261 -0.229 1.00 0.00 N ATOM 577 CA LEU A 37 -0.637 5.541 -0.018 1.00 0.00 C ATOM 578 C LEU A 37 -1.097 5.644 1.435 1.00 0.00 C ATOM 579 O LEU A 37 -2.285 5.815 1.708 1.00 0.00 O ATOM 580 CB LEU A 37 -0.459 4.070 -0.418 1.00 0.00 C ATOM 581 CG LEU A 37 -1.576 3.119 0.021 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.944 3.765 -0.157 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.494 1.813 -0.759 1.00 0.00 C ATOM 0 H LEU A 37 1.412 5.661 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.406 5.995 -0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.368 4.017 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.482 3.711 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.443 2.902 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.719 3.069 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.000 4.671 0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.093 4.018 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.294 1.146 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.599 2.018 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.530 1.339 -0.575 1.00 0.00 H new ATOM 595 N LYS A 38 -0.152 5.535 2.363 1.00 0.00 N ATOM 596 CA LYS A 38 -0.467 5.613 3.786 1.00 0.00 C ATOM 597 C LYS A 38 -1.066 6.971 4.144 1.00 0.00 C ATOM 598 O LYS A 38 -2.180 7.053 4.660 1.00 0.00 O ATOM 599 CB LYS A 38 0.790 5.359 4.622 1.00 0.00 C ATOM 600 CG LYS A 38 0.910 3.926 5.118 1.00 0.00 C ATOM 601 CD LYS A 38 2.299 3.639 5.663 1.00 0.00 C ATOM 602 CE LYS A 38 2.460 2.173 6.032 1.00 0.00 C ATOM 603 NZ LYS A 38 1.762 1.840 7.305 1.00 0.00 N ATOM 0 H LYS A 38 0.837 5.393 2.156 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.207 4.844 4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.669 5.603 4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.789 6.033 5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.168 3.746 5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.689 3.238 4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.047 3.912 4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.482 4.259 6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.066 1.551 5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.520 1.937 6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.463 1.713 8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.114 2.613 7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.220 0.960 7.184 1.00 0.00 H new ATOM 617 N LYS A 39 -0.317 8.035 3.869 1.00 0.00 N ATOM 618 CA LYS A 39 -0.768 9.391 4.160 1.00 0.00 C ATOM 619 C LYS A 39 -2.139 9.661 3.548 1.00 0.00 C ATOM 620 O LYS A 39 -2.907 10.479 4.057 1.00 0.00 O ATOM 621 CB LYS A 39 0.249 10.409 3.636 1.00 0.00 C ATOM 622 CG LYS A 39 0.508 10.299 2.143 1.00 0.00 C ATOM 623 CD LYS A 39 1.805 10.990 1.752 1.00 0.00 C ATOM 624 CE LYS A 39 1.692 11.665 0.396 1.00 0.00 C ATOM 625 NZ LYS A 39 1.542 13.142 0.521 1.00 0.00 N ATOM 0 H LYS A 39 0.608 7.983 3.443 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.854 9.492 5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.107 11.414 3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.190 10.277 4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.553 9.248 1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.322 10.743 1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.065 11.731 2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.614 10.260 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.578 11.439 -0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.836 11.257 -0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.468 13.565 -0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.683 13.359 1.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.371 13.535 1.012 1.00 0.00 H new ATOM 639 N LYS A 40 -2.442 8.970 2.454 1.00 0.00 N ATOM 640 CA LYS A 40 -3.723 9.136 1.777 1.00 0.00 C ATOM 641 C LYS A 40 -4.865 8.584 2.626 1.00 0.00 C ATOM 642 O LYS A 40 -6.002 9.042 2.524 1.00 0.00 O ATOM 643 CB LYS A 40 -3.700 8.439 0.415 1.00 0.00 C ATOM 644 CG LYS A 40 -4.466 9.189 -0.663 1.00 0.00 C ATOM 645 CD LYS A 40 -4.353 8.495 -2.011 1.00 0.00 C ATOM 646 CE LYS A 40 -4.650 9.450 -3.155 1.00 0.00 C ATOM 647 NZ LYS A 40 -4.546 8.780 -4.480 1.00 0.00 N ATOM 0 H LYS A 40 -1.819 8.291 2.018 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.889 10.203 1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.665 8.317 0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.121 7.439 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.515 9.266 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.082 10.206 -0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.349 8.086 -2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.046 7.654 -2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.652 9.861 -3.034 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.955 10.289 -3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.853 9.283 -5.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.238 7.795 -4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.474 8.793 -4.949 1.00 0.00 H new ATOM 661 N ILE A 41 -4.555 7.605 3.468 1.00 0.00 N ATOM 662 CA ILE A 41 -5.560 7.003 4.337 1.00 0.00 C ATOM 663 C ILE A 41 -5.920 7.947 5.476 1.00 0.00 C ATOM 664 O ILE A 41 -7.052 7.952 5.959 1.00 0.00 O ATOM 665 CB ILE A 41 -5.075 5.663 4.925 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.412 4.811 3.839 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.238 4.915 5.563 1.00 0.00 C ATOM 668 CD1 ILE A 41 -4.024 3.423 4.306 1.00 0.00 C ATOM 0 H ILE A 41 -3.619 7.212 3.568 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.441 6.815 3.724 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.333 5.868 5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.093 4.723 2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.521 5.326 3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.881 3.971 5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.665 5.520 6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.001 4.718 4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.561 2.879 3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.318 3.501 5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.914 2.889 4.639 1.00 0.00 H new ATOM 680 N GLU A 42 -4.950 8.754 5.897 1.00 0.00 N ATOM 681 CA GLU A 42 -5.165 9.711 6.973 1.00 0.00 C ATOM 682 C GLU A 42 -6.095 10.829 6.513 1.00 0.00 C ATOM 683 O GLU A 42 -6.897 11.345 7.291 1.00 0.00 O ATOM 684 CB GLU A 42 -3.832 10.298 7.440 1.00 0.00 C ATOM 685 CG GLU A 42 -2.987 9.321 8.242 1.00 0.00 C ATOM 686 CD GLU A 42 -3.573 9.026 9.609 1.00 0.00 C ATOM 687 OE1 GLU A 42 -4.742 9.397 9.848 1.00 0.00 O ATOM 688 OE2 GLU A 42 -2.863 8.423 10.442 1.00 0.00 O ATOM 0 H GLU A 42 -4.007 8.763 5.508 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.630 9.189 7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.264 10.628 6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.026 11.182 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.889 8.389 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.983 9.728 8.362 1.00 0.00 H new ATOM 695 N GLU A 43 -5.984 11.194 5.240 1.00 0.00 N ATOM 696 CA GLU A 43 -6.818 12.244 4.670 1.00 0.00 C ATOM 697 C GLU A 43 -8.252 11.753 4.491 1.00 0.00 C ATOM 698 O GLU A 43 -9.202 12.534 4.543 1.00 0.00 O ATOM 699 CB GLU A 43 -6.244 12.714 3.328 1.00 0.00 C ATOM 700 CG GLU A 43 -6.401 11.713 2.192 1.00 0.00 C ATOM 701 CD GLU A 43 -6.717 12.381 0.868 1.00 0.00 C ATOM 702 OE1 GLU A 43 -7.694 13.157 0.812 1.00 0.00 O ATOM 703 OE2 GLU A 43 -5.986 12.127 -0.113 1.00 0.00 O ATOM 0 H GLU A 43 -5.324 10.777 4.584 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.826 13.088 5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.732 13.646 3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.185 12.935 3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.483 11.134 2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.196 11.010 2.439 1.00 0.00 H new ATOM 710 N LEU A 44 -8.392 10.450 4.279 1.00 0.00 N ATOM 711 CA LEU A 44 -9.699 9.833 4.090 1.00 0.00 C ATOM 712 C LEU A 44 -10.601 10.084 5.294 1.00 0.00 C ATOM 713 O LEU A 44 -10.147 10.560 6.334 1.00 0.00 O ATOM 714 CB LEU A 44 -9.536 8.328 3.854 1.00 0.00 C ATOM 715 CG LEU A 44 -9.687 7.878 2.401 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.507 6.373 2.288 1.00 0.00 C ATOM 717 CD2 LEU A 44 -11.042 8.299 1.852 1.00 0.00 C ATOM 0 H LEU A 44 -7.610 9.796 4.233 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.169 10.284 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.552 8.025 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.272 7.799 4.460 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.911 8.361 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.618 6.070 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.514 6.098 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.260 5.870 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.133 7.971 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.833 7.844 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.132 9.384 1.898 1.00 0.00 H new ATOM 729 N GLY A 45 -11.882 9.761 5.146 1.00 0.00 N ATOM 730 CA GLY A 45 -12.827 9.960 6.229 1.00 0.00 C ATOM 731 C GLY A 45 -13.708 8.748 6.461 1.00 0.00 C ATOM 732 O GLY A 45 -13.219 7.673 6.806 1.00 0.00 O ATOM 0 H GLY A 45 -12.282 9.365 4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.282 10.190 7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.454 10.823 6.006 1.00 0.00 H new ATOM 736 N GLY A 46 -15.012 8.922 6.272 1.00 0.00 N ATOM 737 CA GLY A 46 -15.943 7.826 6.468 1.00 0.00 C ATOM 738 C GLY A 46 -15.869 6.796 5.358 1.00 0.00 C ATOM 739 O GLY A 46 -14.781 6.447 4.898 1.00 0.00 O ATOM 0 H GLY A 46 -15.441 9.802 5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.734 7.343 7.422 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.957 8.221 6.526 1.00 0.00 H new ATOM 743 N GLY A 47 -17.028 6.309 4.928 1.00 0.00 N ATOM 744 CA GLY A 47 -17.067 5.318 3.868 1.00 0.00 C ATOM 745 C GLY A 47 -17.201 5.941 2.492 1.00 0.00 C ATOM 746 O GLY A 47 -17.314 7.159 2.364 1.00 0.00 O ATOM 0 H GLY A 47 -17.940 6.582 5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -16.158 4.717 3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.904 4.641 4.039 1.00 0.00 H new ATOM 750 N GLY A 48 -17.187 5.102 1.462 1.00 0.00 N ATOM 751 CA GLY A 48 -17.309 5.595 0.102 1.00 0.00 C ATOM 752 C GLY A 48 -15.964 5.781 -0.570 1.00 0.00 C ATOM 753 O GLY A 48 -15.537 4.941 -1.364 1.00 0.00 O ATOM 0 H GLY A 48 -17.093 4.090 1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.910 4.897 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -17.842 6.546 0.110 1.00 0.00 H new ATOM 757 N GLU A 49 -15.294 6.885 -0.254 1.00 0.00 N ATOM 758 CA GLU A 49 -13.988 7.180 -0.833 1.00 0.00 C ATOM 759 C GLU A 49 -12.956 6.127 -0.433 1.00 0.00 C ATOM 760 O GLU A 49 -11.905 6.005 -1.064 1.00 0.00 O ATOM 761 CB GLU A 49 -13.515 8.566 -0.393 1.00 0.00 C ATOM 762 CG GLU A 49 -12.344 9.096 -1.204 1.00 0.00 C ATOM 763 CD GLU A 49 -12.042 10.552 -0.911 1.00 0.00 C ATOM 764 OE1 GLU A 49 -12.881 11.413 -1.250 1.00 0.00 O ATOM 765 OE2 GLU A 49 -10.966 10.833 -0.342 1.00 0.00 O ATOM 0 H GLU A 49 -15.634 7.590 0.400 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.091 7.163 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.347 9.266 -0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.230 8.526 0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.459 8.496 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.561 8.981 -2.266 1.00 0.00 H new ATOM 772 N VAL A 50 -13.259 5.368 0.617 1.00 0.00 N ATOM 773 CA VAL A 50 -12.355 4.328 1.095 1.00 0.00 C ATOM 774 C VAL A 50 -12.132 3.249 0.038 1.00 0.00 C ATOM 775 O VAL A 50 -11.185 2.467 0.131 1.00 0.00 O ATOM 776 CB VAL A 50 -12.891 3.666 2.380 1.00 0.00 C ATOM 777 CG1 VAL A 50 -11.870 2.691 2.947 1.00 0.00 C ATOM 778 CG2 VAL A 50 -13.259 4.722 3.413 1.00 0.00 C ATOM 0 H VAL A 50 -14.123 5.454 1.152 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.405 4.817 1.311 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.792 3.107 2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.267 2.234 3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.661 1.914 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.949 3.225 3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.635 4.235 4.313 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.376 5.311 3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -14.029 5.377 3.006 1.00 0.00 H new ATOM 788 N LYS A 51 -13.007 3.204 -0.963 1.00 0.00 N ATOM 789 CA LYS A 51 -12.898 2.215 -2.030 1.00 0.00 C ATOM 790 C LYS A 51 -11.743 2.547 -2.971 1.00 0.00 C ATOM 791 O LYS A 51 -11.098 1.653 -3.516 1.00 0.00 O ATOM 792 CB LYS A 51 -14.207 2.137 -2.817 1.00 0.00 C ATOM 793 CG LYS A 51 -14.454 0.779 -3.455 1.00 0.00 C ATOM 794 CD LYS A 51 -14.275 0.831 -4.964 1.00 0.00 C ATOM 795 CE LYS A 51 -14.311 -0.561 -5.576 1.00 0.00 C ATOM 796 NZ LYS A 51 -15.672 -1.161 -5.511 1.00 0.00 N ATOM 0 H LYS A 51 -13.798 3.840 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.699 1.246 -1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.037 2.372 -2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.199 2.899 -3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.767 0.046 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.464 0.443 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.062 1.444 -5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.326 1.311 -5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.986 -0.509 -6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.605 -1.206 -5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.654 -2.109 -5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.972 -1.234 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.342 -0.559 -6.031 1.00 0.00 H new ATOM 810 N LYS A 52 -11.491 3.839 -3.159 1.00 0.00 N ATOM 811 CA LYS A 52 -10.415 4.287 -4.038 1.00 0.00 C ATOM 812 C LYS A 52 -9.052 3.887 -3.479 1.00 0.00 C ATOM 813 O LYS A 52 -8.278 3.198 -4.142 1.00 0.00 O ATOM 814 CB LYS A 52 -10.486 5.806 -4.221 1.00 0.00 C ATOM 815 CG LYS A 52 -9.284 6.396 -4.945 1.00 0.00 C ATOM 816 CD LYS A 52 -9.205 5.915 -6.385 1.00 0.00 C ATOM 817 CE LYS A 52 -9.122 7.079 -7.361 1.00 0.00 C ATOM 818 NZ LYS A 52 -7.929 7.933 -7.106 1.00 0.00 N ATOM 0 H LYS A 52 -12.016 4.593 -2.716 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.540 3.804 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.390 6.053 -4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.575 6.276 -3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.346 7.484 -4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.370 6.120 -4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.332 5.274 -6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.081 5.308 -6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.083 6.696 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.025 7.684 -7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.692 8.465 -7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.137 8.598 -6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.123 7.333 -6.838 1.00 0.00 H new ATOM 832 N VAL A 53 -8.767 4.324 -2.256 1.00 0.00 N ATOM 833 CA VAL A 53 -7.498 4.010 -1.610 1.00 0.00 C ATOM 834 C VAL A 53 -7.312 2.504 -1.462 1.00 0.00 C ATOM 835 O VAL A 53 -6.186 2.012 -1.400 1.00 0.00 O ATOM 836 CB VAL A 53 -7.398 4.665 -0.219 1.00 0.00 C ATOM 837 CG1 VAL A 53 -5.999 4.496 0.355 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.779 6.137 -0.294 1.00 0.00 C ATOM 0 H VAL A 53 -9.397 4.896 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.712 4.410 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.100 4.165 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.950 4.966 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.770 3.434 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.274 4.967 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.703 6.584 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.105 6.653 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.803 6.230 -0.656 1.00 0.00 H new ATOM 848 N GLU A 54 -8.422 1.774 -1.412 1.00 0.00 N ATOM 849 CA GLU A 54 -8.376 0.322 -1.276 1.00 0.00 C ATOM 850 C GLU A 54 -7.765 -0.313 -2.520 1.00 0.00 C ATOM 851 O GLU A 54 -7.025 -1.294 -2.430 1.00 0.00 O ATOM 852 CB GLU A 54 -9.782 -0.235 -1.039 1.00 0.00 C ATOM 853 CG GLU A 54 -10.108 -0.457 0.429 1.00 0.00 C ATOM 854 CD GLU A 54 -10.502 -1.890 0.730 1.00 0.00 C ATOM 855 OE1 GLU A 54 -11.031 -2.564 -0.180 1.00 0.00 O ATOM 856 OE2 GLU A 54 -10.282 -2.340 1.874 1.00 0.00 O ATOM 0 H GLU A 54 -9.363 2.163 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.751 0.078 -0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.513 0.452 -1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.884 -1.180 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.242 -0.188 1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.921 0.208 0.721 1.00 0.00 H new ATOM 863 N GLU A 55 -8.078 0.257 -3.679 1.00 0.00 N ATOM 864 CA GLU A 55 -7.559 -0.245 -4.945 1.00 0.00 C ATOM 865 C GLU A 55 -6.078 0.089 -5.095 1.00 0.00 C ATOM 866 O GLU A 55 -5.335 -0.620 -5.774 1.00 0.00 O ATOM 867 CB GLU A 55 -8.348 0.350 -6.112 1.00 0.00 C ATOM 868 CG GLU A 55 -7.900 -0.160 -7.472 1.00 0.00 C ATOM 869 CD GLU A 55 -7.679 0.958 -8.472 1.00 0.00 C ATOM 870 OE1 GLU A 55 -6.993 1.941 -8.123 1.00 0.00 O ATOM 871 OE2 GLU A 55 -8.194 0.852 -9.606 1.00 0.00 O ATOM 0 H GLU A 55 -8.690 1.068 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.671 -1.329 -4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.406 0.122 -5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.250 1.435 -6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.976 -0.727 -7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.650 -0.848 -7.862 1.00 0.00 H new ATOM 878 N GLU A 56 -5.656 1.175 -4.455 1.00 0.00 N ATOM 879 CA GLU A 56 -4.267 1.614 -4.512 1.00 0.00 C ATOM 880 C GLU A 56 -3.360 0.666 -3.730 1.00 0.00 C ATOM 881 O GLU A 56 -2.185 0.504 -4.059 1.00 0.00 O ATOM 882 CB GLU A 56 -4.143 3.032 -3.952 1.00 0.00 C ATOM 883 CG GLU A 56 -4.463 4.118 -4.965 1.00 0.00 C ATOM 884 CD GLU A 56 -5.111 5.334 -4.331 1.00 0.00 C ATOM 885 OE1 GLU A 56 -4.534 5.879 -3.368 1.00 0.00 O ATOM 886 OE2 GLU A 56 -6.197 5.739 -4.797 1.00 0.00 O ATOM 0 H GLU A 56 -6.260 1.770 -3.888 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.951 1.608 -5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.812 3.136 -3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.128 3.180 -3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.545 4.421 -5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.127 3.713 -5.728 1.00 0.00 H new ATOM 893 N VAL A 57 -3.914 0.044 -2.695 1.00 0.00 N ATOM 894 CA VAL A 57 -3.160 -0.887 -1.864 1.00 0.00 C ATOM 895 C VAL A 57 -3.124 -2.277 -2.487 1.00 0.00 C ATOM 896 O VAL A 57 -2.215 -3.060 -2.228 1.00 0.00 O ATOM 897 CB VAL A 57 -3.758 -0.994 -0.449 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.836 -1.794 0.459 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.022 0.388 0.132 1.00 0.00 C ATOM 0 H VAL A 57 -4.886 0.168 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.146 -0.492 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.711 -1.518 -0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.274 -1.860 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.706 -2.797 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.867 -1.299 0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.444 0.288 1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.086 0.944 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.725 0.923 -0.507 1.00 0.00 H new ATOM 909 N LYS A 58 -4.133 -2.578 -3.297 1.00 0.00 N ATOM 910 CA LYS A 58 -4.237 -3.876 -3.953 1.00 0.00 C ATOM 911 C LYS A 58 -3.257 -3.999 -5.119 1.00 0.00 C ATOM 912 O LYS A 58 -2.836 -5.099 -5.470 1.00 0.00 O ATOM 913 CB LYS A 58 -5.667 -4.096 -4.448 1.00 0.00 C ATOM 914 CG LYS A 58 -6.468 -5.058 -3.584 1.00 0.00 C ATOM 915 CD LYS A 58 -7.927 -5.101 -4.007 1.00 0.00 C ATOM 916 CE LYS A 58 -8.815 -5.617 -2.886 1.00 0.00 C ATOM 917 NZ LYS A 58 -8.622 -7.075 -2.652 1.00 0.00 N ATOM 0 H LYS A 58 -4.895 -1.936 -3.516 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.981 -4.642 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.183 -3.136 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.635 -4.478 -5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.038 -6.057 -3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.399 -4.754 -2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.252 -4.103 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.035 -5.741 -4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.597 -5.070 -1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.859 -5.424 -3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.245 -7.388 -1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.855 -7.600 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.631 -7.257 -2.393 1.00 0.00 H new ATOM 931 N LYS A 59 -2.921 -2.870 -5.734 1.00 0.00 N ATOM 932 CA LYS A 59 -2.012 -2.862 -6.879 1.00 0.00 C ATOM 933 C LYS A 59 -0.557 -3.071 -6.461 1.00 0.00 C ATOM 934 O LYS A 59 0.187 -3.782 -7.134 1.00 0.00 O ATOM 935 CB LYS A 59 -2.143 -1.545 -7.648 1.00 0.00 C ATOM 936 CG LYS A 59 -1.194 -1.431 -8.835 1.00 0.00 C ATOM 937 CD LYS A 59 -0.242 -0.253 -8.682 1.00 0.00 C ATOM 938 CE LYS A 59 -0.696 0.940 -9.507 1.00 0.00 C ATOM 939 NZ LYS A 59 -1.982 1.504 -9.009 1.00 0.00 N ATOM 0 H LYS A 59 -3.263 -1.949 -5.461 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.296 -3.695 -7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.168 -1.442 -8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.958 -0.716 -6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.620 -2.353 -8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.771 -1.316 -9.753 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.180 0.032 -7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.760 -0.551 -8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.073 1.712 -9.482 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.811 0.639 -10.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.938 2.543 -9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.762 1.175 -9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.144 1.188 -8.032 1.00 0.00 H new ATOM 953 N LEU A 60 -0.148 -2.435 -5.368 1.00 0.00 N ATOM 954 CA LEU A 60 1.231 -2.552 -4.899 1.00 0.00 C ATOM 955 C LEU A 60 1.479 -3.866 -4.169 1.00 0.00 C ATOM 956 O LEU A 60 2.606 -4.348 -4.124 1.00 0.00 O ATOM 957 CB LEU A 60 1.593 -1.383 -3.988 1.00 0.00 C ATOM 958 CG LEU A 60 3.067 -0.977 -4.044 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.207 0.481 -4.441 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.752 -1.243 -2.713 1.00 0.00 C ATOM 0 H LEU A 60 -0.744 -1.838 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 60 1.868 -2.533 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.980 -0.523 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.339 -1.645 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 60 3.558 -1.585 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.263 0.749 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.762 0.635 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.697 1.108 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.799 -0.947 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.259 -0.668 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.690 -2.305 -2.478 1.00 0.00 H new ATOM 972 N GLU A 61 0.434 -4.436 -3.594 1.00 0.00 N ATOM 973 CA GLU A 61 0.560 -5.692 -2.869 1.00 0.00 C ATOM 974 C GLU A 61 0.819 -6.847 -3.831 1.00 0.00 C ATOM 975 O GLU A 61 1.734 -7.646 -3.633 1.00 0.00 O ATOM 976 CB GLU A 61 -0.708 -5.959 -2.058 1.00 0.00 C ATOM 977 CG GLU A 61 -0.439 -6.497 -0.665 1.00 0.00 C ATOM 978 CD GLU A 61 -1.559 -7.382 -0.155 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.561 -6.837 0.356 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.436 -8.620 -0.266 1.00 0.00 O ATOM 0 H GLU A 61 -0.510 -4.051 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 61 1.408 -5.613 -2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.278 -5.034 -1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.331 -6.671 -2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.492 -7.064 -0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.299 -5.662 0.022 1.00 0.00 H new ATOM 987 N GLU A 62 0.001 -6.925 -4.875 1.00 0.00 N ATOM 988 CA GLU A 62 0.122 -7.973 -5.882 1.00 0.00 C ATOM 989 C GLU A 62 1.387 -7.798 -6.719 1.00 0.00 C ATOM 990 O GLU A 62 1.923 -8.767 -7.259 1.00 0.00 O ATOM 991 CB GLU A 62 -1.108 -7.960 -6.790 1.00 0.00 C ATOM 992 CG GLU A 62 -1.600 -9.346 -7.166 1.00 0.00 C ATOM 993 CD GLU A 62 -2.484 -9.336 -8.397 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.193 -8.330 -8.612 1.00 0.00 O ATOM 995 OE2 GLU A 62 -2.468 -10.335 -9.148 1.00 0.00 O ATOM 0 H GLU A 62 -0.760 -6.268 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 62 0.189 -8.932 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.913 -7.421 -6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.872 -7.408 -7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.743 -9.996 -7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.154 -9.771 -6.329 1.00 0.00 H new ATOM 1002 N GLU A 63 1.852 -6.560 -6.831 1.00 0.00 N ATOM 1003 CA GLU A 63 3.046 -6.256 -7.613 1.00 0.00 C ATOM 1004 C GLU A 63 4.282 -6.935 -7.025 1.00 0.00 C ATOM 1005 O GLU A 63 4.946 -7.726 -7.695 1.00 0.00 O ATOM 1006 CB GLU A 63 3.259 -4.740 -7.670 1.00 0.00 C ATOM 1007 CG GLU A 63 3.035 -4.145 -9.050 1.00 0.00 C ATOM 1008 CD GLU A 63 4.008 -4.679 -10.083 1.00 0.00 C ATOM 1009 OE1 GLU A 63 4.901 -5.470 -9.708 1.00 0.00 O ATOM 1010 OE2 GLU A 63 3.880 -4.305 -11.268 1.00 0.00 O ATOM 0 H GLU A 63 1.420 -5.748 -6.390 1.00 0.00 H new ATOM 0 HA GLU A 63 2.898 -6.641 -8.622 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.583 -4.260 -6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.274 -4.512 -7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.016 -4.359 -9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.130 -3.061 -8.993 1.00 0.00 H new ATOM 1017 N ILE A 64 4.583 -6.615 -5.771 1.00 0.00 N ATOM 1018 CA ILE A 64 5.737 -7.181 -5.082 1.00 0.00 C ATOM 1019 C ILE A 64 5.762 -8.704 -5.196 1.00 0.00 C ATOM 1020 O ILE A 64 6.828 -9.320 -5.167 1.00 0.00 O ATOM 1021 CB ILE A 64 5.744 -6.790 -3.589 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.609 -5.273 -3.430 1.00 0.00 C ATOM 1023 CG2 ILE A 64 7.016 -7.285 -2.917 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.616 -4.813 -1.986 1.00 0.00 C ATOM 0 H ILE A 64 4.039 -5.962 -5.208 1.00 0.00 H new ATOM 0 HA ILE A 64 6.624 -6.772 -5.566 1.00 0.00 H new ATOM 0 HB ILE A 64 4.890 -7.263 -3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.426 -4.786 -3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.682 -4.947 -3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.006 -7.001 -1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.072 -8.370 -3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.883 -6.838 -3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.517 -3.728 -1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.783 -5.272 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.554 -5.108 -1.515 1.00 0.00 H new ATOM 1036 N LYS A 65 4.584 -9.306 -5.326 1.00 0.00 N ATOM 1037 CA LYS A 65 4.477 -10.756 -5.442 1.00 0.00 C ATOM 1038 C LYS A 65 5.141 -11.250 -6.723 1.00 0.00 C ATOM 1039 O LYS A 65 5.676 -12.357 -6.770 1.00 0.00 O ATOM 1040 CB LYS A 65 3.009 -11.186 -5.414 1.00 0.00 C ATOM 1041 CG LYS A 65 2.505 -11.536 -4.024 1.00 0.00 C ATOM 1042 CD LYS A 65 1.174 -10.867 -3.726 1.00 0.00 C ATOM 1043 CE LYS A 65 0.768 -11.054 -2.273 1.00 0.00 C ATOM 1044 NZ LYS A 65 -0.709 -11.009 -2.098 1.00 0.00 N ATOM 0 H LYS A 65 3.691 -8.813 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 65 4.993 -11.202 -4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.396 -10.383 -5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.879 -12.049 -6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.397 -12.617 -3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.241 -11.229 -3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.242 -9.803 -3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.404 -11.282 -4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.147 -12.009 -1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.229 -10.276 -1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.960 -10.219 -1.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.164 -10.874 -3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.036 -11.903 -1.679 1.00 0.00 H new ATOM 1058 N LYS A 66 5.106 -10.419 -7.761 1.00 0.00 N ATOM 1059 CA LYS A 66 5.707 -10.772 -9.041 1.00 0.00 C ATOM 1060 C LYS A 66 7.229 -10.751 -8.944 1.00 0.00 C ATOM 1061 O LYS A 66 7.895 -11.743 -9.242 1.00 0.00 O ATOM 1062 CB LYS A 66 5.240 -9.806 -10.132 1.00 0.00 C ATOM 1063 CG LYS A 66 3.741 -9.847 -10.380 1.00 0.00 C ATOM 1064 CD LYS A 66 3.399 -10.714 -11.581 1.00 0.00 C ATOM 1065 CE LYS A 66 3.802 -10.043 -12.885 1.00 0.00 C ATOM 1066 NZ LYS A 66 2.933 -8.875 -13.201 1.00 0.00 N ATOM 0 H LYS A 66 4.668 -9.498 -7.740 1.00 0.00 H new ATOM 0 HA LYS A 66 5.388 -11.781 -9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.526 -8.792 -9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.760 -10.041 -11.061 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.235 -10.233 -9.495 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.370 -8.835 -10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.906 -11.675 -11.493 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.328 -10.918 -11.591 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.840 -9.716 -12.819 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.747 -10.767 -13.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.090 -8.582 -14.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.935 -9.140 -13.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.166 -8.086 -12.564 1.00 0.00 H new ATOM 1080 N LEU A 67 7.770 -9.614 -8.523 1.00 0.00 N ATOM 1081 CA LEU A 67 9.211 -9.457 -8.383 1.00 0.00 C ATOM 1082 C LEU A 67 9.752 -10.365 -7.284 1.00 0.00 C ATOM 1083 O LEU A 67 8.934 -11.007 -6.592 1.00 0.00 O ATOM 1084 CB LEU A 67 9.555 -7.998 -8.072 1.00 0.00 C ATOM 1085 CG LEU A 67 8.588 -7.290 -7.119 1.00 0.00 C ATOM 1086 CD1 LEU A 67 9.352 -6.462 -6.095 1.00 0.00 C ATOM 1087 CD2 LEU A 67 7.622 -6.414 -7.900 1.00 0.00 C ATOM 1088 OXT LEU A 67 10.990 -10.428 -7.125 1.00 0.00 O ATOM 0 H LEU A 67 7.230 -8.786 -8.272 1.00 0.00 H new ATOM 0 HA LEU A 67 9.678 -9.741 -9.326 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.556 -7.961 -7.642 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.589 -7.442 -9.009 1.00 0.00 H new ATOM 0 HG LEU A 67 8.015 -8.048 -6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.646 -5.967 -5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.005 -7.114 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.953 -5.711 -6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.941 -5.917 -7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.182 -5.664 -8.460 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.050 -7.031 -8.593 1.00 0.00 H new TER 1100 LEU A 67 HETATM 1101 C6 HTS A 101 7.891 2.504 3.251 1.00 0.00 C HETATM 1102 C1 HTS A 101 6.680 1.915 2.956 1.00 0.00 C HETATM 1103 C2 HTS A 101 6.628 0.743 2.212 1.00 0.00 C HETATM 1104 C3 HTS A 101 7.807 0.169 1.766 1.00 0.00 C HETATM 1105 C4 HTS A 101 9.022 0.756 2.058 1.00 0.00 C HETATM 1106 C5 HTS A 101 9.066 1.923 2.801 1.00 0.00 C HETATM 1107 O1 HTS A 101 5.503 2.479 3.395 1.00 0.00 O HETATM 1108 S1 HTS A 101 5.026 0.123 1.918 1.00 0.00 S HETATM 0 HO1 HTS A 101 5.448 2.403 4.370 1.00 0.00 H new HETATM 0 H6 HTS A 101 7.924 3.423 3.836 1.00 0.00 H new HETATM 0 H5 HTS A 101 10.026 2.385 3.032 1.00 0.00 H new HETATM 0 H4 HTS A 101 9.947 0.300 1.703 1.00 0.00 H new HETATM 0 H3 HTS A 101 7.775 -0.751 1.182 1.00 0.00 H new