USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 THR OG1 : rot 153:sc= -0.602 USER MOD Set 1.2: A 32 SER OG : rot 180:sc= -0.174 USER MOD Single : A 6 THR OG1 : rot -28:sc= 0.0236 USER MOD Single : A 10 SER OG : rot 95:sc= 0.163 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.631 X(o=-0.63,f=-0.55) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -30:sc= -1.4 USER MOD Single : A 36 MET CE :methyl 141:sc= -7.83! (180deg=-13.2!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0863 X(o=-0.086,f=0) USER MOD Single : A 48 GLN : amide:sc= -6.88! C(o=-6.9!,f=-11!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 6:sc= -5.1! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0424 USER MOD ----------------------------------------------------------------- ATOM 75 N THR A 6 4.449 -0.906 -8.269 1.00 0.00 N ATOM 76 CA THR A 6 5.096 -1.023 -6.966 1.00 0.00 C ATOM 77 C THR A 6 4.976 0.277 -6.173 1.00 0.00 C ATOM 78 O THR A 6 5.937 0.721 -5.544 1.00 0.00 O ATOM 79 CB THR A 6 6.569 -1.393 -7.141 1.00 0.00 C ATOM 80 OG1 THR A 6 7.274 -0.353 -7.795 1.00 0.00 O ATOM 81 CG2 THR A 6 6.775 -2.660 -7.941 1.00 0.00 C ATOM 0 HA THR A 6 4.591 -1.811 -6.408 1.00 0.00 H new ATOM 0 HB THR A 6 6.949 -1.553 -6.132 1.00 0.00 H new ATOM 0 HG1 THR A 6 6.658 0.150 -8.368 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.842 -2.866 -8.028 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.285 -3.493 -7.436 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.347 -2.536 -8.936 1.00 0.00 H new ATOM 89 N VAL A 7 3.793 0.882 -6.205 1.00 0.00 N ATOM 90 CA VAL A 7 3.554 2.128 -5.487 1.00 0.00 C ATOM 91 C VAL A 7 2.106 2.221 -5.021 1.00 0.00 C ATOM 92 O VAL A 7 1.178 2.158 -5.827 1.00 0.00 O ATOM 93 CB VAL A 7 3.876 3.355 -6.360 1.00 0.00 C ATOM 94 CG1 VAL A 7 3.884 4.622 -5.519 1.00 0.00 C ATOM 95 CG2 VAL A 7 5.208 3.172 -7.074 1.00 0.00 C ATOM 0 H VAL A 7 2.986 0.530 -6.720 1.00 0.00 H new ATOM 0 HA VAL A 7 4.217 2.124 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 7 3.097 3.452 -7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.113 5.478 -6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.904 4.761 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.640 4.536 -4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.417 4.050 -7.685 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.001 3.046 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.161 2.289 -7.711 1.00 0.00 H new ATOM 105 N LEU A 8 1.921 2.372 -3.715 1.00 0.00 N ATOM 106 CA LEU A 8 0.584 2.475 -3.142 1.00 0.00 C ATOM 107 C LEU A 8 0.116 3.926 -3.114 1.00 0.00 C ATOM 108 O LEU A 8 0.895 4.834 -2.825 1.00 0.00 O ATOM 109 CB LEU A 8 0.565 1.890 -1.727 1.00 0.00 C ATOM 110 CG LEU A 8 -0.663 1.040 -1.393 1.00 0.00 C ATOM 111 CD1 LEU A 8 -1.943 1.793 -1.724 1.00 0.00 C ATOM 112 CD2 LEU A 8 -0.613 -0.283 -2.143 1.00 0.00 C ATOM 0 H LEU A 8 2.678 2.426 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.100 1.904 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.458 1.280 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.626 2.709 -1.011 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.656 0.832 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.804 1.172 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.984 2.714 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.959 2.033 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.493 -0.876 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.595 -0.092 -3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.285 -0.830 -1.856 1.00 0.00 H new ATOM 124 N ARG A 9 -1.161 4.137 -3.415 1.00 0.00 N ATOM 125 CA ARG A 9 -1.733 5.478 -3.424 1.00 0.00 C ATOM 126 C ARG A 9 -3.215 5.440 -3.069 1.00 0.00 C ATOM 127 O ARG A 9 -3.959 4.587 -3.554 1.00 0.00 O ATOM 128 CB ARG A 9 -1.540 6.129 -4.795 1.00 0.00 C ATOM 129 CG ARG A 9 -0.090 6.174 -5.247 1.00 0.00 C ATOM 130 CD ARG A 9 0.130 7.241 -6.307 1.00 0.00 C ATOM 131 NE ARG A 9 1.280 6.940 -7.156 1.00 0.00 N ATOM 132 CZ ARG A 9 1.860 7.827 -7.962 1.00 0.00 C ATOM 133 NH1 ARG A 9 1.401 9.070 -8.031 1.00 0.00 N ATOM 134 NH2 ARG A 9 2.902 7.470 -8.700 1.00 0.00 N ATOM 0 H ARG A 9 -1.819 3.396 -3.656 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.214 6.072 -2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.126 5.582 -5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.934 7.145 -4.765 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.553 6.373 -4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.199 5.201 -5.643 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.764 7.328 -6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.279 8.207 -5.824 1.00 0.00 H new ATOM 0 HE ARG A 9 1.661 5.994 -7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.600 9.350 -7.465 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.849 9.745 -8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.259 6.516 -8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.346 8.149 -9.317 1.00 0.00 H new ATOM 148 N SER A 10 -3.638 6.369 -2.217 1.00 0.00 N ATOM 149 CA SER A 10 -5.031 6.441 -1.794 1.00 0.00 C ATOM 150 C SER A 10 -5.933 6.863 -2.952 1.00 0.00 C ATOM 151 O SER A 10 -5.539 7.671 -3.793 1.00 0.00 O ATOM 152 CB SER A 10 -5.181 7.423 -0.630 1.00 0.00 C ATOM 153 OG SER A 10 -4.078 8.311 -0.565 1.00 0.00 O ATOM 0 H SER A 10 -3.035 7.082 -1.806 1.00 0.00 H new ATOM 0 HA SER A 10 -5.336 5.448 -1.465 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.103 7.992 -0.747 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.263 6.872 0.307 1.00 0.00 H new ATOM 0 HG SER A 10 -4.297 9.140 -1.039 1.00 0.00 H new ATOM 159 N PRO A 11 -7.163 6.321 -3.010 1.00 0.00 N ATOM 160 CA PRO A 11 -8.120 6.647 -4.070 1.00 0.00 C ATOM 161 C PRO A 11 -8.717 8.041 -3.902 1.00 0.00 C ATOM 162 O PRO A 11 -9.140 8.668 -4.873 1.00 0.00 O ATOM 163 CB PRO A 11 -9.202 5.579 -3.907 1.00 0.00 C ATOM 164 CG PRO A 11 -9.156 5.216 -2.464 1.00 0.00 C ATOM 165 CD PRO A 11 -7.716 5.349 -2.046 1.00 0.00 C ATOM 0 HA PRO A 11 -7.653 6.655 -5.055 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.183 5.962 -4.188 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.004 4.714 -4.540 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.795 5.875 -1.876 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.515 4.199 -2.306 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.628 5.707 -1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.194 4.393 -2.096 1.00 0.00 H new ATOM 173 N SER A 12 -8.748 8.520 -2.662 1.00 0.00 N ATOM 174 CA SER A 12 -9.293 9.840 -2.366 1.00 0.00 C ATOM 175 C SER A 12 -8.648 10.425 -1.113 1.00 0.00 C ATOM 176 O SER A 12 -7.790 9.796 -0.494 1.00 0.00 O ATOM 177 CB SER A 12 -10.809 9.759 -2.182 1.00 0.00 C ATOM 178 OG SER A 12 -11.144 9.063 -0.995 1.00 0.00 O ATOM 0 H SER A 12 -8.402 8.014 -1.847 1.00 0.00 H new ATOM 0 HA SER A 12 -9.071 10.495 -3.208 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.228 10.765 -2.148 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.256 9.257 -3.040 1.00 0.00 H new ATOM 0 HG SER A 12 -12.119 9.027 -0.901 1.00 0.00 H new ATOM 184 N ALA A 13 -9.066 11.632 -0.747 1.00 0.00 N ATOM 185 CA ALA A 13 -8.527 12.302 0.431 1.00 0.00 C ATOM 186 C ALA A 13 -9.101 11.708 1.712 1.00 0.00 C ATOM 187 O ALA A 13 -10.301 11.808 1.972 1.00 0.00 O ATOM 188 CB ALA A 13 -8.812 13.795 0.364 1.00 0.00 C ATOM 0 H ALA A 13 -9.776 12.166 -1.249 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.448 12.149 0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.404 14.283 1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.347 14.214 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.889 13.958 0.323 1.00 0.00 H new ATOM 194 N GLY A 14 -8.236 11.092 2.511 1.00 0.00 N ATOM 195 CA GLY A 14 -8.675 10.493 3.758 1.00 0.00 C ATOM 196 C GLY A 14 -7.616 10.574 4.838 1.00 0.00 C ATOM 197 O GLY A 14 -6.441 10.331 4.582 1.00 0.00 O ATOM 0 H GLY A 14 -7.239 10.997 2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.580 10.995 4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.936 9.449 3.585 1.00 0.00 H new ATOM 201 N LYS A 15 -8.027 10.916 6.051 1.00 0.00 N ATOM 202 CA LYS A 15 -7.089 11.023 7.160 1.00 0.00 C ATOM 203 C LYS A 15 -6.683 9.643 7.664 1.00 0.00 C ATOM 204 O LYS A 15 -7.511 8.738 7.761 1.00 0.00 O ATOM 205 CB LYS A 15 -7.694 11.844 8.298 1.00 0.00 C ATOM 206 CG LYS A 15 -6.696 12.190 9.390 1.00 0.00 C ATOM 207 CD LYS A 15 -6.835 11.263 10.587 1.00 0.00 C ATOM 208 CE LYS A 15 -7.903 11.756 11.550 1.00 0.00 C ATOM 209 NZ LYS A 15 -7.396 12.844 12.432 1.00 0.00 N ATOM 0 H LYS A 15 -8.996 11.123 6.292 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.196 11.533 6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.109 12.766 7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.523 11.288 8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.683 12.123 8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.847 13.222 9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.087 10.259 10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.879 11.192 11.107 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.762 12.117 10.985 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.251 10.924 12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.154 13.152 13.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.592 12.492 12.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.087 13.648 11.849 1.00 0.00 H new ATOM 223 N LEU A 16 -5.401 9.490 7.982 1.00 0.00 N ATOM 224 CA LEU A 16 -4.884 8.220 8.474 1.00 0.00 C ATOM 225 C LEU A 16 -5.471 7.894 9.844 1.00 0.00 C ATOM 226 O LEU A 16 -4.970 8.353 10.870 1.00 0.00 O ATOM 227 CB LEU A 16 -3.357 8.266 8.561 1.00 0.00 C ATOM 228 CG LEU A 16 -2.678 6.917 8.806 1.00 0.00 C ATOM 229 CD1 LEU A 16 -3.167 5.881 7.805 1.00 0.00 C ATOM 230 CD2 LEU A 16 -1.166 7.061 8.729 1.00 0.00 C ATOM 0 H LEU A 16 -4.703 10.230 7.907 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.177 7.438 7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.969 8.687 7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.075 8.948 9.363 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.942 6.577 9.807 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.672 4.929 7.996 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.245 5.757 7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.934 6.214 6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.699 6.092 8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.885 7.425 7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.829 7.770 9.486 1.00 0.00 H new ATOM 242 N THR A 17 -6.541 7.106 9.850 1.00 0.00 N ATOM 243 CA THR A 17 -7.203 6.726 11.093 1.00 0.00 C ATOM 244 C THR A 17 -6.402 5.669 11.849 1.00 0.00 C ATOM 245 O THR A 17 -6.256 5.747 13.068 1.00 0.00 O ATOM 246 CB THR A 17 -8.613 6.206 10.805 1.00 0.00 C ATOM 247 OG1 THR A 17 -9.317 5.971 12.011 1.00 0.00 O ATOM 248 CG2 THR A 17 -8.627 4.920 10.008 1.00 0.00 C ATOM 0 H THR A 17 -6.968 6.718 9.009 1.00 0.00 H new ATOM 0 HA THR A 17 -7.269 7.615 11.721 1.00 0.00 H new ATOM 0 HB THR A 17 -9.092 6.986 10.213 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.216 5.641 11.806 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.658 4.608 9.839 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.135 5.081 9.049 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.098 4.144 10.561 1.00 0.00 H new ATOM 256 N GLN A 18 -5.887 4.680 11.123 1.00 0.00 N ATOM 257 CA GLN A 18 -5.108 3.613 11.739 1.00 0.00 C ATOM 258 C GLN A 18 -4.357 2.801 10.686 1.00 0.00 C ATOM 259 O GLN A 18 -4.188 3.246 9.550 1.00 0.00 O ATOM 260 CB GLN A 18 -6.026 2.699 12.556 1.00 0.00 C ATOM 261 CG GLN A 18 -5.469 2.346 13.925 1.00 0.00 C ATOM 262 CD GLN A 18 -6.288 2.932 15.059 1.00 0.00 C ATOM 263 OE1 GLN A 18 -5.793 3.741 15.844 1.00 0.00 O ATOM 264 NE2 GLN A 18 -7.549 2.526 15.149 1.00 0.00 N ATOM 0 H GLN A 18 -5.995 4.596 10.112 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.372 4.067 12.402 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.993 3.186 12.681 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.202 1.780 11.996 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.434 1.262 14.030 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.443 2.706 13.999 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.918 1.854 14.476 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.149 2.886 15.891 1.00 0.00 H new ATOM 273 N TYR A 19 -3.907 1.609 11.071 1.00 0.00 N ATOM 274 CA TYR A 19 -3.174 0.736 10.161 1.00 0.00 C ATOM 275 C TYR A 19 -3.407 -0.730 10.512 1.00 0.00 C ATOM 276 O TYR A 19 -3.504 -1.091 11.685 1.00 0.00 O ATOM 277 CB TYR A 19 -1.678 1.054 10.213 1.00 0.00 C ATOM 278 CG TYR A 19 -1.104 1.043 11.611 1.00 0.00 C ATOM 279 CD1 TYR A 19 -0.772 -0.152 12.238 1.00 0.00 C ATOM 280 CD2 TYR A 19 -0.893 2.228 12.305 1.00 0.00 C ATOM 281 CE1 TYR A 19 -0.247 -0.166 13.516 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.367 2.223 13.583 1.00 0.00 C ATOM 283 CZ TYR A 19 -0.046 1.024 14.184 1.00 0.00 C ATOM 284 OH TYR A 19 0.477 1.014 15.457 1.00 0.00 O ATOM 0 H TYR A 19 -4.038 1.227 12.008 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.541 0.912 9.150 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.140 0.329 9.603 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.508 2.034 9.767 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.927 -1.086 11.718 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.144 3.169 11.838 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.005 -1.104 13.989 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.208 3.153 14.108 1.00 0.00 H new ATOM 0 HH TYR A 19 0.556 1.934 15.785 1.00 0.00 H new ATOM 294 N THR A 20 -3.499 -1.571 9.486 1.00 0.00 N ATOM 295 CA THR A 20 -3.726 -2.998 9.683 1.00 0.00 C ATOM 296 C THR A 20 -2.413 -3.779 9.676 1.00 0.00 C ATOM 297 O THR A 20 -2.378 -4.950 10.055 1.00 0.00 O ATOM 298 CB THR A 20 -4.657 -3.540 8.598 1.00 0.00 C ATOM 299 OG1 THR A 20 -3.968 -3.674 7.367 1.00 0.00 O ATOM 300 CG2 THR A 20 -5.866 -2.663 8.354 1.00 0.00 C ATOM 0 H THR A 20 -3.420 -1.288 8.509 1.00 0.00 H new ATOM 0 HA THR A 20 -4.193 -3.128 10.659 1.00 0.00 H new ATOM 0 HB THR A 20 -4.998 -4.507 8.967 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.391 -4.376 6.830 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.484 -3.105 7.573 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.447 -2.580 9.273 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.539 -1.672 8.040 1.00 0.00 H new ATOM 308 N VAL A 21 -1.334 -3.132 9.241 1.00 0.00 N ATOM 309 CA VAL A 21 -0.030 -3.781 9.188 1.00 0.00 C ATOM 310 C VAL A 21 1.098 -2.775 9.394 1.00 0.00 C ATOM 311 O VAL A 21 1.028 -1.641 8.920 1.00 0.00 O ATOM 312 CB VAL A 21 0.182 -4.505 7.845 1.00 0.00 C ATOM 313 CG1 VAL A 21 -0.826 -5.631 7.680 1.00 0.00 C ATOM 314 CG2 VAL A 21 0.091 -3.523 6.687 1.00 0.00 C ATOM 0 H VAL A 21 -1.338 -2.163 8.922 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.010 -4.513 9.996 1.00 0.00 H new ATOM 0 HB VAL A 21 1.181 -4.940 7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.660 -6.131 6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.705 -6.349 8.491 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.836 -5.222 7.705 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.243 -4.054 5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.893 -3.055 6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.857 -2.756 6.799 1.00 0.00 H new ATOM 324 N GLU A 22 2.137 -3.202 10.103 1.00 0.00 N ATOM 325 CA GLU A 22 3.284 -2.344 10.375 1.00 0.00 C ATOM 326 C GLU A 22 4.064 -2.056 9.097 1.00 0.00 C ATOM 327 O GLU A 22 3.666 -2.470 8.008 1.00 0.00 O ATOM 328 CB GLU A 22 4.203 -3.002 11.406 1.00 0.00 C ATOM 329 CG GLU A 22 4.742 -4.353 10.963 1.00 0.00 C ATOM 330 CD GLU A 22 6.227 -4.505 11.231 1.00 0.00 C ATOM 331 OE1 GLU A 22 6.612 -4.575 12.417 1.00 0.00 O ATOM 332 OE2 GLU A 22 7.004 -4.554 10.255 1.00 0.00 O ATOM 0 H GLU A 22 2.208 -4.139 10.500 1.00 0.00 H new ATOM 0 HA GLU A 22 2.913 -1.400 10.774 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.040 -2.336 11.612 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.657 -3.126 12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.200 -5.144 11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.554 -4.483 9.897 1.00 0.00 H new ATOM 339 N ASP A 23 5.180 -1.346 9.238 1.00 0.00 N ATOM 340 CA ASP A 23 6.018 -1.006 8.095 1.00 0.00 C ATOM 341 C ASP A 23 6.515 -2.266 7.395 1.00 0.00 C ATOM 342 O ASP A 23 7.087 -3.155 8.026 1.00 0.00 O ATOM 343 CB ASP A 23 7.208 -0.155 8.543 1.00 0.00 C ATOM 344 CG ASP A 23 6.789 1.009 9.419 1.00 0.00 C ATOM 345 OD1 ASP A 23 6.443 2.074 8.866 1.00 0.00 O ATOM 346 OD2 ASP A 23 6.806 0.856 10.658 1.00 0.00 O ATOM 0 H ASP A 23 5.524 -0.996 10.132 1.00 0.00 H new ATOM 0 HA ASP A 23 5.415 -0.432 7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.914 -0.781 9.089 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.731 0.224 7.665 1.00 0.00 H new ATOM 351 N GLY A 24 6.290 -2.339 6.087 1.00 0.00 N ATOM 352 CA GLY A 24 6.718 -3.498 5.326 1.00 0.00 C ATOM 353 C GLY A 24 5.860 -4.718 5.598 1.00 0.00 C ATOM 354 O GLY A 24 6.314 -5.851 5.445 1.00 0.00 O ATOM 0 H GLY A 24 5.820 -1.617 5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.684 -3.263 4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.756 -3.726 5.569 1.00 0.00 H new ATOM 358 N GLY A 25 4.615 -4.484 6.004 1.00 0.00 N ATOM 359 CA GLY A 25 3.710 -5.582 6.292 1.00 0.00 C ATOM 360 C GLY A 25 3.341 -6.371 5.051 1.00 0.00 C ATOM 361 O GLY A 25 2.666 -5.857 4.159 1.00 0.00 O ATOM 0 H GLY A 25 4.217 -3.554 6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.173 -6.249 7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.803 -5.190 6.752 1.00 0.00 H new ATOM 365 N HIS A 26 3.787 -7.621 4.993 1.00 0.00 N ATOM 366 CA HIS A 26 3.501 -8.484 3.852 1.00 0.00 C ATOM 367 C HIS A 26 2.001 -8.719 3.706 1.00 0.00 C ATOM 368 O HIS A 26 1.352 -9.238 4.614 1.00 0.00 O ATOM 369 CB HIS A 26 4.226 -9.822 4.005 1.00 0.00 C ATOM 370 CG HIS A 26 3.920 -10.524 5.292 1.00 0.00 C ATOM 371 ND1 HIS A 26 2.954 -11.501 5.406 1.00 0.00 N ATOM 372 CD2 HIS A 26 4.460 -10.386 6.527 1.00 0.00 C ATOM 373 CE1 HIS A 26 2.912 -11.933 6.654 1.00 0.00 C ATOM 374 NE2 HIS A 26 3.816 -11.273 7.353 1.00 0.00 N ATOM 0 H HIS A 26 4.348 -8.060 5.723 1.00 0.00 H new ATOM 0 HA HIS A 26 3.859 -7.984 2.952 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.954 -10.471 3.173 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.301 -9.653 3.939 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.250 -9.705 6.809 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.251 -12.696 7.037 1.00 0.00 H new ATOM 0 HE2 HIS A 26 4.006 -11.401 8.347 1.00 0.00 H new ATOM 383 N VAL A 27 1.456 -8.336 2.555 1.00 0.00 N ATOM 384 CA VAL A 27 0.033 -8.508 2.286 1.00 0.00 C ATOM 385 C VAL A 27 -0.213 -8.818 0.813 1.00 0.00 C ATOM 386 O VAL A 27 0.404 -8.219 -0.068 1.00 0.00 O ATOM 387 CB VAL A 27 -0.771 -7.252 2.675 1.00 0.00 C ATOM 388 CG1 VAL A 27 -0.653 -6.981 4.167 1.00 0.00 C ATOM 389 CG2 VAL A 27 -0.307 -6.048 1.868 1.00 0.00 C ATOM 0 H VAL A 27 1.979 -7.904 1.793 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.304 -9.347 2.894 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.821 -7.431 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.227 -6.090 4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.041 -7.834 4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.394 -6.824 4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.886 -5.171 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.750 -5.865 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.452 -6.244 0.806 1.00 0.00 H new ATOM 399 N GLU A 28 -1.119 -9.754 0.553 1.00 0.00 N ATOM 400 CA GLU A 28 -1.445 -10.138 -0.815 1.00 0.00 C ATOM 401 C GLU A 28 -2.486 -9.195 -1.412 1.00 0.00 C ATOM 402 O GLU A 28 -3.211 -8.516 -0.685 1.00 0.00 O ATOM 403 CB GLU A 28 -1.956 -11.581 -0.856 1.00 0.00 C ATOM 404 CG GLU A 28 -3.357 -11.752 -0.286 1.00 0.00 C ATOM 405 CD GLU A 28 -3.423 -12.812 0.796 1.00 0.00 C ATOM 406 OE1 GLU A 28 -2.742 -12.649 1.830 1.00 0.00 O ATOM 407 OE2 GLU A 28 -4.156 -13.806 0.608 1.00 0.00 O ATOM 0 H GLU A 28 -1.640 -10.260 1.270 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.536 -10.068 -1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.949 -11.930 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.267 -12.217 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.697 -10.800 0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.042 -12.017 -1.091 1.00 0.00 H new ATOM 414 N ALA A 29 -2.556 -9.161 -2.739 1.00 0.00 N ATOM 415 CA ALA A 29 -3.510 -8.303 -3.437 1.00 0.00 C ATOM 416 C ALA A 29 -4.912 -8.438 -2.849 1.00 0.00 C ATOM 417 O ALA A 29 -5.419 -9.546 -2.675 1.00 0.00 O ATOM 418 CB ALA A 29 -3.525 -8.631 -4.923 1.00 0.00 C ATOM 0 H ALA A 29 -1.963 -9.718 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.191 -7.269 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.240 -7.984 -5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.531 -8.472 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.815 -9.672 -5.063 1.00 0.00 H new ATOM 424 N GLY A 30 -5.533 -7.303 -2.545 1.00 0.00 N ATOM 425 CA GLY A 30 -6.869 -7.318 -1.981 1.00 0.00 C ATOM 426 C GLY A 30 -6.863 -7.209 -0.468 1.00 0.00 C ATOM 427 O GLY A 30 -7.832 -6.744 0.131 1.00 0.00 O ATOM 0 H GLY A 30 -5.135 -6.374 -2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.445 -6.493 -2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.373 -8.239 -2.274 1.00 0.00 H new ATOM 431 N SER A 31 -5.768 -7.640 0.151 1.00 0.00 N ATOM 432 CA SER A 31 -5.640 -7.589 1.603 1.00 0.00 C ATOM 433 C SER A 31 -5.461 -6.153 2.083 1.00 0.00 C ATOM 434 O SER A 31 -4.627 -5.413 1.561 1.00 0.00 O ATOM 435 CB SER A 31 -4.457 -8.444 2.062 1.00 0.00 C ATOM 436 OG SER A 31 -4.291 -8.372 3.467 1.00 0.00 O ATOM 0 H SER A 31 -4.957 -8.028 -0.330 1.00 0.00 H new ATOM 0 HA SER A 31 -6.557 -7.987 2.038 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.616 -9.480 1.764 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.546 -8.106 1.567 1.00 0.00 H new ATOM 0 HG SER A 31 -3.530 -8.928 3.735 1.00 0.00 H new ATOM 442 N SER A 32 -6.250 -5.764 3.079 1.00 0.00 N ATOM 443 CA SER A 32 -6.179 -4.416 3.629 1.00 0.00 C ATOM 444 C SER A 32 -4.848 -4.188 4.339 1.00 0.00 C ATOM 445 O SER A 32 -4.334 -5.078 5.016 1.00 0.00 O ATOM 446 CB SER A 32 -7.336 -4.176 4.600 1.00 0.00 C ATOM 447 OG SER A 32 -7.060 -4.734 5.872 1.00 0.00 O ATOM 0 H SER A 32 -6.946 -6.364 3.522 1.00 0.00 H new ATOM 0 HA SER A 32 -6.256 -3.709 2.803 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.514 -3.105 4.700 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.249 -4.615 4.198 1.00 0.00 H new ATOM 0 HG SER A 32 -7.815 -4.565 6.474 1.00 0.00 H new ATOM 453 N TYR A 33 -4.295 -2.989 4.179 1.00 0.00 N ATOM 454 CA TYR A 33 -3.021 -2.645 4.804 1.00 0.00 C ATOM 455 C TYR A 33 -3.162 -1.445 5.742 1.00 0.00 C ATOM 456 O TYR A 33 -2.257 -1.151 6.523 1.00 0.00 O ATOM 457 CB TYR A 33 -1.968 -2.351 3.733 1.00 0.00 C ATOM 458 CG TYR A 33 -2.216 -1.069 2.969 1.00 0.00 C ATOM 459 CD1 TYR A 33 -1.824 0.158 3.490 1.00 0.00 C ATOM 460 CD2 TYR A 33 -2.842 -1.086 1.730 1.00 0.00 C ATOM 461 CE1 TYR A 33 -2.048 1.331 2.796 1.00 0.00 C ATOM 462 CE2 TYR A 33 -3.070 0.083 1.030 1.00 0.00 C ATOM 463 CZ TYR A 33 -2.671 1.289 1.567 1.00 0.00 C ATOM 464 OH TYR A 33 -2.897 2.456 0.874 1.00 0.00 O ATOM 0 H TYR A 33 -4.708 -2.240 3.623 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.701 -3.501 5.398 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.987 -2.297 4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.937 -3.183 3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.336 0.195 4.453 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.156 -2.029 1.306 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.737 2.277 3.214 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.558 0.053 0.067 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.021 3.194 1.507 1.00 0.00 H new ATOM 474 N ALA A 34 -4.297 -0.754 5.663 1.00 0.00 N ATOM 475 CA ALA A 34 -4.542 0.410 6.507 1.00 0.00 C ATOM 476 C ALA A 34 -5.973 0.907 6.351 1.00 0.00 C ATOM 477 O ALA A 34 -6.796 0.267 5.696 1.00 0.00 O ATOM 478 CB ALA A 34 -3.558 1.521 6.176 1.00 0.00 C ATOM 0 H ALA A 34 -5.059 -0.980 5.024 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.398 0.111 7.545 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.754 2.383 6.814 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.541 1.168 6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.673 1.810 5.131 1.00 0.00 H new ATOM 484 N GLU A 35 -6.264 2.051 6.959 1.00 0.00 N ATOM 485 CA GLU A 35 -7.599 2.633 6.890 1.00 0.00 C ATOM 486 C GLU A 35 -7.527 4.156 6.920 1.00 0.00 C ATOM 487 O GLU A 35 -6.497 4.732 7.272 1.00 0.00 O ATOM 488 CB GLU A 35 -8.461 2.130 8.052 1.00 0.00 C ATOM 489 CG GLU A 35 -8.188 0.684 8.438 1.00 0.00 C ATOM 490 CD GLU A 35 -9.294 0.089 9.288 1.00 0.00 C ATOM 491 OE1 GLU A 35 -10.033 0.866 9.929 1.00 0.00 O ATOM 492 OE2 GLU A 35 -9.420 -1.153 9.314 1.00 0.00 O ATOM 0 H GLU A 35 -5.594 2.593 7.505 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.055 2.324 5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.291 2.766 8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.512 2.232 7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.068 0.087 7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.246 0.629 8.983 1.00 0.00 H new ATOM 499 N MET A 36 -8.627 4.803 6.552 1.00 0.00 N ATOM 500 CA MET A 36 -8.686 6.260 6.540 1.00 0.00 C ATOM 501 C MET A 36 -10.107 6.751 6.808 1.00 0.00 C ATOM 502 O MET A 36 -11.055 6.326 6.148 1.00 0.00 O ATOM 503 CB MET A 36 -8.180 6.805 5.199 1.00 0.00 C ATOM 504 CG MET A 36 -9.189 6.693 4.065 1.00 0.00 C ATOM 505 SD MET A 36 -8.406 6.519 2.450 1.00 0.00 S ATOM 506 CE MET A 36 -7.300 7.927 2.453 1.00 0.00 C ATOM 0 H MET A 36 -9.489 4.343 6.258 1.00 0.00 H new ATOM 0 HA MET A 36 -8.041 6.631 7.336 1.00 0.00 H new ATOM 0 HB2 MET A 36 -7.905 7.852 5.325 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.273 6.268 4.919 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.837 5.835 4.244 1.00 0.00 H new ATOM 0 HG3 MET A 36 -9.826 7.578 4.062 1.00 0.00 H new ATOM 0 HE1 MET A 36 -6.354 7.648 1.989 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.751 8.745 1.892 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.120 8.246 3.480 1.00 0.00 H new ATOM 516 N GLU A 37 -10.245 7.646 7.780 1.00 0.00 N ATOM 517 CA GLU A 37 -11.549 8.193 8.135 1.00 0.00 C ATOM 518 C GLU A 37 -11.849 9.453 7.330 1.00 0.00 C ATOM 519 O GLU A 37 -11.259 10.507 7.563 1.00 0.00 O ATOM 520 CB GLU A 37 -11.604 8.506 9.632 1.00 0.00 C ATOM 521 CG GLU A 37 -13.016 8.692 10.162 1.00 0.00 C ATOM 522 CD GLU A 37 -13.126 8.392 11.644 1.00 0.00 C ATOM 523 OE1 GLU A 37 -12.499 7.413 12.100 1.00 0.00 O ATOM 524 OE2 GLU A 37 -13.840 9.136 12.349 1.00 0.00 O ATOM 0 H GLU A 37 -9.470 8.008 8.336 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.305 7.444 7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.122 7.698 10.182 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.029 9.411 9.827 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.337 9.717 9.978 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.695 8.041 9.612 1.00 0.00 H new ATOM 531 N VAL A 38 -12.773 9.334 6.382 1.00 0.00 N ATOM 532 CA VAL A 38 -13.157 10.462 5.541 1.00 0.00 C ATOM 533 C VAL A 38 -14.344 11.204 6.145 1.00 0.00 C ATOM 534 O VAL A 38 -14.946 10.742 7.115 1.00 0.00 O ATOM 535 CB VAL A 38 -13.522 10.007 4.111 1.00 0.00 C ATOM 536 CG1 VAL A 38 -13.310 11.139 3.118 1.00 0.00 C ATOM 537 CG2 VAL A 38 -12.712 8.783 3.707 1.00 0.00 C ATOM 0 H VAL A 38 -13.270 8.467 6.177 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.296 11.128 5.487 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.577 9.734 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.573 10.798 2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.941 11.985 3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.264 11.446 3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.987 8.482 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.649 9.024 3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.919 7.966 4.398 1.00 0.00 H new ATOM 547 N MET A 39 -14.679 12.355 5.571 1.00 0.00 N ATOM 548 CA MET A 39 -15.797 13.154 6.061 1.00 0.00 C ATOM 549 C MET A 39 -17.093 12.349 6.028 1.00 0.00 C ATOM 550 O MET A 39 -17.999 12.581 6.828 1.00 0.00 O ATOM 551 CB MET A 39 -15.950 14.424 5.223 1.00 0.00 C ATOM 552 CG MET A 39 -14.671 15.240 5.114 1.00 0.00 C ATOM 553 SD MET A 39 -14.895 16.961 5.603 1.00 0.00 S ATOM 554 CE MET A 39 -14.566 17.799 4.055 1.00 0.00 C ATOM 0 H MET A 39 -14.194 12.755 4.768 1.00 0.00 H new ATOM 0 HA MET A 39 -15.588 13.433 7.094 1.00 0.00 H new ATOM 0 HB2 MET A 39 -16.283 14.151 4.222 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.731 15.046 5.660 1.00 0.00 H new ATOM 0 HG2 MET A 39 -13.902 14.787 5.740 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.309 15.203 4.087 1.00 0.00 H new ATOM 0 HE1 MET A 39 -14.666 18.875 4.196 1.00 0.00 H new ATOM 0 HE2 MET A 39 -13.553 17.568 3.724 1.00 0.00 H new ATOM 0 HE3 MET A 39 -15.279 17.464 3.301 1.00 0.00 H new ATOM 564 N LYS A 40 -17.171 11.400 5.100 1.00 0.00 N ATOM 565 CA LYS A 40 -18.354 10.559 4.967 1.00 0.00 C ATOM 566 C LYS A 40 -18.373 9.476 6.041 1.00 0.00 C ATOM 567 O LYS A 40 -19.148 9.547 6.995 1.00 0.00 O ATOM 568 CB LYS A 40 -18.395 9.917 3.579 1.00 0.00 C ATOM 569 CG LYS A 40 -18.719 10.899 2.464 1.00 0.00 C ATOM 570 CD LYS A 40 -20.219 11.081 2.302 1.00 0.00 C ATOM 571 CE LYS A 40 -20.547 12.363 1.553 1.00 0.00 C ATOM 572 NZ LYS A 40 -20.151 12.285 0.120 1.00 0.00 N ATOM 0 H LYS A 40 -16.430 11.195 4.430 1.00 0.00 H new ATOM 0 HA LYS A 40 -19.234 11.189 5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.430 9.453 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.139 9.120 3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.256 11.862 2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.291 10.542 1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.634 10.228 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.692 11.101 3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.616 12.561 1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.035 13.201 2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.391 13.178 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.126 12.121 0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.658 11.501 -0.338 1.00 0.00 H new ATOM 586 N MET A 41 -17.514 8.474 5.879 1.00 0.00 N ATOM 587 CA MET A 41 -17.432 7.375 6.835 1.00 0.00 C ATOM 588 C MET A 41 -16.028 6.777 6.857 1.00 0.00 C ATOM 589 O MET A 41 -15.091 7.346 6.297 1.00 0.00 O ATOM 590 CB MET A 41 -18.460 6.294 6.488 1.00 0.00 C ATOM 591 CG MET A 41 -19.563 6.150 7.523 1.00 0.00 C ATOM 592 SD MET A 41 -21.165 5.781 6.783 1.00 0.00 S ATOM 593 CE MET A 41 -22.146 7.147 7.400 1.00 0.00 C ATOM 0 H MET A 41 -16.865 8.401 5.095 1.00 0.00 H new ATOM 0 HA MET A 41 -17.652 7.769 7.827 1.00 0.00 H new ATOM 0 HB2 MET A 41 -18.908 6.527 5.522 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.947 5.338 6.380 1.00 0.00 H new ATOM 0 HG2 MET A 41 -19.299 5.357 8.222 1.00 0.00 H new ATOM 0 HG3 MET A 41 -19.637 7.072 8.100 1.00 0.00 H new ATOM 0 HE1 MET A 41 -23.167 7.059 7.028 1.00 0.00 H new ATOM 0 HE2 MET A 41 -22.154 7.126 8.490 1.00 0.00 H new ATOM 0 HE3 MET A 41 -21.715 8.088 7.059 1.00 0.00 H new ATOM 603 N ILE A 42 -15.892 5.624 7.505 1.00 0.00 N ATOM 604 CA ILE A 42 -14.606 4.945 7.598 1.00 0.00 C ATOM 605 C ILE A 42 -14.328 4.128 6.340 1.00 0.00 C ATOM 606 O ILE A 42 -15.252 3.648 5.683 1.00 0.00 O ATOM 607 CB ILE A 42 -14.552 4.015 8.829 1.00 0.00 C ATOM 608 CG1 ILE A 42 -13.196 3.310 8.917 1.00 0.00 C ATOM 609 CG2 ILE A 42 -15.680 2.996 8.770 1.00 0.00 C ATOM 610 CD1 ILE A 42 -12.024 4.261 9.029 1.00 0.00 C ATOM 0 H ILE A 42 -16.658 5.141 7.974 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.843 5.716 7.702 1.00 0.00 H new ATOM 0 HB ILE A 42 -14.678 4.623 9.725 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.197 2.645 9.781 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.063 2.685 8.034 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -15.630 2.347 9.644 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -16.639 3.515 8.758 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.581 2.395 7.866 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.097 3.691 9.087 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.997 4.910 8.153 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.133 4.869 9.927 1.00 0.00 H new ATOM 622 N MET A 43 -13.049 3.975 6.009 1.00 0.00 N ATOM 623 CA MET A 43 -12.654 3.216 4.828 1.00 0.00 C ATOM 624 C MET A 43 -11.355 2.455 5.076 1.00 0.00 C ATOM 625 O MET A 43 -10.535 2.857 5.901 1.00 0.00 O ATOM 626 CB MET A 43 -12.490 4.150 3.627 1.00 0.00 C ATOM 627 CG MET A 43 -13.809 4.564 2.996 1.00 0.00 C ATOM 628 SD MET A 43 -14.546 3.253 2.001 1.00 0.00 S ATOM 629 CE MET A 43 -15.524 4.212 0.847 1.00 0.00 C ATOM 0 H MET A 43 -12.271 4.365 6.541 1.00 0.00 H new ATOM 0 HA MET A 43 -13.441 2.493 4.613 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.951 5.043 3.943 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.875 3.656 2.874 1.00 0.00 H new ATOM 0 HG2 MET A 43 -14.507 4.855 3.781 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.648 5.442 2.371 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.042 3.540 0.163 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.255 4.806 1.395 1.00 0.00 H new ATOM 0 HE3 MET A 43 -14.871 4.875 0.279 1.00 0.00 H new ATOM 639 N THR A 44 -11.176 1.353 4.354 1.00 0.00 N ATOM 640 CA THR A 44 -9.977 0.532 4.494 1.00 0.00 C ATOM 641 C THR A 44 -9.214 0.454 3.176 1.00 0.00 C ATOM 642 O THR A 44 -9.797 0.184 2.126 1.00 0.00 O ATOM 643 CB THR A 44 -10.348 -0.879 4.962 1.00 0.00 C ATOM 644 OG1 THR A 44 -11.712 -0.943 5.340 1.00 0.00 O ATOM 645 CG2 THR A 44 -9.525 -1.355 6.139 1.00 0.00 C ATOM 0 H THR A 44 -11.845 1.008 3.666 1.00 0.00 H new ATOM 0 HA THR A 44 -9.335 0.999 5.241 1.00 0.00 H new ATOM 0 HB THR A 44 -10.144 -1.526 4.109 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.928 -1.853 5.634 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.839 -2.360 6.419 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.470 -1.367 5.864 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.672 -0.680 6.982 1.00 0.00 H new ATOM 653 N LEU A 45 -7.908 0.688 3.238 1.00 0.00 N ATOM 654 CA LEU A 45 -7.069 0.638 2.046 1.00 0.00 C ATOM 655 C LEU A 45 -6.493 -0.759 1.848 1.00 0.00 C ATOM 656 O LEU A 45 -6.268 -1.491 2.811 1.00 0.00 O ATOM 657 CB LEU A 45 -5.932 1.656 2.145 1.00 0.00 C ATOM 658 CG LEU A 45 -6.324 3.108 1.857 1.00 0.00 C ATOM 659 CD1 LEU A 45 -7.164 3.202 0.591 1.00 0.00 C ATOM 660 CD2 LEU A 45 -7.070 3.704 3.043 1.00 0.00 C ATOM 0 H LEU A 45 -7.408 0.914 4.098 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.693 0.886 1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.507 1.604 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.145 1.365 1.449 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.411 3.683 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.430 4.243 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.592 2.819 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.072 2.611 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.341 4.736 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.973 3.125 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.430 3.678 3.925 1.00 0.00 H new ATOM 672 N ASN A 46 -6.259 -1.122 0.592 1.00 0.00 N ATOM 673 CA ASN A 46 -5.709 -2.433 0.265 1.00 0.00 C ATOM 674 C ASN A 46 -4.659 -2.330 -0.837 1.00 0.00 C ATOM 675 O ASN A 46 -4.500 -1.281 -1.461 1.00 0.00 O ATOM 676 CB ASN A 46 -6.827 -3.383 -0.169 1.00 0.00 C ATOM 677 CG ASN A 46 -7.661 -2.817 -1.301 1.00 0.00 C ATOM 678 OD1 ASN A 46 -7.417 -3.107 -2.472 1.00 0.00 O ATOM 679 ND2 ASN A 46 -8.652 -2.004 -0.957 1.00 0.00 N ATOM 0 H ASN A 46 -6.441 -0.527 -0.216 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.229 -2.828 1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.392 -4.332 -0.482 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.472 -3.593 0.684 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.247 -1.592 -1.676 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.819 -1.791 0.026 1.00 0.00 H new ATOM 686 N VAL A 47 -3.947 -3.428 -1.071 1.00 0.00 N ATOM 687 CA VAL A 47 -2.914 -3.464 -2.100 1.00 0.00 C ATOM 688 C VAL A 47 -3.473 -3.977 -3.423 1.00 0.00 C ATOM 689 O VAL A 47 -4.384 -4.804 -3.443 1.00 0.00 O ATOM 690 CB VAL A 47 -1.728 -4.353 -1.681 1.00 0.00 C ATOM 691 CG1 VAL A 47 -0.868 -3.646 -0.646 1.00 0.00 C ATOM 692 CG2 VAL A 47 -2.223 -5.691 -1.151 1.00 0.00 C ATOM 0 H VAL A 47 -4.066 -4.304 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.563 -2.440 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.113 -4.543 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.036 -4.290 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.481 -2.718 -1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.469 -3.422 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.371 -6.305 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.863 -5.525 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.790 -6.203 -1.928 1.00 0.00 H new ATOM 702 N GLN A 48 -2.919 -3.483 -4.526 1.00 0.00 N ATOM 703 CA GLN A 48 -3.364 -3.894 -5.854 1.00 0.00 C ATOM 704 C GLN A 48 -2.639 -5.158 -6.318 1.00 0.00 C ATOM 705 O GLN A 48 -3.054 -5.799 -7.282 1.00 0.00 O ATOM 706 CB GLN A 48 -3.158 -2.765 -6.870 1.00 0.00 C ATOM 707 CG GLN A 48 -1.806 -2.074 -6.766 1.00 0.00 C ATOM 708 CD GLN A 48 -0.643 -3.031 -6.938 1.00 0.00 C ATOM 709 OE1 GLN A 48 -0.550 -3.739 -7.940 1.00 0.00 O ATOM 710 NE2 GLN A 48 0.253 -3.055 -5.958 1.00 0.00 N ATOM 0 H GLN A 48 -2.163 -2.799 -4.527 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.429 -4.117 -5.788 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.270 -3.171 -7.875 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.945 -2.022 -6.736 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.743 -1.293 -7.524 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.727 -1.584 -5.796 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.136 -2.450 -5.145 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.058 -3.678 -6.018 1.00 0.00 H new ATOM 719 N GLU A 49 -1.557 -5.513 -5.629 1.00 0.00 N ATOM 720 CA GLU A 49 -0.786 -6.702 -5.979 1.00 0.00 C ATOM 721 C GLU A 49 -0.049 -7.252 -4.762 1.00 0.00 C ATOM 722 O GLU A 49 0.085 -6.573 -3.745 1.00 0.00 O ATOM 723 CB GLU A 49 0.215 -6.381 -7.091 1.00 0.00 C ATOM 724 CG GLU A 49 -0.379 -6.463 -8.488 1.00 0.00 C ATOM 725 CD GLU A 49 -0.862 -7.857 -8.835 1.00 0.00 C ATOM 726 OE1 GLU A 49 -0.077 -8.815 -8.674 1.00 0.00 O ATOM 727 OE2 GLU A 49 -2.026 -7.992 -9.268 1.00 0.00 O ATOM 0 H GLU A 49 -1.196 -4.996 -4.828 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.483 -7.461 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.612 -5.378 -6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.056 -7.071 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.212 -5.764 -8.566 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.369 -6.150 -9.216 1.00 0.00 H new ATOM 734 N ARG A 50 0.426 -8.489 -4.876 1.00 0.00 N ATOM 735 CA ARG A 50 1.150 -9.134 -3.786 1.00 0.00 C ATOM 736 C ARG A 50 2.500 -8.464 -3.555 1.00 0.00 C ATOM 737 O ARG A 50 3.180 -8.072 -4.503 1.00 0.00 O ATOM 738 CB ARG A 50 1.352 -10.620 -4.091 1.00 0.00 C ATOM 739 CG ARG A 50 0.087 -11.450 -3.946 1.00 0.00 C ATOM 740 CD ARG A 50 -0.809 -11.319 -5.167 1.00 0.00 C ATOM 741 NE ARG A 50 -0.117 -11.695 -6.397 1.00 0.00 N ATOM 742 CZ ARG A 50 -0.661 -11.610 -7.609 1.00 0.00 C ATOM 743 NH1 ARG A 50 -1.901 -11.162 -7.758 1.00 0.00 N ATOM 744 NH2 ARG A 50 0.038 -11.974 -8.676 1.00 0.00 N ATOM 0 H ARG A 50 0.322 -9.064 -5.712 1.00 0.00 H new ATOM 0 HA ARG A 50 0.555 -9.032 -2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.731 -10.725 -5.108 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.116 -11.018 -3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.352 -12.497 -3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.458 -11.132 -3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.690 -11.949 -5.040 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.162 -10.291 -5.249 1.00 0.00 H new ATOM 0 HE ARG A 50 0.839 -12.043 -6.323 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.443 -10.880 -6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.312 -11.099 -8.689 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.992 -12.319 -8.568 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.378 -11.909 -9.605 1.00 0.00 H new ATOM 758 N GLY A 51 2.884 -8.337 -2.289 1.00 0.00 N ATOM 759 CA GLY A 51 4.152 -7.715 -1.958 1.00 0.00 C ATOM 760 C GLY A 51 4.166 -7.129 -0.559 1.00 0.00 C ATOM 761 O GLY A 51 3.180 -7.228 0.172 1.00 0.00 O ATOM 0 H GLY A 51 2.340 -8.654 -1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.949 -8.453 -2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.366 -6.927 -2.680 1.00 0.00 H new ATOM 765 N ARG A 52 5.285 -6.517 -0.188 1.00 0.00 N ATOM 766 CA ARG A 52 5.424 -5.911 1.132 1.00 0.00 C ATOM 767 C ARG A 52 5.080 -4.426 1.085 1.00 0.00 C ATOM 768 O ARG A 52 5.700 -3.658 0.350 1.00 0.00 O ATOM 769 CB ARG A 52 6.848 -6.102 1.658 1.00 0.00 C ATOM 770 CG ARG A 52 7.018 -7.345 2.515 1.00 0.00 C ATOM 771 CD ARG A 52 7.501 -8.528 1.691 1.00 0.00 C ATOM 772 NE ARG A 52 8.953 -8.531 1.537 1.00 0.00 N ATOM 773 CZ ARG A 52 9.658 -9.602 1.178 1.00 0.00 C ATOM 774 NH1 ARG A 52 9.049 -10.756 0.936 1.00 0.00 N ATOM 775 NH2 ARG A 52 10.976 -9.518 1.060 1.00 0.00 N ATOM 0 H ARG A 52 6.109 -6.427 -0.782 1.00 0.00 H new ATOM 0 HA ARG A 52 4.727 -6.406 1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.534 -6.157 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.131 -5.226 2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.730 -7.142 3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.069 -7.594 2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.185 -9.456 2.169 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.032 -8.500 0.707 1.00 0.00 H new ATOM 0 HE ARG A 52 9.457 -7.662 1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.035 -10.826 1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.595 -11.573 0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.449 -8.633 1.244 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.517 -10.338 0.785 1.00 0.00 H new ATOM 789 N VAL A 53 4.086 -4.029 1.873 1.00 0.00 N ATOM 790 CA VAL A 53 3.658 -2.637 1.920 1.00 0.00 C ATOM 791 C VAL A 53 4.550 -1.814 2.842 1.00 0.00 C ATOM 792 O VAL A 53 4.736 -2.156 4.010 1.00 0.00 O ATOM 793 CB VAL A 53 2.198 -2.514 2.395 1.00 0.00 C ATOM 794 CG1 VAL A 53 1.709 -1.080 2.258 1.00 0.00 C ATOM 795 CG2 VAL A 53 1.305 -3.466 1.618 1.00 0.00 C ATOM 0 H VAL A 53 3.562 -4.652 2.487 1.00 0.00 H new ATOM 0 HA VAL A 53 3.737 -2.250 0.904 1.00 0.00 H new ATOM 0 HB VAL A 53 2.153 -2.787 3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.676 -1.014 2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.333 -0.423 2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.767 -0.774 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.277 -3.366 1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.353 -3.225 0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.643 -4.491 1.774 1.00 0.00 H new ATOM 805 N LYS A 54 5.093 -0.725 2.311 1.00 0.00 N ATOM 806 CA LYS A 54 5.961 0.153 3.085 1.00 0.00 C ATOM 807 C LYS A 54 5.321 1.527 3.252 1.00 0.00 C ATOM 808 O LYS A 54 5.182 2.278 2.288 1.00 0.00 O ATOM 809 CB LYS A 54 7.325 0.290 2.404 1.00 0.00 C ATOM 810 CG LYS A 54 7.889 -1.028 1.899 1.00 0.00 C ATOM 811 CD LYS A 54 9.291 -0.856 1.340 1.00 0.00 C ATOM 812 CE LYS A 54 10.333 -0.832 2.446 1.00 0.00 C ATOM 813 NZ LYS A 54 11.544 -0.059 2.054 1.00 0.00 N ATOM 0 H LYS A 54 4.947 -0.429 1.346 1.00 0.00 H new ATOM 0 HA LYS A 54 6.102 -0.289 4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.236 0.982 1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.030 0.731 3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.907 -1.753 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.235 -1.433 1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.511 -1.670 0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.345 0.070 0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.898 -0.394 3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.620 -1.853 2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.229 -0.067 2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.974 -0.491 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.275 0.923 1.840 1.00 0.00 H new ATOM 827 N TYR A 55 4.925 1.844 4.479 1.00 0.00 N ATOM 828 CA TYR A 55 4.291 3.125 4.773 1.00 0.00 C ATOM 829 C TYR A 55 5.190 4.293 4.380 1.00 0.00 C ATOM 830 O TYR A 55 6.370 4.327 4.727 1.00 0.00 O ATOM 831 CB TYR A 55 3.942 3.214 6.260 1.00 0.00 C ATOM 832 CG TYR A 55 2.580 2.651 6.597 1.00 0.00 C ATOM 833 CD1 TYR A 55 2.139 1.462 6.030 1.00 0.00 C ATOM 834 CD2 TYR A 55 1.735 3.309 7.481 1.00 0.00 C ATOM 835 CE1 TYR A 55 0.895 0.944 6.335 1.00 0.00 C ATOM 836 CE2 TYR A 55 0.489 2.797 7.792 1.00 0.00 C ATOM 837 CZ TYR A 55 0.074 1.615 7.216 1.00 0.00 C ATOM 838 OH TYR A 55 -1.165 1.103 7.523 1.00 0.00 O ATOM 0 H TYR A 55 5.032 1.231 5.288 1.00 0.00 H new ATOM 0 HA TYR A 55 3.376 3.187 4.184 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.699 2.680 6.835 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.982 4.258 6.572 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.779 0.934 5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.056 4.236 7.933 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.567 0.018 5.886 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.156 3.320 8.483 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.266 0.220 7.109 1.00 0.00 H new ATOM 848 N ILE A 56 4.617 5.255 3.661 1.00 0.00 N ATOM 849 CA ILE A 56 5.358 6.434 3.227 1.00 0.00 C ATOM 850 C ILE A 56 4.952 7.649 4.054 1.00 0.00 C ATOM 851 O ILE A 56 5.798 8.361 4.595 1.00 0.00 O ATOM 852 CB ILE A 56 5.132 6.719 1.719 1.00 0.00 C ATOM 853 CG1 ILE A 56 6.167 5.972 0.874 1.00 0.00 C ATOM 854 CG2 ILE A 56 5.194 8.213 1.420 1.00 0.00 C ATOM 855 CD1 ILE A 56 6.244 4.491 1.171 1.00 0.00 C ATOM 0 H ILE A 56 3.640 5.240 3.367 1.00 0.00 H new ATOM 0 HA ILE A 56 6.419 6.235 3.379 1.00 0.00 H new ATOM 0 HB ILE A 56 4.135 6.363 1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.929 6.110 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.148 6.418 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.032 8.378 0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.422 8.730 1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.173 8.600 1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.999 4.031 0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.513 4.343 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.275 4.030 0.977 1.00 0.00 H new ATOM 867 N LYS A 57 3.650 7.875 4.144 1.00 0.00 N ATOM 868 CA LYS A 57 3.113 8.996 4.899 1.00 0.00 C ATOM 869 C LYS A 57 3.267 8.763 6.400 1.00 0.00 C ATOM 870 O LYS A 57 3.559 7.651 6.839 1.00 0.00 O ATOM 871 CB LYS A 57 1.642 9.193 4.542 1.00 0.00 C ATOM 872 CG LYS A 57 1.397 10.331 3.565 1.00 0.00 C ATOM 873 CD LYS A 57 1.974 11.643 4.076 1.00 0.00 C ATOM 874 CE LYS A 57 3.254 12.012 3.343 1.00 0.00 C ATOM 875 NZ LYS A 57 2.983 12.828 2.128 1.00 0.00 N ATOM 0 H LYS A 57 2.941 7.291 3.700 1.00 0.00 H new ATOM 0 HA LYS A 57 3.672 9.895 4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.254 8.269 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.078 9.382 5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.845 10.087 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.326 10.444 3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.239 12.438 3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.176 11.561 5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.909 12.567 4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.784 11.103 3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.881 13.059 1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.378 12.289 1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.500 13.707 2.401 1.00 0.00 H new ATOM 889 N ARG A 58 3.067 9.819 7.183 1.00 0.00 N ATOM 890 CA ARG A 58 3.183 9.727 8.634 1.00 0.00 C ATOM 891 C ARG A 58 1.828 9.425 9.270 1.00 0.00 C ATOM 892 O ARG A 58 0.787 9.572 8.630 1.00 0.00 O ATOM 893 CB ARG A 58 3.750 11.029 9.204 1.00 0.00 C ATOM 894 CG ARG A 58 5.258 11.004 9.393 1.00 0.00 C ATOM 895 CD ARG A 58 5.986 10.943 8.060 1.00 0.00 C ATOM 896 NE ARG A 58 5.736 12.129 7.245 1.00 0.00 N ATOM 897 CZ ARG A 58 6.234 13.333 7.516 1.00 0.00 C ATOM 898 NH1 ARG A 58 7.009 13.515 8.578 1.00 0.00 N ATOM 899 NH2 ARG A 58 5.958 14.359 6.722 1.00 0.00 N ATOM 0 H ARG A 58 2.824 10.747 6.837 1.00 0.00 H new ATOM 0 HA ARG A 58 3.864 8.909 8.869 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.489 11.852 8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.275 11.233 10.164 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.572 11.893 9.940 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.535 10.142 10.000 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.057 10.843 8.236 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.669 10.055 7.514 1.00 0.00 H new ATOM 0 HE ARG A 58 5.145 12.029 6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.226 12.730 9.192 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.388 14.440 8.780 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.364 14.225 5.904 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.340 15.282 6.930 1.00 0.00 H new ATOM 913 N PRO A 59 1.823 8.998 10.545 1.00 0.00 N ATOM 914 CA PRO A 59 0.586 8.676 11.265 1.00 0.00 C ATOM 915 C PRO A 59 -0.281 9.906 11.502 1.00 0.00 C ATOM 916 O PRO A 59 0.195 10.932 11.989 1.00 0.00 O ATOM 917 CB PRO A 59 1.081 8.104 12.597 1.00 0.00 C ATOM 918 CG PRO A 59 2.450 8.664 12.768 1.00 0.00 C ATOM 919 CD PRO A 59 3.019 8.796 11.383 1.00 0.00 C ATOM 0 HA PRO A 59 -0.044 7.987 10.702 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.429 8.397 13.420 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.099 7.014 12.577 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.416 9.631 13.270 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.066 8.007 13.382 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.709 9.637 11.310 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.571 7.904 11.088 1.00 0.00 H new ATOM 927 N GLY A 60 -1.558 9.796 11.152 1.00 0.00 N ATOM 928 CA GLY A 60 -2.479 10.904 11.329 1.00 0.00 C ATOM 929 C GLY A 60 -2.513 11.837 10.130 1.00 0.00 C ATOM 930 O GLY A 60 -3.450 12.620 9.974 1.00 0.00 O ATOM 0 H GLY A 60 -1.973 8.957 10.748 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.481 10.513 11.508 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.194 11.470 12.216 1.00 0.00 H new ATOM 934 N ALA A 61 -1.489 11.757 9.285 1.00 0.00 N ATOM 935 CA ALA A 61 -1.403 12.602 8.099 1.00 0.00 C ATOM 936 C ALA A 61 -2.629 12.439 7.206 1.00 0.00 C ATOM 937 O ALA A 61 -3.101 11.325 6.979 1.00 0.00 O ATOM 938 CB ALA A 61 -0.138 12.282 7.318 1.00 0.00 C ATOM 0 H ALA A 61 -0.706 11.114 9.400 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.367 13.640 8.430 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.085 12.919 6.435 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.733 12.461 7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.155 11.236 7.011 1.00 0.00 H new ATOM 944 N VAL A 62 -3.134 13.557 6.695 1.00 0.00 N ATOM 945 CA VAL A 62 -4.298 13.540 5.818 1.00 0.00 C ATOM 946 C VAL A 62 -3.903 13.125 4.404 1.00 0.00 C ATOM 947 O VAL A 62 -3.047 13.753 3.782 1.00 0.00 O ATOM 948 CB VAL A 62 -4.981 14.919 5.764 1.00 0.00 C ATOM 949 CG1 VAL A 62 -6.296 14.835 5.004 1.00 0.00 C ATOM 950 CG2 VAL A 62 -5.201 15.461 7.168 1.00 0.00 C ATOM 0 H VAL A 62 -2.755 14.487 6.874 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.999 12.814 6.229 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.325 15.608 5.232 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.764 15.819 4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.107 14.495 3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.961 14.131 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.685 16.436 7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.836 14.774 7.728 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.241 15.562 7.674 1.00 0.00 H new ATOM 960 N LEU A 63 -4.526 12.064 3.901 1.00 0.00 N ATOM 961 CA LEU A 63 -4.225 11.575 2.558 1.00 0.00 C ATOM 962 C LEU A 63 -4.987 12.372 1.506 1.00 0.00 C ATOM 963 O LEU A 63 -5.931 13.096 1.821 1.00 0.00 O ATOM 964 CB LEU A 63 -4.568 10.088 2.429 1.00 0.00 C ATOM 965 CG LEU A 63 -3.626 9.132 3.167 1.00 0.00 C ATOM 966 CD1 LEU A 63 -3.470 9.539 4.625 1.00 0.00 C ATOM 967 CD2 LEU A 63 -4.134 7.703 3.063 1.00 0.00 C ATOM 0 H LEU A 63 -5.238 11.529 4.398 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.156 11.705 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.581 9.932 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.572 9.823 1.372 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.645 9.188 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.796 8.844 5.127 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.058 10.547 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.444 9.518 5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.454 7.036 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.127 7.637 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.186 7.411 2.014 1.00 0.00 H new ATOM 979 N GLU A 64 -4.567 12.233 0.253 1.00 0.00 N ATOM 980 CA GLU A 64 -5.207 12.938 -0.851 1.00 0.00 C ATOM 981 C GLU A 64 -5.454 11.996 -2.025 1.00 0.00 C ATOM 982 O GLU A 64 -4.809 10.955 -2.144 1.00 0.00 O ATOM 983 CB GLU A 64 -4.340 14.116 -1.301 1.00 0.00 C ATOM 984 CG GLU A 64 -3.797 14.946 -0.149 1.00 0.00 C ATOM 985 CD GLU A 64 -3.109 16.213 -0.617 1.00 0.00 C ATOM 986 OE1 GLU A 64 -2.404 16.160 -1.647 1.00 0.00 O ATOM 987 OE2 GLU A 64 -3.277 17.259 0.045 1.00 0.00 O ATOM 0 H GLU A 64 -3.786 11.638 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.168 13.316 -0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.505 13.738 -1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.927 14.759 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.615 15.208 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.092 14.345 0.426 1.00 0.00 H new ATOM 994 N ALA A 65 -6.390 12.369 -2.891 1.00 0.00 N ATOM 995 CA ALA A 65 -6.719 11.556 -4.055 1.00 0.00 C ATOM 996 C ALA A 65 -5.511 11.401 -4.971 1.00 0.00 C ATOM 997 O ALA A 65 -5.324 12.181 -5.906 1.00 0.00 O ATOM 998 CB ALA A 65 -7.886 12.170 -4.814 1.00 0.00 C ATOM 0 H ALA A 65 -6.933 13.228 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.009 10.564 -3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.121 11.553 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.757 12.225 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.617 13.173 -5.145 1.00 0.00 H new ATOM 1004 N GLY A 66 -4.693 10.390 -4.697 1.00 0.00 N ATOM 1005 CA GLY A 66 -3.511 10.151 -5.505 1.00 0.00 C ATOM 1006 C GLY A 66 -2.232 10.141 -4.687 1.00 0.00 C ATOM 1007 O GLY A 66 -1.175 9.756 -5.186 1.00 0.00 O ATOM 0 H GLY A 66 -4.827 9.732 -3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.615 9.196 -6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.440 10.921 -6.273 1.00 0.00 H new ATOM 1011 N CYS A 67 -2.324 10.566 -3.430 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.161 10.602 -2.550 1.00 0.00 C ATOM 1013 C CYS A 67 -0.639 9.194 -2.281 1.00 0.00 C ATOM 1014 O CYS A 67 -1.410 8.237 -2.218 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.516 11.287 -1.229 1.00 0.00 C ATOM 1016 SG CYS A 67 -0.101 11.566 -0.139 1.00 0.00 S ATOM 0 H CYS A 67 -3.190 10.890 -2.999 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.377 11.172 -3.048 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.989 12.245 -1.445 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.252 10.679 -0.703 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.501 12.152 0.950 1.00 0.00 H new ATOM 1022 N VAL A 68 0.676 9.077 -2.123 1.00 0.00 N ATOM 1023 CA VAL A 68 1.301 7.786 -1.861 1.00 0.00 C ATOM 1024 C VAL A 68 1.198 7.414 -0.385 1.00 0.00 C ATOM 1025 O VAL A 68 1.894 7.979 0.458 1.00 0.00 O ATOM 1026 CB VAL A 68 2.785 7.786 -2.275 1.00 0.00 C ATOM 1027 CG1 VAL A 68 3.365 6.383 -2.183 1.00 0.00 C ATOM 1028 CG2 VAL A 68 2.947 8.347 -3.680 1.00 0.00 C ATOM 0 H VAL A 68 1.328 9.860 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 68 0.764 7.049 -2.458 1.00 0.00 H new ATOM 0 HB VAL A 68 3.336 8.427 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.414 6.403 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.284 6.022 -1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.813 5.717 -2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.002 8.339 -3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.384 7.734 -4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.572 9.370 -3.709 1.00 0.00 H new ATOM 1038 N VAL A 69 0.323 6.461 -0.081 1.00 0.00 N ATOM 1039 CA VAL A 69 0.126 6.013 1.293 1.00 0.00 C ATOM 1040 C VAL A 69 1.184 4.993 1.702 1.00 0.00 C ATOM 1041 O VAL A 69 1.493 4.847 2.884 1.00 0.00 O ATOM 1042 CB VAL A 69 -1.270 5.390 1.485 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -1.536 5.117 2.957 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -2.344 6.294 0.900 1.00 0.00 C ATOM 0 H VAL A 69 -0.261 5.984 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 69 0.215 6.896 1.926 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.299 4.439 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.527 4.677 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.785 4.426 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.487 6.052 3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.323 5.837 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.317 7.262 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.163 6.432 -0.166 1.00 0.00 H new ATOM 1054 N ALA A 70 1.737 4.287 0.719 1.00 0.00 N ATOM 1055 CA ALA A 70 2.758 3.281 0.985 1.00 0.00 C ATOM 1056 C ALA A 70 3.469 2.864 -0.300 1.00 0.00 C ATOM 1057 O ALA A 70 3.351 3.528 -1.330 1.00 0.00 O ATOM 1058 CB ALA A 70 2.138 2.070 1.666 1.00 0.00 C ATOM 0 H ALA A 70 1.495 4.394 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 70 3.501 3.719 1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.911 1.326 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.684 2.375 2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.374 1.640 1.018 1.00 0.00 H new ATOM 1064 N ARG A 71 4.208 1.761 -0.230 1.00 0.00 N ATOM 1065 CA ARG A 71 4.940 1.255 -1.386 1.00 0.00 C ATOM 1066 C ARG A 71 4.898 -0.269 -1.431 1.00 0.00 C ATOM 1067 O ARG A 71 4.997 -0.933 -0.399 1.00 0.00 O ATOM 1068 CB ARG A 71 6.391 1.736 -1.346 1.00 0.00 C ATOM 1069 CG ARG A 71 6.601 3.093 -1.998 1.00 0.00 C ATOM 1070 CD ARG A 71 6.366 3.034 -3.499 1.00 0.00 C ATOM 1071 NE ARG A 71 7.593 3.270 -4.256 1.00 0.00 N ATOM 1072 CZ ARG A 71 8.169 4.464 -4.380 1.00 0.00 C ATOM 1073 NH1 ARG A 71 7.634 5.530 -3.798 1.00 0.00 N ATOM 1074 NH2 ARG A 71 9.282 4.592 -5.089 1.00 0.00 N ATOM 0 H ARG A 71 4.316 1.200 0.615 1.00 0.00 H new ATOM 0 HA ARG A 71 4.461 1.640 -2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.720 1.786 -0.308 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.022 1.001 -1.845 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.924 3.821 -1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.616 3.439 -1.801 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.959 2.058 -3.764 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.619 3.777 -3.778 1.00 0.00 H new ATOM 0 HE ARG A 71 8.034 2.474 -4.716 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.777 5.437 -3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.080 6.442 -3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.697 3.776 -5.539 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.724 5.506 -5.184 1.00 0.00 H new ATOM 1088 N LEU A 72 4.752 -0.817 -2.633 1.00 0.00 N ATOM 1089 CA LEU A 72 4.696 -2.264 -2.811 1.00 0.00 C ATOM 1090 C LEU A 72 6.068 -2.822 -3.179 1.00 0.00 C ATOM 1091 O LEU A 72 6.663 -2.425 -4.179 1.00 0.00 O ATOM 1092 CB LEU A 72 3.676 -2.627 -3.891 1.00 0.00 C ATOM 1093 CG LEU A 72 2.430 -3.355 -3.384 1.00 0.00 C ATOM 1094 CD1 LEU A 72 2.800 -4.722 -2.830 1.00 0.00 C ATOM 1095 CD2 LEU A 72 1.722 -2.522 -2.326 1.00 0.00 C ATOM 0 H LEU A 72 4.670 -0.282 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 72 4.386 -2.709 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.364 -1.713 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.166 -3.253 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 72 1.748 -3.498 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.901 -5.226 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.264 -5.319 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.500 -4.602 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.838 -3.054 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.397 -2.349 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.424 -1.566 -2.755 1.00 0.00 H new