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= 0.0542 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= -0.0259 (180deg=-0.303) 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+ 177:sc= 0.203 (180deg=0.145) USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.729 (180deg=-1.67) USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= -0.0242 (180deg=-0.0784) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -0.0108 (180deg=-0.137) USER MOD Single : A 58 LYS NZ :NH3+ -156:sc= 0.108 (180deg=0.00816) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -146:sc= -0.0946 (180deg=-0.893) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HTS O1 : rot 172:sc= 0.975 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.974 -6.069 11.203 1.00 0.00 N ATOM 2 CA GLY A 1 -16.824 -4.858 12.057 1.00 0.00 C ATOM 3 C GLY A 1 -15.791 -3.891 11.517 1.00 0.00 C ATOM 4 O GLY A 1 -16.128 -2.792 11.077 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.692 -6.698 11.616 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.270 -5.785 10.247 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.064 -6.570 11.149 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.786 -4.351 12.135 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.541 -5.161 13.065 1.00 0.00 H new ATOM 10 N SER A 2 -14.526 -4.300 11.550 1.00 0.00 N ATOM 11 CA SER A 2 -13.439 -3.461 11.060 1.00 0.00 C ATOM 12 C SER A 2 -13.569 -3.223 9.559 1.00 0.00 C ATOM 13 O SER A 2 -14.180 -4.018 8.845 1.00 0.00 O ATOM 14 CB SER A 2 -12.088 -4.109 11.370 1.00 0.00 C ATOM 15 OG SER A 2 -12.169 -5.522 11.290 1.00 0.00 O ATOM 0 H SER A 2 -14.229 -5.207 11.911 1.00 0.00 H new ATOM 0 HA SER A 2 -13.499 -2.499 11.568 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.337 -3.745 10.669 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.761 -3.816 12.368 1.00 0.00 H new ATOM 0 HG SER A 2 -11.293 -5.912 11.491 1.00 0.00 H new ATOM 21 N ARG A 3 -12.991 -2.124 9.085 1.00 0.00 N ATOM 22 CA ARG A 3 -13.045 -1.782 7.669 1.00 0.00 C ATOM 23 C ARG A 3 -11.838 -0.940 7.266 1.00 0.00 C ATOM 24 O ARG A 3 -10.986 -1.387 6.498 1.00 0.00 O ATOM 25 CB ARG A 3 -14.338 -1.028 7.354 1.00 0.00 C ATOM 26 CG ARG A 3 -15.038 -1.519 6.096 1.00 0.00 C ATOM 27 CD ARG A 3 -14.725 -0.632 4.902 1.00 0.00 C ATOM 28 NE ARG A 3 -14.999 -1.304 3.634 1.00 0.00 N ATOM 29 CZ ARG A 3 -14.182 -2.196 3.077 1.00 0.00 C ATOM 30 NH1 ARG A 3 -13.043 -2.526 3.672 1.00 0.00 N ATOM 31 NH2 ARG A 3 -14.507 -2.761 1.923 1.00 0.00 N ATOM 0 H ARG A 3 -12.480 -1.455 9.661 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.025 -2.709 7.096 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -15.019 -1.123 8.199 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.113 0.033 7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.728 -2.542 5.882 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -16.115 -1.540 6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.317 0.281 4.964 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.677 -0.335 4.936 1.00 0.00 H new ATOM 0 HE ARG A 3 -15.866 -1.077 3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.789 -2.096 4.561 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -12.422 -3.210 3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.382 -2.512 1.462 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.882 -3.444 1.496 1.00 0.00 H new ATOM 45 N VAL A 4 -11.772 0.280 7.789 1.00 0.00 N ATOM 46 CA VAL A 4 -10.670 1.183 7.484 1.00 0.00 C ATOM 47 C VAL A 4 -9.460 0.893 8.364 1.00 0.00 C ATOM 48 O VAL A 4 -8.318 0.970 7.911 1.00 0.00 O ATOM 49 CB VAL A 4 -11.082 2.656 7.665 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.994 3.584 7.148 1.00 0.00 C ATOM 51 CG2 VAL A 4 -12.405 2.930 6.967 1.00 0.00 C ATOM 0 H VAL A 4 -12.469 0.665 8.426 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.405 1.014 6.440 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.213 2.849 8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.304 4.620 7.285 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.071 3.406 7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.826 3.393 6.088 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.680 3.976 7.106 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -12.305 2.719 5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.180 2.292 7.392 1.00 0.00 H new ATOM 61 N LYS A 5 -9.716 0.557 9.625 1.00 0.00 N ATOM 62 CA LYS A 5 -8.645 0.253 10.568 1.00 0.00 C ATOM 63 C LYS A 5 -7.775 -0.887 10.046 1.00 0.00 C ATOM 64 O LYS A 5 -6.569 -0.926 10.290 1.00 0.00 O ATOM 65 CB LYS A 5 -9.230 -0.113 11.935 1.00 0.00 C ATOM 66 CG LYS A 5 -8.735 0.776 13.064 1.00 0.00 C ATOM 67 CD LYS A 5 -9.469 2.107 13.088 1.00 0.00 C ATOM 68 CE LYS A 5 -10.714 2.043 13.960 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.817 3.218 14.869 1.00 0.00 N ATOM 0 H LYS A 5 -10.655 0.488 10.017 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.022 1.141 10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.317 -0.051 11.884 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.980 -1.149 12.163 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.873 0.266 14.017 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.665 0.951 12.948 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.802 2.884 13.461 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.749 2.387 12.073 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.599 1.996 13.326 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.696 1.127 14.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.679 3.136 15.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.985 3.249 15.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.860 4.091 14.305 1.00 0.00 H new ATOM 83 N ALA A 6 -8.397 -1.810 9.322 1.00 0.00 N ATOM 84 CA ALA A 6 -7.688 -2.951 8.756 1.00 0.00 C ATOM 85 C ALA A 6 -6.885 -2.541 7.525 1.00 0.00 C ATOM 86 O ALA A 6 -5.896 -3.183 7.177 1.00 0.00 O ATOM 87 CB ALA A 6 -8.669 -4.058 8.402 1.00 0.00 C ATOM 0 H ALA A 6 -9.395 -1.790 9.113 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.991 -3.324 9.506 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.126 -4.904 7.980 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.197 -4.377 9.300 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.388 -3.687 7.671 1.00 0.00 H new ATOM 93 N LEU A 7 -7.324 -1.473 6.867 1.00 0.00 N ATOM 94 CA LEU A 7 -6.654 -0.976 5.669 1.00 0.00 C ATOM 95 C LEU A 7 -5.293 -0.368 6.005 1.00 0.00 C ATOM 96 O LEU A 7 -4.373 -0.395 5.188 1.00 0.00 O ATOM 97 CB LEU A 7 -7.533 0.069 4.977 1.00 0.00 C ATOM 98 CG LEU A 7 -7.660 -0.085 3.462 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.648 0.928 2.904 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.300 0.069 2.796 1.00 0.00 C ATOM 0 H LEU A 7 -8.144 -0.933 7.144 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.492 -1.820 4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.530 0.028 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.130 1.059 5.193 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.037 -1.085 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.726 0.804 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.626 0.771 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.301 1.937 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.408 -0.043 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.895 1.056 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.621 -0.695 3.174 1.00 0.00 H new ATOM 112 N GLU A 8 -5.177 0.190 7.205 1.00 0.00 N ATOM 113 CA GLU A 8 -3.931 0.816 7.641 1.00 0.00 C ATOM 114 C GLU A 8 -2.922 -0.223 8.125 1.00 0.00 C ATOM 115 O GLU A 8 -1.721 -0.087 7.892 1.00 0.00 O ATOM 116 CB GLU A 8 -4.211 1.828 8.753 1.00 0.00 C ATOM 117 CG GLU A 8 -5.150 2.947 8.333 1.00 0.00 C ATOM 118 CD GLU A 8 -5.693 3.725 9.515 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.714 3.295 10.090 1.00 0.00 O ATOM 120 OE2 GLU A 8 -5.094 4.764 9.867 1.00 0.00 O ATOM 0 H GLU A 8 -5.929 0.222 7.894 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.499 1.331 6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.640 1.306 9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.268 2.262 9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.622 3.628 7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.981 2.526 7.767 1.00 0.00 H new ATOM 127 N GLU A 9 -3.415 -1.254 8.803 1.00 0.00 N ATOM 128 CA GLU A 9 -2.551 -2.311 9.322 1.00 0.00 C ATOM 129 C GLU A 9 -2.029 -3.206 8.197 1.00 0.00 C ATOM 130 O GLU A 9 -1.036 -3.914 8.365 1.00 0.00 O ATOM 131 CB GLU A 9 -3.307 -3.151 10.357 1.00 0.00 C ATOM 132 CG GLU A 9 -4.322 -4.110 9.751 1.00 0.00 C ATOM 133 CD GLU A 9 -3.911 -5.562 9.893 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.104 -6.034 9.064 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.394 -6.227 10.833 1.00 0.00 O ATOM 0 H GLU A 9 -4.406 -1.381 9.006 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.693 -1.839 9.801 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.587 -3.722 10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.821 -2.482 11.048 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.289 -3.961 10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.452 -3.875 8.695 1.00 0.00 H new ATOM 142 N LYS A 10 -2.711 -3.176 7.056 1.00 0.00 N ATOM 143 CA LYS A 10 -2.325 -3.989 5.908 1.00 0.00 C ATOM 144 C LYS A 10 -1.083 -3.430 5.221 1.00 0.00 C ATOM 145 O LYS A 10 -0.136 -4.161 4.939 1.00 0.00 O ATOM 146 CB LYS A 10 -3.485 -4.069 4.911 1.00 0.00 C ATOM 147 CG LYS A 10 -4.053 -5.470 4.749 1.00 0.00 C ATOM 148 CD LYS A 10 -3.480 -6.164 3.525 1.00 0.00 C ATOM 149 CE LYS A 10 -4.212 -7.463 3.229 1.00 0.00 C ATOM 150 NZ LYS A 10 -4.413 -8.281 4.457 1.00 0.00 N ATOM 0 H LYS A 10 -3.536 -2.596 6.902 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.086 -4.990 6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.280 -3.399 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.144 -3.710 3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.832 -6.059 5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.138 -5.416 4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.550 -5.501 2.663 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.421 -6.369 3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.180 -7.240 2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.646 -8.040 2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.645 -9.259 4.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.542 -8.275 5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.193 -7.881 5.016 1.00 0.00 H new ATOM 164 N VAL A 11 -1.099 -2.129 4.948 1.00 0.00 N ATOM 165 CA VAL A 11 0.022 -1.470 4.287 1.00 0.00 C ATOM 166 C VAL A 11 1.253 -1.421 5.181 1.00 0.00 C ATOM 167 O VAL A 11 2.380 -1.413 4.695 1.00 0.00 O ATOM 168 CB VAL A 11 -0.339 -0.036 3.852 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.752 0.547 2.966 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.685 -0.017 3.140 1.00 0.00 C ATOM 0 H VAL A 11 -1.877 -1.510 5.175 1.00 0.00 H new ATOM 0 HA VAL A 11 0.248 -2.066 3.403 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.417 0.585 4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.478 1.560 2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.693 0.572 3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.868 -0.072 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.924 1.003 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.638 -0.653 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.458 -0.387 3.813 1.00 0.00 H new ATOM 180 N LYS A 12 1.028 -1.383 6.485 1.00 0.00 N ATOM 181 CA LYS A 12 2.120 -1.333 7.453 1.00 0.00 C ATOM 182 C LYS A 12 3.014 -2.560 7.317 1.00 0.00 C ATOM 183 O LYS A 12 4.234 -2.470 7.454 1.00 0.00 O ATOM 184 CB LYS A 12 1.567 -1.242 8.877 1.00 0.00 C ATOM 185 CG LYS A 12 2.647 -1.158 9.944 1.00 0.00 C ATOM 186 CD LYS A 12 3.115 0.273 10.151 1.00 0.00 C ATOM 187 CE LYS A 12 4.332 0.591 9.298 1.00 0.00 C ATOM 188 NZ LYS A 12 5.048 1.804 9.779 1.00 0.00 N ATOM 0 H LYS A 12 0.097 -1.386 6.901 1.00 0.00 H new ATOM 0 HA LYS A 12 2.716 -0.444 7.250 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.924 -0.365 8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.942 -2.114 9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.264 -1.556 10.883 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.494 -1.781 9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.306 0.961 9.903 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.356 0.430 11.203 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.013 -0.260 9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.021 0.740 8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.871 1.986 9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.406 2.622 9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.368 1.653 10.757 1.00 0.00 H new ATOM 202 N ALA A 13 2.401 -3.701 7.025 1.00 0.00 N ATOM 203 CA ALA A 13 3.145 -4.941 6.842 1.00 0.00 C ATOM 204 C ALA A 13 3.730 -4.988 5.437 1.00 0.00 C ATOM 205 O ALA A 13 4.724 -5.665 5.178 1.00 0.00 O ATOM 206 CB ALA A 13 2.245 -6.144 7.088 1.00 0.00 C ATOM 0 H ALA A 13 1.392 -3.793 6.910 1.00 0.00 H new ATOM 0 HA ALA A 13 3.960 -4.975 7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.817 -7.061 6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.861 -6.109 8.108 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.412 -6.125 6.386 1.00 0.00 H new ATOM 212 N LEU A 14 3.094 -4.244 4.543 1.00 0.00 N ATOM 213 CA LEU A 14 3.510 -4.152 3.154 1.00 0.00 C ATOM 214 C LEU A 14 4.870 -3.460 3.040 1.00 0.00 C ATOM 215 O LEU A 14 5.605 -3.665 2.074 1.00 0.00 O ATOM 216 CB LEU A 14 2.445 -3.378 2.373 1.00 0.00 C ATOM 217 CG LEU A 14 2.371 -3.674 0.875 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.152 -2.999 0.265 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.639 -3.224 0.171 1.00 0.00 C ATOM 0 H LEU A 14 2.270 -3.685 4.764 1.00 0.00 H new ATOM 0 HA LEU A 14 3.614 -5.154 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.471 -3.591 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.628 -2.312 2.505 1.00 0.00 H new ATOM 0 HG LEU A 14 2.276 -4.752 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.111 -3.218 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.249 -3.374 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.221 -1.921 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.562 -3.445 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.771 -2.151 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.495 -3.752 0.591 1.00 0.00 H new ATOM 231 N GLU A 15 5.191 -2.634 4.034 1.00 0.00 N ATOM 232 CA GLU A 15 6.450 -1.900 4.056 1.00 0.00 C ATOM 233 C GLU A 15 7.612 -2.800 4.470 1.00 0.00 C ATOM 234 O GLU A 15 8.670 -2.790 3.840 1.00 0.00 O ATOM 235 CB GLU A 15 6.333 -0.705 5.012 1.00 0.00 C ATOM 236 CG GLU A 15 7.655 -0.008 5.298 1.00 0.00 C ATOM 237 CD GLU A 15 7.509 1.136 6.281 1.00 0.00 C ATOM 238 OE1 GLU A 15 7.065 2.225 5.863 1.00 0.00 O ATOM 239 OE2 GLU A 15 7.839 0.942 7.470 1.00 0.00 O ATOM 0 H GLU A 15 4.590 -2.457 4.839 1.00 0.00 H new ATOM 0 HA GLU A 15 6.655 -1.539 3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.637 0.019 4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.903 -1.047 5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.366 -0.733 5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.071 0.371 4.365 1.00 0.00 H new ATOM 246 N GLU A 16 7.411 -3.575 5.531 1.00 0.00 N ATOM 247 CA GLU A 16 8.448 -4.477 6.025 1.00 0.00 C ATOM 248 C GLU A 16 9.030 -5.323 4.894 1.00 0.00 C ATOM 249 O GLU A 16 10.185 -5.745 4.952 1.00 0.00 O ATOM 250 CB GLU A 16 7.882 -5.388 7.117 1.00 0.00 C ATOM 251 CG GLU A 16 7.407 -4.636 8.351 1.00 0.00 C ATOM 252 CD GLU A 16 7.978 -5.203 9.636 1.00 0.00 C ATOM 253 OE1 GLU A 16 9.213 -5.146 9.814 1.00 0.00 O ATOM 254 OE2 GLU A 16 7.190 -5.703 10.467 1.00 0.00 O ATOM 0 H GLU A 16 6.542 -3.597 6.065 1.00 0.00 H new ATOM 0 HA GLU A 16 9.249 -3.868 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.049 -5.959 6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.647 -6.107 7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.690 -3.587 8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.318 -4.670 8.396 1.00 0.00 H new ATOM 261 N LYS A 17 8.222 -5.568 3.868 1.00 0.00 N ATOM 262 CA LYS A 17 8.655 -6.366 2.726 1.00 0.00 C ATOM 263 C LYS A 17 9.576 -5.567 1.805 1.00 0.00 C ATOM 264 O LYS A 17 10.639 -6.046 1.411 1.00 0.00 O ATOM 265 CB LYS A 17 7.442 -6.867 1.941 1.00 0.00 C ATOM 266 CG LYS A 17 7.754 -8.036 1.021 1.00 0.00 C ATOM 267 CD LYS A 17 6.527 -8.901 0.782 1.00 0.00 C ATOM 268 CE LYS A 17 6.651 -9.700 -0.504 1.00 0.00 C ATOM 269 NZ LYS A 17 7.069 -11.106 -0.247 1.00 0.00 N ATOM 0 H LYS A 17 7.263 -5.225 3.804 1.00 0.00 H new ATOM 0 HA LYS A 17 9.215 -7.219 3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.663 -7.165 2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.039 -6.046 1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.127 -7.661 0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.548 -8.642 1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.391 -9.581 1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.639 -8.270 0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.695 -9.696 -1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.376 -9.220 -1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.142 -11.617 -1.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.993 -11.112 0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.364 -11.573 0.359 1.00 0.00 H new ATOM 283 N VAL A 18 9.157 -4.353 1.458 1.00 0.00 N ATOM 284 CA VAL A 18 9.945 -3.498 0.572 1.00 0.00 C ATOM 285 C VAL A 18 11.211 -2.999 1.259 1.00 0.00 C ATOM 286 O VAL A 18 12.310 -3.122 0.718 1.00 0.00 O ATOM 287 CB VAL A 18 9.141 -2.281 0.081 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.774 -1.696 -1.172 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.688 -2.655 -0.174 1.00 0.00 C ATOM 0 H VAL A 18 8.280 -3.939 1.775 1.00 0.00 H new ATOM 0 HA VAL A 18 10.213 -4.117 -0.284 1.00 0.00 H new ATOM 0 HB VAL A 18 9.160 -1.522 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.193 -0.836 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.794 -1.381 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.789 -2.451 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.142 -1.777 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.641 -3.435 -0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.239 -3.021 0.749 1.00 0.00 H new ATOM 299 N LYS A 19 11.054 -2.429 2.450 1.00 0.00 N ATOM 300 CA LYS A 19 12.190 -1.904 3.203 1.00 0.00 C ATOM 301 C LYS A 19 13.303 -2.944 3.317 1.00 0.00 C ATOM 302 O LYS A 19 14.484 -2.600 3.373 1.00 0.00 O ATOM 303 CB LYS A 19 11.745 -1.461 4.597 1.00 0.00 C ATOM 304 CG LYS A 19 11.110 -0.080 4.619 1.00 0.00 C ATOM 305 CD LYS A 19 11.803 0.841 5.609 1.00 0.00 C ATOM 306 CE LYS A 19 10.809 1.744 6.322 1.00 0.00 C ATOM 307 NZ LYS A 19 11.424 2.436 7.488 1.00 0.00 N ATOM 0 H LYS A 19 10.153 -2.319 2.915 1.00 0.00 H new ATOM 0 HA LYS A 19 12.581 -1.042 2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.033 -2.186 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.607 -1.467 5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.155 0.357 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.056 -0.168 4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.346 0.245 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.539 1.451 5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.425 2.485 5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.958 1.152 6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.714 3.042 7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.768 1.729 8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.220 3.021 7.164 1.00 0.00 H new ATOM 321 N ALA A 20 12.918 -4.216 3.350 1.00 0.00 N ATOM 322 CA ALA A 20 13.882 -5.306 3.454 1.00 0.00 C ATOM 323 C ALA A 20 14.360 -5.763 2.077 1.00 0.00 C ATOM 324 O ALA A 20 15.317 -6.530 1.966 1.00 0.00 O ATOM 325 CB ALA A 20 13.274 -6.473 4.216 1.00 0.00 C ATOM 0 H ALA A 20 11.945 -4.517 3.306 1.00 0.00 H new ATOM 0 HA ALA A 20 14.749 -4.936 4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.003 -7.280 4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.994 -6.147 5.218 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.388 -6.829 3.690 1.00 0.00 H new ATOM 331 N LEU A 21 13.690 -5.288 1.031 1.00 0.00 N ATOM 332 CA LEU A 21 14.039 -5.642 -0.333 1.00 0.00 C ATOM 333 C LEU A 21 15.346 -4.971 -0.748 1.00 0.00 C ATOM 334 O LEU A 21 15.818 -4.049 -0.084 1.00 0.00 O ATOM 335 CB LEU A 21 12.907 -5.218 -1.268 1.00 0.00 C ATOM 336 CG LEU A 21 12.389 -6.304 -2.213 1.00 0.00 C ATOM 337 CD1 LEU A 21 11.007 -5.943 -2.735 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.355 -6.518 -3.368 1.00 0.00 C ATOM 0 H LEU A 21 12.896 -4.652 1.108 1.00 0.00 H new ATOM 0 HA LEU A 21 14.179 -6.721 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.074 -4.861 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 21 13.251 -4.374 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 21 12.314 -7.236 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.655 -6.727 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.316 -5.844 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.058 -4.998 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.967 -7.294 -4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.465 -5.589 -3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.326 -6.825 -2.978 1.00 0.00 H new ATOM 350 N GLY A 22 15.924 -5.441 -1.846 1.00 0.00 N ATOM 351 CA GLY A 22 17.171 -4.874 -2.328 1.00 0.00 C ATOM 352 C GLY A 22 17.355 -5.061 -3.822 1.00 0.00 C ATOM 353 O GLY A 22 17.857 -6.093 -4.268 1.00 0.00 O ATOM 0 H GLY A 22 15.553 -6.204 -2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.198 -3.810 -2.092 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.005 -5.338 -1.802 1.00 0.00 H new ATOM 357 N GLY A 23 16.950 -4.059 -4.598 1.00 0.00 N ATOM 358 CA GLY A 23 17.085 -4.138 -6.041 1.00 0.00 C ATOM 359 C GLY A 23 16.726 -2.836 -6.732 1.00 0.00 C ATOM 360 O GLY A 23 17.080 -1.756 -6.258 1.00 0.00 O ATOM 0 H GLY A 23 16.531 -3.195 -4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 23 18.111 -4.408 -6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 23 16.444 -4.935 -6.419 1.00 0.00 H new ATOM 364 N GLY A 24 16.022 -2.938 -7.856 1.00 0.00 N ATOM 365 CA GLY A 24 15.627 -1.753 -8.595 1.00 0.00 C ATOM 366 C GLY A 24 14.536 -2.039 -9.609 1.00 0.00 C ATOM 367 O GLY A 24 14.000 -3.146 -9.658 1.00 0.00 O ATOM 0 H GLY A 24 15.718 -3.820 -8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.279 -0.992 -7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.496 -1.342 -9.108 1.00 0.00 H new ATOM 371 N GLY A 25 14.206 -1.039 -10.421 1.00 0.00 N ATOM 372 CA GLY A 25 13.174 -1.209 -11.426 1.00 0.00 C ATOM 373 C GLY A 25 11.780 -1.215 -10.831 1.00 0.00 C ATOM 374 O GLY A 25 11.296 -0.187 -10.357 1.00 0.00 O ATOM 0 H GLY A 25 14.635 -0.114 -10.400 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.249 -0.406 -12.159 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.342 -2.144 -11.960 1.00 0.00 H new ATOM 378 N ARG A 26 11.132 -2.375 -10.855 1.00 0.00 N ATOM 379 CA ARG A 26 9.784 -2.511 -10.311 1.00 0.00 C ATOM 380 C ARG A 26 9.746 -2.108 -8.841 1.00 0.00 C ATOM 381 O ARG A 26 8.712 -1.680 -8.334 1.00 0.00 O ATOM 382 CB ARG A 26 9.282 -3.951 -10.476 1.00 0.00 C ATOM 383 CG ARG A 26 9.886 -4.934 -9.480 1.00 0.00 C ATOM 384 CD ARG A 26 11.366 -5.149 -9.745 1.00 0.00 C ATOM 385 NE ARG A 26 11.865 -6.371 -9.117 1.00 0.00 N ATOM 386 CZ ARG A 26 12.796 -7.159 -9.653 1.00 0.00 C ATOM 387 NH1 ARG A 26 13.351 -6.855 -10.820 1.00 0.00 N ATOM 388 NH2 ARG A 26 13.179 -8.257 -9.014 1.00 0.00 N ATOM 0 H ARG A 26 11.518 -3.235 -11.245 1.00 0.00 H new ATOM 0 HA ARG A 26 9.127 -1.842 -10.868 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.197 -3.962 -10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.506 -4.290 -11.487 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.747 -4.559 -8.466 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.361 -5.887 -9.543 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.538 -5.198 -10.820 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.929 -4.294 -9.371 1.00 0.00 H new ATOM 0 HE ARG A 26 11.476 -6.637 -8.212 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.066 -6.011 -11.316 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.063 -7.466 -11.221 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.761 -8.496 -8.115 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.892 -8.862 -9.422 1.00 0.00 H new ATOM 402 N ILE A 27 10.876 -2.264 -8.160 1.00 0.00 N ATOM 403 CA ILE A 27 10.972 -1.931 -6.746 1.00 0.00 C ATOM 404 C ILE A 27 10.848 -0.427 -6.510 1.00 0.00 C ATOM 405 O ILE A 27 10.387 0.007 -5.455 1.00 0.00 O ATOM 406 CB ILE A 27 12.301 -2.427 -6.141 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.507 -3.910 -6.459 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.323 -2.190 -4.635 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.765 -4.492 -5.852 1.00 0.00 C ATOM 0 H ILE A 27 11.741 -2.620 -8.567 1.00 0.00 H new ATOM 0 HA ILE A 27 10.141 -2.436 -6.253 1.00 0.00 H new ATOM 0 HB ILE A 27 13.120 -1.862 -6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.646 -4.473 -6.099 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.542 -4.039 -7.541 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.268 -2.546 -4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.218 -1.124 -4.433 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.499 -2.730 -4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.844 -5.546 -6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.634 -3.955 -6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.724 -4.395 -4.767 1.00 0.00 H new ATOM 421 N GLU A 28 11.279 0.361 -7.487 1.00 0.00 N ATOM 422 CA GLU A 28 11.231 1.817 -7.375 1.00 0.00 C ATOM 423 C GLU A 28 9.799 2.346 -7.424 1.00 0.00 C ATOM 424 O GLU A 28 9.433 3.230 -6.653 1.00 0.00 O ATOM 425 CB GLU A 28 12.061 2.459 -8.488 1.00 0.00 C ATOM 426 CG GLU A 28 13.509 2.710 -8.101 1.00 0.00 C ATOM 427 CD GLU A 28 14.270 1.427 -7.832 1.00 0.00 C ATOM 428 OE1 GLU A 28 13.892 0.699 -6.889 1.00 0.00 O ATOM 429 OE2 GLU A 28 15.244 1.149 -8.562 1.00 0.00 O ATOM 0 H GLU A 28 11.666 0.018 -8.366 1.00 0.00 H new ATOM 0 HA GLU A 28 11.651 2.084 -6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.035 1.814 -9.367 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.601 3.405 -8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.005 3.262 -8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.540 3.340 -7.212 1.00 0.00 H new ATOM 436 N GLU A 29 8.996 1.815 -8.340 1.00 0.00 N ATOM 437 CA GLU A 29 7.608 2.254 -8.486 1.00 0.00 C ATOM 438 C GLU A 29 6.754 1.806 -7.303 1.00 0.00 C ATOM 439 O GLU A 29 5.748 2.437 -6.980 1.00 0.00 O ATOM 440 CB GLU A 29 7.016 1.710 -9.790 1.00 0.00 C ATOM 441 CG GLU A 29 5.549 2.064 -9.991 1.00 0.00 C ATOM 442 CD GLU A 29 5.246 2.513 -11.406 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.135 3.122 -12.039 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.121 2.258 -11.882 1.00 0.00 O ATOM 0 H GLU A 29 9.279 1.083 -8.991 1.00 0.00 H new ATOM 0 HA GLU A 29 7.605 3.344 -8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.592 2.098 -10.630 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.124 0.625 -9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.934 1.197 -9.749 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.272 2.856 -9.295 1.00 0.00 H new ATOM 451 N LEU A 30 7.154 0.712 -6.666 1.00 0.00 N ATOM 452 CA LEU A 30 6.417 0.177 -5.527 1.00 0.00 C ATOM 453 C LEU A 30 6.758 0.923 -4.240 1.00 0.00 C ATOM 454 O LEU A 30 5.993 0.898 -3.279 1.00 0.00 O ATOM 455 CB LEU A 30 6.709 -1.314 -5.362 1.00 0.00 C ATOM 456 CG LEU A 30 6.302 -2.184 -6.551 1.00 0.00 C ATOM 457 CD1 LEU A 30 6.860 -3.591 -6.401 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.788 -2.221 -6.691 1.00 0.00 C ATOM 0 H LEU A 30 7.985 0.178 -6.919 1.00 0.00 H new ATOM 0 HA LEU A 30 5.354 0.316 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.777 -1.443 -5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.192 -1.675 -4.473 1.00 0.00 H new ATOM 0 HG LEU A 30 6.720 -1.745 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.559 -4.195 -7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.948 -3.548 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.473 -4.040 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.516 -2.845 -7.543 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.349 -2.635 -5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.412 -1.210 -6.848 1.00 0.00 H new ATOM 470 N LYS A 31 7.914 1.579 -4.223 1.00 0.00 N ATOM 471 CA LYS A 31 8.356 2.322 -3.047 1.00 0.00 C ATOM 472 C LYS A 31 7.616 3.651 -2.919 1.00 0.00 C ATOM 473 O LYS A 31 6.959 3.905 -1.915 1.00 0.00 O ATOM 474 CB LYS A 31 9.862 2.573 -3.125 1.00 0.00 C ATOM 475 CG LYS A 31 10.417 3.330 -1.930 1.00 0.00 C ATOM 476 CD LYS A 31 11.777 2.794 -1.514 1.00 0.00 C ATOM 477 CE LYS A 31 12.661 3.894 -0.950 1.00 0.00 C ATOM 478 NZ LYS A 31 12.366 4.164 0.484 1.00 0.00 N ATOM 0 H LYS A 31 8.562 1.611 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 31 8.131 1.722 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.377 1.616 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.081 3.134 -4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.502 4.389 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.722 3.252 -1.094 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.648 2.011 -0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.267 2.337 -2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.708 3.609 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.518 4.807 -1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.990 4.920 0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.374 4.460 0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.527 3.300 1.040 1.00 0.00 H new ATOM 492 N LYS A 32 7.738 4.495 -3.936 1.00 0.00 N ATOM 493 CA LYS A 32 7.089 5.805 -3.936 1.00 0.00 C ATOM 494 C LYS A 32 5.594 5.693 -3.643 1.00 0.00 C ATOM 495 O LYS A 32 5.058 6.424 -2.810 1.00 0.00 O ATOM 496 CB LYS A 32 7.302 6.493 -5.286 1.00 0.00 C ATOM 497 CG LYS A 32 6.820 7.934 -5.318 1.00 0.00 C ATOM 498 CD LYS A 32 7.889 8.870 -5.861 1.00 0.00 C ATOM 499 CE LYS A 32 9.148 8.831 -5.008 1.00 0.00 C ATOM 500 NZ LYS A 32 9.989 10.043 -5.203 1.00 0.00 N ATOM 0 H LYS A 32 8.282 4.297 -4.776 1.00 0.00 H new ATOM 0 HA LYS A 32 7.543 6.401 -3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.363 6.468 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.781 5.927 -6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.925 8.005 -5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.539 8.247 -4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.133 8.590 -6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.501 9.888 -5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.872 8.746 -3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.728 7.943 -5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.837 9.977 -4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.274 10.111 -6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.445 10.889 -4.940 1.00 0.00 H new ATOM 514 N LYS A 33 4.927 4.781 -4.339 1.00 0.00 N ATOM 515 CA LYS A 33 3.492 4.576 -4.167 1.00 0.00 C ATOM 516 C LYS A 33 3.165 3.984 -2.796 1.00 0.00 C ATOM 517 O LYS A 33 2.053 4.140 -2.294 1.00 0.00 O ATOM 518 CB LYS A 33 2.955 3.662 -5.271 1.00 0.00 C ATOM 519 CG LYS A 33 1.465 3.382 -5.163 1.00 0.00 C ATOM 520 CD LYS A 33 1.005 2.383 -6.214 1.00 0.00 C ATOM 521 CE LYS A 33 0.067 1.342 -5.624 1.00 0.00 C ATOM 522 NZ LYS A 33 -1.353 1.601 -5.989 1.00 0.00 N ATOM 0 H LYS A 33 5.358 4.168 -5.031 1.00 0.00 H new ATOM 0 HA LYS A 33 3.009 5.551 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.161 4.118 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.496 2.716 -5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.238 2.996 -4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.910 4.313 -5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.500 2.911 -7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.872 1.887 -6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.357 0.352 -5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.167 1.337 -4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.953 0.841 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.654 2.512 -5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.445 1.631 -7.024 1.00 0.00 H new ATOM 536 N CYS A 34 4.129 3.284 -2.207 1.00 0.00 N ATOM 537 CA CYS A 34 3.937 2.648 -0.905 1.00 0.00 C ATOM 538 C CYS A 34 3.652 3.662 0.200 1.00 0.00 C ATOM 539 O CYS A 34 2.632 3.580 0.884 1.00 0.00 O ATOM 540 CB CYS A 34 5.187 1.850 -0.538 1.00 0.00 C ATOM 541 SG CYS A 34 4.855 0.127 -0.051 1.00 0.00 S ATOM 0 H CYS A 34 5.055 3.142 -2.611 1.00 0.00 H new ATOM 0 HA CYS A 34 3.070 1.992 -0.988 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.868 1.851 -1.389 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.700 2.355 0.281 1.00 0.00 H new ATOM 546 N GLU A 35 4.572 4.599 0.386 1.00 0.00 N ATOM 547 CA GLU A 35 4.435 5.610 1.430 1.00 0.00 C ATOM 548 C GLU A 35 3.257 6.544 1.167 1.00 0.00 C ATOM 549 O GLU A 35 2.385 6.699 2.017 1.00 0.00 O ATOM 550 CB GLU A 35 5.726 6.420 1.566 1.00 0.00 C ATOM 551 CG GLU A 35 6.287 6.890 0.238 1.00 0.00 C ATOM 552 CD GLU A 35 6.664 8.359 0.248 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.780 9.202 -0.014 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.843 8.667 0.519 1.00 0.00 O ATOM 0 H GLU A 35 5.422 4.681 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 35 4.241 5.085 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.537 7.287 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.475 5.812 2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.166 6.295 -0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.550 6.714 -0.546 1.00 0.00 H new ATOM 561 N GLU A 36 3.235 7.167 -0.007 1.00 0.00 N ATOM 562 CA GLU A 36 2.163 8.089 -0.365 1.00 0.00 C ATOM 563 C GLU A 36 0.791 7.473 -0.103 1.00 0.00 C ATOM 564 O GLU A 36 -0.181 8.181 0.160 1.00 0.00 O ATOM 565 CB GLU A 36 2.281 8.495 -1.836 1.00 0.00 C ATOM 566 CG GLU A 36 1.574 9.799 -2.166 1.00 0.00 C ATOM 567 CD GLU A 36 1.251 9.930 -3.640 1.00 0.00 C ATOM 568 OE1 GLU A 36 2.190 10.133 -4.439 1.00 0.00 O ATOM 569 OE2 GLU A 36 0.058 9.831 -3.997 1.00 0.00 O ATOM 0 H GLU A 36 3.948 7.050 -0.727 1.00 0.00 H new ATOM 0 HA GLU A 36 2.263 8.976 0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.336 8.588 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.869 7.700 -2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.652 9.864 -1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.202 10.636 -1.860 1.00 0.00 H new ATOM 576 N LEU A 37 0.725 6.152 -0.185 1.00 0.00 N ATOM 577 CA LEU A 37 -0.520 5.427 0.033 1.00 0.00 C ATOM 578 C LEU A 37 -0.967 5.519 1.490 1.00 0.00 C ATOM 579 O LEU A 37 -2.159 5.636 1.776 1.00 0.00 O ATOM 580 CB LEU A 37 -0.346 3.962 -0.377 1.00 0.00 C ATOM 581 CG LEU A 37 -1.489 3.021 0.014 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.842 3.677 -0.227 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.385 1.712 -0.756 1.00 0.00 C ATOM 0 H LEU A 37 1.524 5.557 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.294 5.884 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.219 3.920 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.576 3.587 0.067 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.404 2.806 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.637 2.988 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.917 4.586 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.942 3.928 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.204 1.054 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.441 1.914 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.435 1.230 -0.527 1.00 0.00 H new ATOM 595 N LYS A 38 -0.007 5.459 2.407 1.00 0.00 N ATOM 596 CA LYS A 38 -0.307 5.528 3.835 1.00 0.00 C ATOM 597 C LYS A 38 -0.857 6.901 4.220 1.00 0.00 C ATOM 598 O LYS A 38 -1.965 7.009 4.746 1.00 0.00 O ATOM 599 CB LYS A 38 0.948 5.219 4.655 1.00 0.00 C ATOM 600 CG LYS A 38 0.943 3.831 5.273 1.00 0.00 C ATOM 601 CD LYS A 38 2.344 3.243 5.330 1.00 0.00 C ATOM 602 CE LYS A 38 2.367 1.931 6.099 1.00 0.00 C ATOM 603 NZ LYS A 38 1.602 2.021 7.374 1.00 0.00 N ATOM 0 H LYS A 38 0.985 5.363 2.188 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.071 4.782 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.824 5.320 4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.046 5.961 5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.527 3.881 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.295 3.175 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.712 3.079 4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.020 3.955 5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.947 1.139 5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.399 1.654 6.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.919 1.272 8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.765 2.950 7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.587 1.904 7.179 1.00 0.00 H new ATOM 617 N LYS A 39 -0.077 7.945 3.957 1.00 0.00 N ATOM 618 CA LYS A 39 -0.484 9.310 4.278 1.00 0.00 C ATOM 619 C LYS A 39 -1.871 9.619 3.718 1.00 0.00 C ATOM 620 O LYS A 39 -2.596 10.454 4.256 1.00 0.00 O ATOM 621 CB LYS A 39 0.542 10.316 3.742 1.00 0.00 C ATOM 622 CG LYS A 39 0.901 10.120 2.279 1.00 0.00 C ATOM 623 CD LYS A 39 2.282 10.681 1.973 1.00 0.00 C ATOM 624 CE LYS A 39 2.283 11.501 0.693 1.00 0.00 C ATOM 625 NZ LYS A 39 3.643 11.594 0.093 1.00 0.00 N ATOM 0 H LYS A 39 0.842 7.872 3.522 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.530 9.399 5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.150 11.324 3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.450 10.245 4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.874 9.058 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.158 10.611 1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.615 11.303 2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.996 9.862 1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.599 11.051 -0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.910 12.503 0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.572 11.980 -0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.237 12.220 0.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.071 10.647 0.055 1.00 0.00 H new ATOM 639 N LYS A 40 -2.232 8.939 2.635 1.00 0.00 N ATOM 640 CA LYS A 40 -3.531 9.140 2.005 1.00 0.00 C ATOM 641 C LYS A 40 -4.657 8.575 2.871 1.00 0.00 C ATOM 642 O LYS A 40 -5.800 9.022 2.784 1.00 0.00 O ATOM 643 CB LYS A 40 -3.558 8.486 0.623 1.00 0.00 C ATOM 644 CG LYS A 40 -4.737 8.922 -0.233 1.00 0.00 C ATOM 645 CD LYS A 40 -4.285 9.733 -1.438 1.00 0.00 C ATOM 646 CE LYS A 40 -5.391 10.644 -1.944 1.00 0.00 C ATOM 647 NZ LYS A 40 -6.270 9.955 -2.930 1.00 0.00 N ATOM 0 H LYS A 40 -1.643 8.244 2.176 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.688 10.213 1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.632 8.724 0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.587 7.403 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.287 8.043 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.424 9.516 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.414 10.331 -1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.974 9.058 -2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.991 10.989 -1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.951 11.528 -2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.011 10.610 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.703 9.648 -3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.710 9.126 -2.483 1.00 0.00 H new ATOM 661 N ILE A 41 -4.331 7.587 3.699 1.00 0.00 N ATOM 662 CA ILE A 41 -5.323 6.967 4.573 1.00 0.00 C ATOM 663 C ILE A 41 -5.651 7.870 5.758 1.00 0.00 C ATOM 664 O ILE A 41 -6.812 8.009 6.140 1.00 0.00 O ATOM 665 CB ILE A 41 -4.841 5.602 5.102 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.197 4.790 3.974 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.002 4.836 5.721 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.808 3.384 4.381 1.00 0.00 C ATOM 0 H ILE A 41 -3.391 7.199 3.784 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.219 6.816 3.971 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.090 5.771 5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.891 4.737 3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.309 5.315 3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.647 3.874 6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.418 5.411 6.548 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.773 4.674 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.359 2.870 3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.090 3.428 5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.695 2.841 4.706 1.00 0.00 H new ATOM 680 N GLU A 42 -4.623 8.482 6.337 1.00 0.00 N ATOM 681 CA GLU A 42 -4.814 9.371 7.477 1.00 0.00 C ATOM 682 C GLU A 42 -5.658 10.578 7.081 1.00 0.00 C ATOM 683 O GLU A 42 -6.399 11.123 7.898 1.00 0.00 O ATOM 684 CB GLU A 42 -3.464 9.830 8.031 1.00 0.00 C ATOM 685 CG GLU A 42 -2.542 10.423 6.980 1.00 0.00 C ATOM 686 CD GLU A 42 -1.310 11.070 7.583 1.00 0.00 C ATOM 687 OE1 GLU A 42 -1.364 11.455 8.771 1.00 0.00 O ATOM 688 OE2 GLU A 42 -0.292 11.188 6.871 1.00 0.00 O ATOM 0 H GLU A 42 -3.653 8.379 6.037 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.341 8.819 8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.635 10.571 8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.967 8.981 8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.234 9.639 6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.090 11.165 6.398 1.00 0.00 H new ATOM 695 N GLU A 43 -5.547 10.984 5.819 1.00 0.00 N ATOM 696 CA GLU A 43 -6.308 12.121 5.316 1.00 0.00 C ATOM 697 C GLU A 43 -7.765 11.730 5.087 1.00 0.00 C ATOM 698 O GLU A 43 -8.672 12.553 5.215 1.00 0.00 O ATOM 699 CB GLU A 43 -5.685 12.652 4.018 1.00 0.00 C ATOM 700 CG GLU A 43 -5.922 11.772 2.799 1.00 0.00 C ATOM 701 CD GLU A 43 -5.978 12.569 1.510 1.00 0.00 C ATOM 702 OE1 GLU A 43 -6.931 13.358 1.341 1.00 0.00 O ATOM 703 OE2 GLU A 43 -5.069 12.403 0.669 1.00 0.00 O ATOM 0 H GLU A 43 -4.939 10.543 5.129 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.277 12.914 6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.086 13.645 3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.611 12.766 4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.126 11.031 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.857 11.225 2.925 1.00 0.00 H new ATOM 710 N LEU A 44 -7.976 10.461 4.749 1.00 0.00 N ATOM 711 CA LEU A 44 -9.315 9.939 4.499 1.00 0.00 C ATOM 712 C LEU A 44 -10.217 10.158 5.711 1.00 0.00 C ATOM 713 O LEU A 44 -9.737 10.406 6.817 1.00 0.00 O ATOM 714 CB LEU A 44 -9.239 8.447 4.159 1.00 0.00 C ATOM 715 CG LEU A 44 -9.394 8.111 2.675 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.293 6.609 2.456 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.716 8.643 2.142 1.00 0.00 C ATOM 0 H LEU A 44 -7.232 9.772 4.642 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.744 10.477 3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.281 8.060 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.015 7.923 4.717 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.585 8.593 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.406 6.388 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.321 6.256 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.080 6.106 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.809 8.394 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.540 8.191 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.748 9.726 2.264 1.00 0.00 H new ATOM 729 N GLY A 45 -11.525 10.066 5.497 1.00 0.00 N ATOM 730 CA GLY A 45 -12.469 10.260 6.583 1.00 0.00 C ATOM 731 C GLY A 45 -13.643 9.302 6.515 1.00 0.00 C ATOM 732 O GLY A 45 -13.551 8.164 6.972 1.00 0.00 O ATOM 0 H GLY A 45 -11.949 9.861 4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.954 10.130 7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.839 11.285 6.558 1.00 0.00 H new ATOM 736 N GLY A 46 -14.749 9.767 5.942 1.00 0.00 N ATOM 737 CA GLY A 46 -15.929 8.932 5.825 1.00 0.00 C ATOM 738 C GLY A 46 -16.907 9.451 4.789 1.00 0.00 C ATOM 739 O GLY A 46 -18.069 9.713 5.099 1.00 0.00 O ATOM 0 H GLY A 46 -14.848 10.706 5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.628 7.918 5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.427 8.874 6.793 1.00 0.00 H new ATOM 743 N GLY A 47 -16.436 9.599 3.556 1.00 0.00 N ATOM 744 CA GLY A 47 -17.288 10.089 2.488 1.00 0.00 C ATOM 745 C GLY A 47 -17.543 9.042 1.421 1.00 0.00 C ATOM 746 O GLY A 47 -18.574 9.070 0.749 1.00 0.00 O ATOM 0 H GLY A 47 -15.478 9.388 3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.240 10.415 2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -16.825 10.964 2.031 1.00 0.00 H new ATOM 750 N GLY A 48 -16.601 8.117 1.264 1.00 0.00 N ATOM 751 CA GLY A 48 -16.748 7.071 0.268 1.00 0.00 C ATOM 752 C GLY A 48 -15.475 6.832 -0.522 1.00 0.00 C ATOM 753 O GLY A 48 -15.334 5.802 -1.182 1.00 0.00 O ATOM 0 H GLY A 48 -15.739 8.073 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.044 6.145 0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -17.552 7.338 -0.418 1.00 0.00 H new ATOM 757 N GLU A 49 -14.547 7.782 -0.458 1.00 0.00 N ATOM 758 CA GLU A 49 -13.283 7.667 -1.176 1.00 0.00 C ATOM 759 C GLU A 49 -12.476 6.462 -0.692 1.00 0.00 C ATOM 760 O GLU A 49 -11.550 6.015 -1.369 1.00 0.00 O ATOM 761 CB GLU A 49 -12.457 8.944 -1.008 1.00 0.00 C ATOM 762 CG GLU A 49 -11.368 9.106 -2.055 1.00 0.00 C ATOM 763 CD GLU A 49 -11.051 10.559 -2.348 1.00 0.00 C ATOM 764 OE1 GLU A 49 -11.968 11.399 -2.240 1.00 0.00 O ATOM 765 OE2 GLU A 49 -9.886 10.856 -2.684 1.00 0.00 O ATOM 0 H GLU A 49 -14.647 8.640 0.084 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.514 7.523 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.123 9.806 -1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.001 8.944 -0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.463 8.603 -1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.679 8.613 -2.976 1.00 0.00 H new ATOM 772 N VAL A 50 -12.828 5.941 0.482 1.00 0.00 N ATOM 773 CA VAL A 50 -12.132 4.791 1.048 1.00 0.00 C ATOM 774 C VAL A 50 -12.061 3.634 0.054 1.00 0.00 C ATOM 775 O VAL A 50 -11.169 2.790 0.134 1.00 0.00 O ATOM 776 CB VAL A 50 -12.816 4.300 2.337 1.00 0.00 C ATOM 777 CG1 VAL A 50 -11.982 3.219 3.009 1.00 0.00 C ATOM 778 CG2 VAL A 50 -13.061 5.462 3.287 1.00 0.00 C ATOM 0 H VAL A 50 -13.590 6.298 1.058 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.121 5.124 1.281 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.781 3.868 2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.483 2.886 3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.864 2.375 2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.001 3.621 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.545 5.096 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.110 5.927 3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -13.704 6.198 2.804 1.00 0.00 H new ATOM 788 N LYS A 51 -13.006 3.600 -0.881 1.00 0.00 N ATOM 789 CA LYS A 51 -13.044 2.546 -1.888 1.00 0.00 C ATOM 790 C LYS A 51 -11.897 2.700 -2.883 1.00 0.00 C ATOM 791 O LYS A 51 -11.423 1.718 -3.455 1.00 0.00 O ATOM 792 CB LYS A 51 -14.386 2.567 -2.626 1.00 0.00 C ATOM 793 CG LYS A 51 -15.367 1.518 -2.131 1.00 0.00 C ATOM 794 CD LYS A 51 -15.432 0.326 -3.072 1.00 0.00 C ATOM 795 CE LYS A 51 -16.550 -0.630 -2.686 1.00 0.00 C ATOM 796 NZ LYS A 51 -16.103 -1.630 -1.676 1.00 0.00 N ATOM 0 H LYS A 51 -13.754 4.289 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.931 1.588 -1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.836 3.554 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.209 2.413 -3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.071 1.182 -1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.358 1.962 -2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.587 0.675 -4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.479 -0.203 -3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.391 -0.063 -2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.908 -1.148 -3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.894 -2.262 -1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.317 -2.189 -2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.785 -1.138 -0.817 1.00 0.00 H new ATOM 810 N LYS A 52 -11.454 3.938 -3.085 1.00 0.00 N ATOM 811 CA LYS A 52 -10.362 4.218 -4.011 1.00 0.00 C ATOM 812 C LYS A 52 -9.025 3.767 -3.431 1.00 0.00 C ATOM 813 O LYS A 52 -8.315 2.968 -4.038 1.00 0.00 O ATOM 814 CB LYS A 52 -10.316 5.716 -4.335 1.00 0.00 C ATOM 815 CG LYS A 52 -9.077 6.138 -5.110 1.00 0.00 C ATOM 816 CD LYS A 52 -9.061 7.636 -5.366 1.00 0.00 C ATOM 817 CE LYS A 52 -8.727 7.951 -6.815 1.00 0.00 C ATOM 818 NZ LYS A 52 -9.810 7.516 -7.741 1.00 0.00 N ATOM 0 H LYS A 52 -11.834 4.762 -2.620 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.542 3.659 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.202 5.981 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.361 6.281 -3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.184 5.854 -4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.043 5.605 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.034 8.059 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.329 8.110 -4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.564 9.023 -6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.795 7.457 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.723 8.028 -8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.729 6.494 -7.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.736 7.722 -7.314 1.00 0.00 H new ATOM 832 N VAL A 53 -8.687 4.289 -2.256 1.00 0.00 N ATOM 833 CA VAL A 53 -7.431 3.944 -1.596 1.00 0.00 C ATOM 834 C VAL A 53 -7.295 2.436 -1.407 1.00 0.00 C ATOM 835 O VAL A 53 -6.184 1.912 -1.335 1.00 0.00 O ATOM 836 CB VAL A 53 -7.313 4.632 -0.222 1.00 0.00 C ATOM 837 CG1 VAL A 53 -5.922 4.428 0.359 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.639 6.113 -0.337 1.00 0.00 C ATOM 0 H VAL A 53 -9.265 4.953 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.630 4.296 -2.246 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.035 4.177 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.857 4.921 1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.731 3.362 0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.180 4.855 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.550 6.582 0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.943 6.586 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.657 6.234 -0.706 1.00 0.00 H new ATOM 848 N GLU A 54 -8.427 1.743 -1.330 1.00 0.00 N ATOM 849 CA GLU A 54 -8.421 0.294 -1.152 1.00 0.00 C ATOM 850 C GLU A 54 -7.816 -0.393 -2.370 1.00 0.00 C ATOM 851 O GLU A 54 -7.091 -1.380 -2.246 1.00 0.00 O ATOM 852 CB GLU A 54 -9.844 -0.218 -0.916 1.00 0.00 C ATOM 853 CG GLU A 54 -9.913 -1.400 0.038 1.00 0.00 C ATOM 854 CD GLU A 54 -11.268 -2.079 0.027 1.00 0.00 C ATOM 855 OE1 GLU A 54 -12.289 -1.365 -0.067 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.309 -3.325 0.113 1.00 0.00 O ATOM 0 H GLU A 54 -9.357 2.159 -1.388 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.811 0.059 -0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.453 0.595 -0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.281 -0.507 -1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.145 -2.125 -0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.689 -1.060 1.049 1.00 0.00 H new ATOM 863 N GLU A 55 -8.116 0.142 -3.548 1.00 0.00 N ATOM 864 CA GLU A 55 -7.605 -0.407 -4.798 1.00 0.00 C ATOM 865 C GLU A 55 -6.115 -0.111 -4.954 1.00 0.00 C ATOM 866 O GLU A 55 -5.392 -0.849 -5.621 1.00 0.00 O ATOM 867 CB GLU A 55 -8.380 0.171 -5.984 1.00 0.00 C ATOM 868 CG GLU A 55 -7.929 -0.372 -7.330 1.00 0.00 C ATOM 869 CD GLU A 55 -8.205 0.591 -8.469 1.00 0.00 C ATOM 870 OE1 GLU A 55 -9.383 0.954 -8.666 1.00 0.00 O ATOM 871 OE2 GLU A 55 -7.242 0.980 -9.162 1.00 0.00 O ATOM 0 H GLU A 55 -8.714 0.960 -3.663 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.740 -1.488 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.441 -0.043 -5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.271 1.256 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.861 -0.587 -7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.438 -1.316 -7.526 1.00 0.00 H new ATOM 878 N GLU A 56 -5.669 0.981 -4.342 1.00 0.00 N ATOM 879 CA GLU A 56 -4.271 1.391 -4.412 1.00 0.00 C ATOM 880 C GLU A 56 -3.374 0.462 -3.597 1.00 0.00 C ATOM 881 O GLU A 56 -2.197 0.289 -3.911 1.00 0.00 O ATOM 882 CB GLU A 56 -4.123 2.827 -3.907 1.00 0.00 C ATOM 883 CG GLU A 56 -4.515 3.879 -4.931 1.00 0.00 C ATOM 884 CD GLU A 56 -4.037 5.267 -4.552 1.00 0.00 C ATOM 885 OE1 GLU A 56 -3.844 5.518 -3.344 1.00 0.00 O ATOM 886 OE2 GLU A 56 -3.857 6.103 -5.463 1.00 0.00 O ATOM 0 H GLU A 56 -6.260 1.602 -3.789 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.957 1.334 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.737 2.954 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.088 2.992 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.100 3.608 -5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.600 3.889 -5.039 1.00 0.00 H new ATOM 893 N VAL A 57 -3.935 -0.128 -2.546 1.00 0.00 N ATOM 894 CA VAL A 57 -3.180 -1.030 -1.683 1.00 0.00 C ATOM 895 C VAL A 57 -3.134 -2.439 -2.261 1.00 0.00 C ATOM 896 O VAL A 57 -2.202 -3.195 -2.002 1.00 0.00 O ATOM 897 CB VAL A 57 -3.786 -1.095 -0.269 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.858 -1.842 0.676 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.081 0.304 0.253 1.00 0.00 C ATOM 0 H VAL A 57 -4.909 0.002 -2.272 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.168 -0.629 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.728 -1.641 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.303 -1.878 1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.706 -2.857 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.899 -1.327 0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.509 0.236 1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.157 0.880 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.789 0.799 -0.412 1.00 0.00 H new ATOM 909 N LYS A 58 -4.155 -2.784 -3.034 1.00 0.00 N ATOM 910 CA LYS A 58 -4.248 -4.104 -3.646 1.00 0.00 C ATOM 911 C LYS A 58 -3.299 -4.242 -4.836 1.00 0.00 C ATOM 912 O LYS A 58 -2.860 -5.344 -5.163 1.00 0.00 O ATOM 913 CB LYS A 58 -5.685 -4.368 -4.094 1.00 0.00 C ATOM 914 CG LYS A 58 -6.441 -5.320 -3.182 1.00 0.00 C ATOM 915 CD LYS A 58 -7.943 -5.227 -3.400 1.00 0.00 C ATOM 916 CE LYS A 58 -8.606 -4.351 -2.349 1.00 0.00 C ATOM 917 NZ LYS A 58 -8.872 -5.098 -1.089 1.00 0.00 N ATOM 0 H LYS A 58 -4.935 -2.164 -3.253 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.955 -4.841 -2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.222 -3.421 -4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.672 -4.778 -5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.108 -6.342 -3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.208 -5.091 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.143 -4.822 -4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.378 -6.226 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.967 -3.495 -2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.544 -3.958 -2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.649 -4.640 -0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.137 -6.078 -1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.016 -5.098 -0.498 1.00 0.00 H new ATOM 931 N LYS A 59 -3.006 -3.126 -5.496 1.00 0.00 N ATOM 932 CA LYS A 59 -2.131 -3.134 -6.666 1.00 0.00 C ATOM 933 C LYS A 59 -0.660 -3.274 -6.281 1.00 0.00 C ATOM 934 O LYS A 59 0.096 -3.971 -6.955 1.00 0.00 O ATOM 935 CB LYS A 59 -2.328 -1.853 -7.483 1.00 0.00 C ATOM 936 CG LYS A 59 -1.440 -1.771 -8.717 1.00 0.00 C ATOM 937 CD LYS A 59 -0.598 -0.504 -8.723 1.00 0.00 C ATOM 938 CE LYS A 59 -1.222 0.577 -9.592 1.00 0.00 C ATOM 939 NZ LYS A 59 -0.203 1.288 -10.413 1.00 0.00 N ATOM 0 H LYS A 59 -3.361 -2.204 -5.242 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.404 -4.001 -7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.371 -1.787 -7.792 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.129 -0.992 -6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.786 -2.642 -8.753 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.059 -1.800 -9.613 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.488 -0.134 -7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.403 -0.733 -9.088 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.968 0.129 -10.248 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.744 1.295 -8.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.669 2.016 -10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.495 1.737 -9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.277 0.608 -11.036 1.00 0.00 H new ATOM 953 N LEU A 60 -0.250 -2.597 -5.214 1.00 0.00 N ATOM 954 CA LEU A 60 1.141 -2.648 -4.775 1.00 0.00 C ATOM 955 C LEU A 60 1.457 -3.934 -4.022 1.00 0.00 C ATOM 956 O LEU A 60 2.602 -4.373 -3.991 1.00 0.00 O ATOM 957 CB LEU A 60 1.477 -1.446 -3.899 1.00 0.00 C ATOM 958 CG LEU A 60 2.942 -1.012 -3.965 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.051 0.452 -4.345 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.645 -1.278 -2.642 1.00 0.00 C ATOM 0 H LEU A 60 -0.856 -2.010 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 60 1.756 -2.623 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.848 -0.607 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.226 -1.683 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 60 3.436 -1.603 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.101 0.740 -4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.593 0.610 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.537 1.060 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.686 -0.961 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.149 -0.720 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.605 -2.344 -2.416 1.00 0.00 H new ATOM 972 N GLU A 61 0.446 -4.530 -3.411 1.00 0.00 N ATOM 973 CA GLU A 61 0.635 -5.763 -2.659 1.00 0.00 C ATOM 974 C GLU A 61 0.906 -6.932 -3.602 1.00 0.00 C ATOM 975 O GLU A 61 1.856 -7.691 -3.412 1.00 0.00 O ATOM 976 CB GLU A 61 -0.598 -6.052 -1.804 1.00 0.00 C ATOM 977 CG GLU A 61 -0.266 -6.520 -0.398 1.00 0.00 C ATOM 978 CD GLU A 61 -1.329 -7.435 0.179 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.519 -7.056 0.148 1.00 0.00 O ATOM 980 OE2 GLU A 61 -0.972 -8.530 0.663 1.00 0.00 O ATOM 0 H GLU A 61 -0.513 -4.182 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 61 1.498 -5.640 -2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.207 -5.150 -1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.202 -6.813 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.691 -7.043 -0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.147 -5.652 0.251 1.00 0.00 H new ATOM 987 N GLU A 62 0.062 -7.065 -4.619 1.00 0.00 N ATOM 988 CA GLU A 62 0.198 -8.135 -5.599 1.00 0.00 C ATOM 989 C GLU A 62 1.441 -7.937 -6.466 1.00 0.00 C ATOM 990 O GLU A 62 2.004 -8.898 -6.989 1.00 0.00 O ATOM 991 CB GLU A 62 -1.049 -8.193 -6.484 1.00 0.00 C ATOM 992 CG GLU A 62 -1.493 -9.605 -6.815 1.00 0.00 C ATOM 993 CD GLU A 62 -2.611 -9.640 -7.837 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.626 -8.943 -7.630 1.00 0.00 O ATOM 995 OE2 GLU A 62 -2.473 -10.367 -8.844 1.00 0.00 O ATOM 0 H GLU A 62 -0.728 -6.441 -4.786 1.00 0.00 H new ATOM 0 HA GLU A 62 0.306 -9.076 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.865 -7.673 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.851 -7.656 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.642 -10.170 -7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.824 -10.101 -5.903 1.00 0.00 H new ATOM 1002 N GLU A 63 1.858 -6.684 -6.620 1.00 0.00 N ATOM 1003 CA GLU A 63 3.027 -6.357 -7.429 1.00 0.00 C ATOM 1004 C GLU A 63 4.289 -6.995 -6.854 1.00 0.00 C ATOM 1005 O GLU A 63 4.958 -7.783 -7.522 1.00 0.00 O ATOM 1006 CB GLU A 63 3.198 -4.837 -7.511 1.00 0.00 C ATOM 1007 CG GLU A 63 3.152 -4.294 -8.930 1.00 0.00 C ATOM 1008 CD GLU A 63 4.439 -4.545 -9.691 1.00 0.00 C ATOM 1009 OE1 GLU A 63 5.412 -3.792 -9.475 1.00 0.00 O ATOM 1010 OE2 GLU A 63 4.473 -5.493 -10.503 1.00 0.00 O ATOM 0 H GLU A 63 1.402 -5.877 -6.194 1.00 0.00 H new ATOM 0 HA GLU A 63 2.871 -6.757 -8.431 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.414 -4.360 -6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.150 -4.562 -7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.322 -4.755 -9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.955 -3.222 -8.899 1.00 0.00 H new ATOM 1017 N ILE A 64 4.604 -6.648 -5.611 1.00 0.00 N ATOM 1018 CA ILE A 64 5.781 -7.180 -4.934 1.00 0.00 C ATOM 1019 C ILE A 64 5.822 -8.705 -5.011 1.00 0.00 C ATOM 1020 O ILE A 64 6.891 -9.311 -4.945 1.00 0.00 O ATOM 1021 CB ILE A 64 5.815 -6.750 -3.452 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.650 -5.231 -3.327 1.00 0.00 C ATOM 1023 CG2 ILE A 64 7.115 -7.198 -2.800 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.673 -4.737 -1.894 1.00 0.00 C ATOM 0 H ILE A 64 4.057 -5.996 -5.049 1.00 0.00 H new ATOM 0 HA ILE A 64 6.652 -6.772 -5.446 1.00 0.00 H new ATOM 0 HB ILE A 64 4.984 -7.229 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.447 -4.740 -3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.708 -4.936 -3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.124 -6.887 -1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.195 -8.284 -2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.958 -6.744 -3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.551 -3.654 -1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.859 -5.201 -1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.625 -5.001 -1.433 1.00 0.00 H new ATOM 1036 N LYS A 65 4.651 -9.321 -5.152 1.00 0.00 N ATOM 1037 CA LYS A 65 4.560 -10.773 -5.240 1.00 0.00 C ATOM 1038 C LYS A 65 5.311 -11.291 -6.462 1.00 0.00 C ATOM 1039 O LYS A 65 5.892 -12.375 -6.434 1.00 0.00 O ATOM 1040 CB LYS A 65 3.093 -11.210 -5.301 1.00 0.00 C ATOM 1041 CG LYS A 65 2.718 -12.229 -4.238 1.00 0.00 C ATOM 1042 CD LYS A 65 2.427 -11.561 -2.903 1.00 0.00 C ATOM 1043 CE LYS A 65 3.100 -12.294 -1.753 1.00 0.00 C ATOM 1044 NZ LYS A 65 2.923 -13.769 -1.854 1.00 0.00 N ATOM 0 H LYS A 65 3.755 -8.837 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 65 5.020 -11.197 -4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.456 -10.332 -5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.889 -11.632 -6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.842 -12.790 -4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.530 -12.946 -4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.773 -10.528 -2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.350 -11.532 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.164 -12.056 -1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.687 -11.943 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.846 -14.176 -0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.057 -13.979 -2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.742 -14.184 -2.342 1.00 0.00 H new ATOM 1058 N LYS A 66 5.295 -10.505 -7.534 1.00 0.00 N ATOM 1059 CA LYS A 66 5.975 -10.881 -8.768 1.00 0.00 C ATOM 1060 C LYS A 66 7.488 -10.884 -8.574 1.00 0.00 C ATOM 1061 O LYS A 66 8.180 -11.799 -9.022 1.00 0.00 O ATOM 1062 CB LYS A 66 5.592 -9.921 -9.898 1.00 0.00 C ATOM 1063 CG LYS A 66 4.592 -10.507 -10.881 1.00 0.00 C ATOM 1064 CD LYS A 66 5.289 -11.265 -12.000 1.00 0.00 C ATOM 1065 CE LYS A 66 5.439 -10.406 -13.245 1.00 0.00 C ATOM 1066 NZ LYS A 66 4.215 -10.439 -14.092 1.00 0.00 N ATOM 0 H LYS A 66 4.819 -9.604 -7.573 1.00 0.00 H new ATOM 0 HA LYS A 66 5.660 -11.889 -9.037 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.174 -9.012 -9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.493 -9.631 -10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.913 -11.177 -10.354 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.985 -9.707 -11.305 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.272 -11.592 -11.662 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.720 -12.163 -12.242 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.651 -9.377 -12.953 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.292 -10.755 -13.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.357 -9.841 -14.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.026 -11.417 -14.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.405 -10.082 -13.546 1.00 0.00 H new ATOM 1080 N LEU A 67 7.996 -9.855 -7.904 1.00 0.00 N ATOM 1081 CA LEU A 67 9.424 -9.739 -7.649 1.00 0.00 C ATOM 1082 C LEU A 67 9.821 -10.516 -6.399 1.00 0.00 C ATOM 1083 O LEU A 67 9.592 -10.000 -5.284 1.00 0.00 O ATOM 1084 CB LEU A 67 9.819 -8.268 -7.499 1.00 0.00 C ATOM 1085 CG LEU A 67 8.816 -7.393 -6.745 1.00 0.00 C ATOM 1086 CD1 LEU A 67 9.538 -6.414 -5.830 1.00 0.00 C ATOM 1087 CD2 LEU A 67 7.915 -6.649 -7.720 1.00 0.00 C ATOM 1088 OXT LEU A 67 10.356 -11.635 -6.543 1.00 0.00 O ATOM 0 H LEU A 67 7.437 -9.089 -7.528 1.00 0.00 H new ATOM 0 HA LEU A 67 9.955 -10.165 -8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.778 -8.218 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.968 -7.846 -8.493 1.00 0.00 H new ATOM 0 HG LEU A 67 8.193 -8.041 -6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.807 -5.801 -5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.137 -6.967 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.188 -5.772 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.209 -6.032 -7.164 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.523 -6.014 -8.365 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.368 -7.367 -8.330 1.00 0.00 H new TER 1100 LEU A 67 HETATM 1101 C6 HTS A 101 7.758 2.701 3.248 1.00 0.00 C HETATM 1102 C1 HTS A 101 6.570 2.060 2.963 1.00 0.00 C HETATM 1103 C2 HTS A 101 6.564 0.862 2.260 1.00 0.00 C HETATM 1104 C3 HTS A 101 7.767 0.312 1.843 1.00 0.00 C HETATM 1105 C4 HTS A 101 8.959 0.950 2.125 1.00 0.00 C HETATM 1106 C5 HTS A 101 8.955 2.144 2.828 1.00 0.00 C HETATM 1107 O1 HTS A 101 5.369 2.599 3.372 1.00 0.00 O HETATM 1108 S1 HTS A 101 4.988 0.178 1.973 1.00 0.00 S HETATM 0 HO1 HTS A 101 4.631 2.090 2.977 1.00 0.00 H new HETATM 0 H6 HTS A 101 7.755 3.641 3.801 1.00 0.00 H new HETATM 0 H5 HTS A 101 9.896 2.646 3.051 1.00 0.00 H new HETATM 0 H4 HTS A 101 9.902 0.515 1.795 1.00 0.00 H new HETATM 0 H3 HTS A 101 7.772 -0.628 1.290 1.00 0.00 H new