USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 407 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 15 THR OG1 : rot 170:sc= 0.0203 USER MOD Set 1.2: A 21 GLN : amide:sc= 0.0109 X(o=0.031,f=0) USER MOD Set 2.1: A 10 LYS NZ :NH3+ -145:sc= -0.0893 (180deg=-0.481) USER MOD Set 2.2: A 26 SER OG : rot 130:sc= -1.19 USER MOD Single : A 9 SER OG : rot -23:sc= 0.0633 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.049) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0192 X(o=-0.019,f=-0.049) USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= -0.0997 (180deg=-1.84!) USER MOD Single : A 52 ASN : amide:sc= -0.0276 X(o=-0.028,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.31) USER MOD Single : A 66 CYS SG : rot -77:sc= -5.61! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0531 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 9 -12.318 1.181 3.859 1.00 0.00 N ATOM 79 CA SER A 9 -11.382 0.092 3.642 1.00 0.00 C ATOM 80 C SER A 9 -12.144 -1.205 3.360 1.00 0.00 C ATOM 81 O SER A 9 -13.288 -1.361 3.784 1.00 0.00 O ATOM 82 CB SER A 9 -10.457 -0.088 4.847 1.00 0.00 C ATOM 83 OG SER A 9 -11.186 -0.289 6.055 1.00 0.00 O ATOM 0 HA SER A 9 -10.765 0.339 2.778 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.799 -0.940 4.675 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.820 0.791 4.950 1.00 0.00 H new ATOM 0 HG SER A 9 -12.087 0.084 5.959 1.00 0.00 H new ATOM 89 N LYS A 10 -11.480 -2.101 2.646 1.00 0.00 N ATOM 90 CA LYS A 10 -12.080 -3.379 2.303 1.00 0.00 C ATOM 91 C LYS A 10 -10.987 -4.446 2.223 1.00 0.00 C ATOM 92 O LYS A 10 -9.814 -4.126 2.035 1.00 0.00 O ATOM 93 CB LYS A 10 -12.912 -3.254 1.025 1.00 0.00 C ATOM 94 CG LYS A 10 -12.043 -2.814 -0.155 1.00 0.00 C ATOM 95 CD LYS A 10 -12.888 -2.612 -1.414 1.00 0.00 C ATOM 96 CE LYS A 10 -12.315 -1.492 -2.285 1.00 0.00 C ATOM 97 NZ LYS A 10 -12.459 -0.184 -1.608 1.00 0.00 N ATOM 0 H LYS A 10 -10.532 -1.967 2.295 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.776 -3.694 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.382 -4.211 0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.715 -2.533 1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.528 -1.886 0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.275 -3.564 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.924 -3.540 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.913 -2.371 -1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.263 -1.687 -2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.831 -1.470 -3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.646 0.555 -2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.251 -0.227 -0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.582 0.041 -1.096 1.00 0.00 H new ATOM 111 N PRO A 11 -11.421 -5.726 2.372 1.00 0.00 N ATOM 112 CA PRO A 11 -10.493 -6.843 2.319 1.00 0.00 C ATOM 113 C PRO A 11 -10.055 -7.123 0.880 1.00 0.00 C ATOM 114 O PRO A 11 -10.844 -7.609 0.071 1.00 0.00 O ATOM 115 CB PRO A 11 -11.240 -8.006 2.950 1.00 0.00 C ATOM 116 CG PRO A 11 -12.712 -7.628 2.910 1.00 0.00 C ATOM 117 CD PRO A 11 -12.802 -6.143 2.596 1.00 0.00 C ATOM 0 HA PRO A 11 -9.565 -6.645 2.856 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.059 -8.930 2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.908 -8.174 3.974 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.236 -8.211 2.152 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.189 -7.846 3.866 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.418 -5.961 1.715 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.253 -5.591 3.420 1.00 0.00 H new ATOM 125 N ILE A 12 -8.798 -6.806 0.605 1.00 0.00 N ATOM 126 CA ILE A 12 -8.246 -7.018 -0.722 1.00 0.00 C ATOM 127 C ILE A 12 -7.301 -8.221 -0.691 1.00 0.00 C ATOM 128 O ILE A 12 -7.018 -8.765 0.376 1.00 0.00 O ATOM 129 CB ILE A 12 -7.592 -5.736 -1.241 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.410 -5.328 -0.360 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.621 -4.611 -1.377 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.675 -4.124 -0.952 1.00 0.00 C ATOM 0 H ILE A 12 -8.146 -6.404 1.279 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.039 -7.254 -1.431 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.198 -5.934 -2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.765 -5.085 0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.720 -6.166 -0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.130 -3.711 -1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.400 -4.913 -2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.067 -4.406 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.839 -3.854 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.300 -4.378 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.361 -3.280 -1.029 1.00 0.00 H new ATOM 144 N LYS A 13 -6.839 -8.601 -1.873 1.00 0.00 N ATOM 145 CA LYS A 13 -5.932 -9.730 -1.994 1.00 0.00 C ATOM 146 C LYS A 13 -4.680 -9.292 -2.756 1.00 0.00 C ATOM 147 O LYS A 13 -4.773 -8.798 -3.879 1.00 0.00 O ATOM 148 CB LYS A 13 -6.648 -10.927 -2.623 1.00 0.00 C ATOM 149 CG LYS A 13 -6.832 -12.053 -1.604 1.00 0.00 C ATOM 150 CD LYS A 13 -5.748 -13.120 -1.763 1.00 0.00 C ATOM 151 CE LYS A 13 -5.709 -14.048 -0.548 1.00 0.00 C ATOM 152 NZ LYS A 13 -6.314 -15.358 -0.876 1.00 0.00 N ATOM 0 H LYS A 13 -7.076 -8.147 -2.755 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.606 -10.065 -1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.620 -10.614 -3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.074 -11.292 -3.474 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.799 -11.643 -0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.815 -12.507 -1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.936 -13.703 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.777 -12.641 -1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.678 -14.188 -0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.246 -13.591 0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.279 -15.976 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.304 -15.221 -1.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.785 -15.800 -1.655 1.00 0.00 H new ATOM 166 N VAL A 14 -3.537 -9.489 -2.115 1.00 0.00 N ATOM 167 CA VAL A 14 -2.267 -9.121 -2.718 1.00 0.00 C ATOM 168 C VAL A 14 -1.469 -10.389 -3.029 1.00 0.00 C ATOM 169 O VAL A 14 -1.102 -11.133 -2.121 1.00 0.00 O ATOM 170 CB VAL A 14 -1.517 -8.150 -1.806 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.091 -7.916 -2.309 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.274 -6.827 -1.671 1.00 0.00 C ATOM 0 H VAL A 14 -3.464 -9.899 -1.184 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.428 -8.600 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.454 -8.602 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.421 -7.222 -1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.448 -8.863 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.124 -7.496 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.718 -6.155 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.384 -6.369 -2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.260 -7.014 -1.246 1.00 0.00 H new ATOM 182 N THR A 15 -1.222 -10.595 -4.314 1.00 0.00 N ATOM 183 CA THR A 15 -0.474 -11.760 -4.755 1.00 0.00 C ATOM 184 C THR A 15 1.028 -11.468 -4.735 1.00 0.00 C ATOM 185 O THR A 15 1.485 -10.503 -5.347 1.00 0.00 O ATOM 186 CB THR A 15 -0.996 -12.162 -6.136 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.332 -12.594 -5.889 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.298 -13.408 -6.685 1.00 0.00 C ATOM 0 H THR A 15 -1.527 -9.975 -5.064 1.00 0.00 H new ATOM 0 HA THR A 15 -0.619 -12.602 -4.079 1.00 0.00 H new ATOM 0 HB THR A 15 -0.860 -11.333 -6.831 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.798 -12.719 -6.742 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.705 -13.650 -7.667 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.772 -13.217 -6.773 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.462 -14.246 -6.007 1.00 0.00 H new ATOM 196 N LEU A 16 1.754 -12.318 -4.024 1.00 0.00 N ATOM 197 CA LEU A 16 3.195 -12.163 -3.916 1.00 0.00 C ATOM 198 C LEU A 16 3.827 -12.333 -5.299 1.00 0.00 C ATOM 199 O LEU A 16 3.207 -12.888 -6.205 1.00 0.00 O ATOM 200 CB LEU A 16 3.759 -13.117 -2.861 1.00 0.00 C ATOM 201 CG LEU A 16 3.114 -13.041 -1.476 1.00 0.00 C ATOM 202 CD1 LEU A 16 3.367 -14.325 -0.682 1.00 0.00 C ATOM 203 CD2 LEU A 16 3.584 -11.798 -0.719 1.00 0.00 C ATOM 0 H LEU A 16 1.372 -13.116 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 16 3.445 -11.160 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.659 -14.137 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.826 -12.920 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 16 2.036 -12.950 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.898 -14.245 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.943 -15.174 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.440 -14.472 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.110 -11.769 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.667 -11.833 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.311 -10.905 -1.281 1.00 0.00 H new ATOM 215 N PRO A 17 5.085 -11.832 -5.421 1.00 0.00 N ATOM 216 CA PRO A 17 5.808 -11.923 -6.678 1.00 0.00 C ATOM 217 C PRO A 17 6.314 -13.346 -6.918 1.00 0.00 C ATOM 218 O PRO A 17 6.997 -13.608 -7.908 1.00 0.00 O ATOM 219 CB PRO A 17 6.931 -10.905 -6.561 1.00 0.00 C ATOM 220 CG PRO A 17 7.078 -10.616 -5.076 1.00 0.00 C ATOM 221 CD PRO A 17 5.851 -11.168 -4.370 1.00 0.00 C ATOM 0 HA PRO A 17 5.179 -11.705 -7.541 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.859 -11.298 -6.976 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.694 -9.996 -7.114 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.984 -11.079 -4.685 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.168 -9.544 -4.903 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.129 -11.867 -3.581 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.272 -10.372 -3.901 1.00 0.00 H new ATOM 229 N ASP A 18 5.960 -14.229 -5.996 1.00 0.00 N ATOM 230 CA ASP A 18 6.370 -15.620 -6.095 1.00 0.00 C ATOM 231 C ASP A 18 5.196 -16.458 -6.603 1.00 0.00 C ATOM 232 O ASP A 18 5.380 -17.597 -7.031 1.00 0.00 O ATOM 233 CB ASP A 18 6.788 -16.169 -4.729 1.00 0.00 C ATOM 234 CG ASP A 18 8.258 -15.951 -4.367 1.00 0.00 C ATOM 235 OD1 ASP A 18 9.107 -16.565 -5.048 1.00 0.00 O ATOM 236 OD2 ASP A 18 8.499 -15.176 -3.416 1.00 0.00 O ATOM 0 H ASP A 18 5.394 -14.009 -5.177 1.00 0.00 H new ATOM 0 HA ASP A 18 7.216 -15.675 -6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.168 -15.705 -3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.578 -17.238 -4.704 1.00 0.00 H new ATOM 241 N GLY A 19 4.014 -15.863 -6.538 1.00 0.00 N ATOM 242 CA GLY A 19 2.809 -16.542 -6.987 1.00 0.00 C ATOM 243 C GLY A 19 1.810 -16.700 -5.839 1.00 0.00 C ATOM 244 O GLY A 19 0.600 -16.679 -6.057 1.00 0.00 O ATOM 0 H GLY A 19 3.864 -14.919 -6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.350 -15.977 -7.799 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.067 -17.523 -7.387 1.00 0.00 H new ATOM 248 N LYS A 20 2.354 -16.855 -4.641 1.00 0.00 N ATOM 249 CA LYS A 20 1.525 -17.018 -3.458 1.00 0.00 C ATOM 250 C LYS A 20 0.567 -15.830 -3.345 1.00 0.00 C ATOM 251 O LYS A 20 0.769 -14.801 -3.988 1.00 0.00 O ATOM 252 CB LYS A 20 2.396 -17.225 -2.218 1.00 0.00 C ATOM 253 CG LYS A 20 2.439 -18.702 -1.819 1.00 0.00 C ATOM 254 CD LYS A 20 1.174 -19.101 -1.057 1.00 0.00 C ATOM 255 CE LYS A 20 1.411 -19.072 0.454 1.00 0.00 C ATOM 256 NZ LYS A 20 2.205 -20.248 0.876 1.00 0.00 N ATOM 0 H LYS A 20 3.358 -16.871 -4.464 1.00 0.00 H new ATOM 0 HA LYS A 20 0.913 -17.916 -3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.407 -16.868 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.005 -16.632 -1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.541 -19.320 -2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.316 -18.890 -1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.361 -18.422 -1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.863 -20.100 -1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.933 -18.155 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.455 -19.064 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.158 -20.346 1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.820 -21.105 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.195 -20.121 0.585 1.00 0.00 H new ATOM 270 N GLN A 21 -0.456 -16.012 -2.523 1.00 0.00 N ATOM 271 CA GLN A 21 -1.445 -14.968 -2.317 1.00 0.00 C ATOM 272 C GLN A 21 -1.584 -14.654 -0.826 1.00 0.00 C ATOM 273 O GLN A 21 -1.380 -15.527 0.017 1.00 0.00 O ATOM 274 CB GLN A 21 -2.794 -15.364 -2.922 1.00 0.00 C ATOM 275 CG GLN A 21 -2.627 -15.849 -4.364 1.00 0.00 C ATOM 276 CD GLN A 21 -3.986 -16.048 -5.036 1.00 0.00 C ATOM 277 OE1 GLN A 21 -4.784 -16.886 -4.647 1.00 0.00 O ATOM 278 NE2 GLN A 21 -4.206 -15.233 -6.064 1.00 0.00 N ATOM 0 H GLN A 21 -0.621 -16.867 -1.992 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.105 -14.067 -2.827 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.250 -16.151 -2.320 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.472 -14.511 -2.898 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.040 -15.125 -4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.072 -16.787 -4.374 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.496 -14.554 -6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.085 -15.287 -6.579 1.00 0.00 H new ATOM 287 N VAL A 22 -1.931 -13.407 -0.546 1.00 0.00 N ATOM 288 CA VAL A 22 -2.100 -12.967 0.829 1.00 0.00 C ATOM 289 C VAL A 22 -3.329 -12.061 0.923 1.00 0.00 C ATOM 290 O VAL A 22 -3.816 -11.563 -0.091 1.00 0.00 O ATOM 291 CB VAL A 22 -0.819 -12.291 1.323 1.00 0.00 C ATOM 292 CG1 VAL A 22 -0.863 -12.074 2.837 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.417 -13.097 0.920 1.00 0.00 C ATOM 0 H VAL A 22 -2.100 -12.687 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.275 -13.820 1.484 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.751 -11.313 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.059 -11.592 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.713 -11.439 3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.967 -13.036 3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.313 -12.595 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.359 -14.095 1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.461 -13.177 -0.166 1.00 0.00 H new ATOM 303 N ASP A 23 -3.795 -11.875 2.149 1.00 0.00 N ATOM 304 CA ASP A 23 -4.957 -11.037 2.388 1.00 0.00 C ATOM 305 C ASP A 23 -4.498 -9.662 2.878 1.00 0.00 C ATOM 306 O ASP A 23 -3.669 -9.567 3.782 1.00 0.00 O ATOM 307 CB ASP A 23 -5.862 -11.644 3.463 1.00 0.00 C ATOM 308 CG ASP A 23 -5.447 -11.341 4.904 1.00 0.00 C ATOM 309 OD1 ASP A 23 -4.658 -12.144 5.449 1.00 0.00 O ATOM 310 OD2 ASP A 23 -5.927 -10.313 5.429 1.00 0.00 O ATOM 0 H ASP A 23 -3.389 -12.290 2.987 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.511 -10.955 1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.878 -11.280 3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.887 -12.725 3.328 1.00 0.00 H new ATOM 315 N ALA A 24 -5.057 -8.632 2.260 1.00 0.00 N ATOM 316 CA ALA A 24 -4.715 -7.267 2.622 1.00 0.00 C ATOM 317 C ALA A 24 -5.992 -6.425 2.682 1.00 0.00 C ATOM 318 O ALA A 24 -7.082 -6.925 2.410 1.00 0.00 O ATOM 319 CB ALA A 24 -3.698 -6.714 1.623 1.00 0.00 C ATOM 0 H ALA A 24 -5.744 -8.715 1.511 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.253 -7.235 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.441 -5.690 1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.799 -7.330 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.128 -6.727 0.621 1.00 0.00 H new ATOM 325 N GLU A 25 -5.813 -5.162 3.040 1.00 0.00 N ATOM 326 CA GLU A 25 -6.936 -4.247 3.140 1.00 0.00 C ATOM 327 C GLU A 25 -6.574 -2.893 2.524 1.00 0.00 C ATOM 328 O GLU A 25 -5.575 -2.284 2.902 1.00 0.00 O ATOM 329 CB GLU A 25 -7.386 -4.085 4.593 1.00 0.00 C ATOM 330 CG GLU A 25 -8.039 -5.368 5.110 1.00 0.00 C ATOM 331 CD GLU A 25 -9.088 -5.057 6.181 1.00 0.00 C ATOM 332 OE1 GLU A 25 -10.179 -4.591 5.787 1.00 0.00 O ATOM 333 OE2 GLU A 25 -8.774 -5.291 7.368 1.00 0.00 O ATOM 0 H GLU A 25 -4.907 -4.751 3.264 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.772 -4.668 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.529 -3.832 5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.091 -3.257 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.506 -5.901 4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.276 -6.027 5.524 1.00 0.00 H new ATOM 340 N SER A 26 -7.406 -2.463 1.587 1.00 0.00 N ATOM 341 CA SER A 26 -7.186 -1.194 0.916 1.00 0.00 C ATOM 342 C SER A 26 -7.139 -0.060 1.943 1.00 0.00 C ATOM 343 O SER A 26 -8.001 0.027 2.816 1.00 0.00 O ATOM 344 CB SER A 26 -8.276 -0.923 -0.123 1.00 0.00 C ATOM 345 OG SER A 26 -9.579 -0.940 0.453 1.00 0.00 O ATOM 0 H SER A 26 -8.234 -2.971 1.277 1.00 0.00 H new ATOM 0 HA SER A 26 -6.230 -1.245 0.395 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.099 0.046 -0.590 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.219 -1.673 -0.912 1.00 0.00 H new ATOM 0 HG SER A 26 -10.066 -0.133 0.185 1.00 0.00 H new ATOM 351 N TRP A 27 -6.124 0.780 1.804 1.00 0.00 N ATOM 352 CA TRP A 27 -5.954 1.904 2.709 1.00 0.00 C ATOM 353 C TRP A 27 -5.771 1.349 4.123 1.00 0.00 C ATOM 354 O TRP A 27 -6.151 1.993 5.100 1.00 0.00 O ATOM 355 CB TRP A 27 -7.126 2.881 2.597 1.00 0.00 C ATOM 356 CG TRP A 27 -7.616 3.103 1.164 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.682 2.557 0.563 1.00 0.00 C ATOM 358 CD2 TRP A 27 -7.011 3.958 0.172 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.807 2.996 -0.740 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.759 3.875 -0.985 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.869 4.775 0.248 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -7.448 4.584 -2.152 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -5.572 5.476 -0.926 1.00 0.00 C ATOM 364 CH2 TRP A 27 -6.315 5.404 -2.099 1.00 0.00 C ATOM 0 H TRP A 27 -5.411 0.705 1.078 1.00 0.00 H new ATOM 0 HA TRP A 27 -5.068 2.481 2.444 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.954 2.509 3.200 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.828 3.840 3.021 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.358 1.861 1.038 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.535 2.725 -1.401 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.268 4.855 1.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -8.050 4.502 -3.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.704 6.119 -0.921 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.019 5.978 -2.965 1.00 0.00 H new ATOM 375 N LYS A 28 -5.190 0.160 4.188 1.00 0.00 N ATOM 376 CA LYS A 28 -4.953 -0.488 5.466 1.00 0.00 C ATOM 377 C LYS A 28 -3.549 -1.097 5.471 1.00 0.00 C ATOM 378 O LYS A 28 -2.631 -0.545 6.075 1.00 0.00 O ATOM 379 CB LYS A 28 -6.062 -1.497 5.769 1.00 0.00 C ATOM 380 CG LYS A 28 -7.134 -0.879 6.670 1.00 0.00 C ATOM 381 CD LYS A 28 -7.790 -1.944 7.551 1.00 0.00 C ATOM 382 CE LYS A 28 -8.549 -1.302 8.714 1.00 0.00 C ATOM 383 NZ LYS A 28 -7.733 -1.336 9.948 1.00 0.00 N ATOM 0 H LYS A 28 -4.876 -0.371 3.376 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.988 0.241 6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.516 -1.835 4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.637 -2.376 6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.687 -0.108 7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.892 -0.391 6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.475 -2.545 6.953 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.028 -2.620 7.938 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.801 -0.271 8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.489 -1.829 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.263 -0.896 10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.514 -2.323 10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.848 -0.813 9.793 1.00 0.00 H new ATOM 397 N THR A 29 -3.427 -2.228 4.792 1.00 0.00 N ATOM 398 CA THR A 29 -2.151 -2.919 4.711 1.00 0.00 C ATOM 399 C THR A 29 -1.227 -2.216 3.714 1.00 0.00 C ATOM 400 O THR A 29 -1.651 -1.305 3.005 1.00 0.00 O ATOM 401 CB THR A 29 -2.427 -4.381 4.356 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.172 -4.873 5.467 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.156 -5.233 4.354 1.00 0.00 C ATOM 0 H THR A 29 -4.191 -2.683 4.293 1.00 0.00 H new ATOM 0 HA THR A 29 -1.626 -2.895 5.666 1.00 0.00 H new ATOM 0 HB THR A 29 -2.901 -4.433 3.376 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.395 -5.816 5.319 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.408 -6.262 4.096 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.453 -4.837 3.621 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.700 -5.208 5.344 1.00 0.00 H new ATOM 411 N THR A 30 0.019 -2.666 3.693 1.00 0.00 N ATOM 412 CA THR A 30 1.007 -2.091 2.796 1.00 0.00 C ATOM 413 C THR A 30 1.825 -3.197 2.125 1.00 0.00 C ATOM 414 O THR A 30 1.775 -4.352 2.544 1.00 0.00 O ATOM 415 CB THR A 30 1.859 -1.107 3.598 1.00 0.00 C ATOM 416 OG1 THR A 30 1.909 -1.675 4.904 1.00 0.00 O ATOM 417 CG2 THR A 30 1.161 0.239 3.805 1.00 0.00 C ATOM 0 H THR A 30 0.367 -3.422 4.283 1.00 0.00 H new ATOM 0 HA THR A 30 0.531 -1.542 1.983 1.00 0.00 H new ATOM 0 HB THR A 30 2.808 -0.949 3.086 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.445 -1.101 5.490 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.809 0.900 4.380 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.949 0.691 2.836 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.227 0.085 4.346 1.00 0.00 H new ATOM 425 N PRO A 31 2.578 -2.793 1.067 1.00 0.00 N ATOM 426 CA PRO A 31 3.406 -3.736 0.335 1.00 0.00 C ATOM 427 C PRO A 31 4.659 -4.101 1.133 1.00 0.00 C ATOM 428 O PRO A 31 5.290 -5.124 0.872 1.00 0.00 O ATOM 429 CB PRO A 31 3.721 -3.043 -0.981 1.00 0.00 C ATOM 430 CG PRO A 31 3.451 -1.565 -0.750 1.00 0.00 C ATOM 431 CD PRO A 31 2.662 -1.433 0.543 1.00 0.00 C ATOM 0 HA PRO A 31 2.905 -4.688 0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.758 -3.210 -1.271 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.098 -3.432 -1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.388 -1.011 -0.684 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.890 -1.144 -1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.163 -0.768 1.246 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.671 -1.017 0.361 1.00 0.00 H new ATOM 439 N TYR A 32 4.983 -3.243 2.090 1.00 0.00 N ATOM 440 CA TYR A 32 6.150 -3.462 2.928 1.00 0.00 C ATOM 441 C TYR A 32 5.841 -4.457 4.048 1.00 0.00 C ATOM 442 O TYR A 32 6.713 -5.217 4.467 1.00 0.00 O ATOM 443 CB TYR A 32 6.487 -2.104 3.546 1.00 0.00 C ATOM 444 CG TYR A 32 7.936 -1.978 4.019 1.00 0.00 C ATOM 445 CD1 TYR A 32 8.972 -2.206 3.137 1.00 0.00 C ATOM 446 CD2 TYR A 32 8.207 -1.636 5.328 1.00 0.00 C ATOM 447 CE1 TYR A 32 10.337 -2.087 3.582 1.00 0.00 C ATOM 448 CE2 TYR A 32 9.571 -1.517 5.774 1.00 0.00 C ATOM 449 CZ TYR A 32 10.569 -1.748 4.879 1.00 0.00 C ATOM 450 OH TYR A 32 11.857 -1.636 5.299 1.00 0.00 O ATOM 0 H TYR A 32 4.458 -2.395 2.303 1.00 0.00 H new ATOM 0 HA TYR A 32 6.973 -3.869 2.341 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.286 -1.323 2.813 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.823 -1.926 4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.760 -2.474 2.113 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.396 -1.457 6.018 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.157 -2.263 2.902 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.797 -1.250 6.796 1.00 0.00 H new ATOM 0 HH TYR A 32 11.872 -1.387 6.247 1.00 0.00 H new ATOM 460 N GLN A 33 4.597 -4.420 4.503 1.00 0.00 N ATOM 461 CA GLN A 33 4.162 -5.308 5.567 1.00 0.00 C ATOM 462 C GLN A 33 3.988 -6.731 5.032 1.00 0.00 C ATOM 463 O GLN A 33 4.485 -7.687 5.627 1.00 0.00 O ATOM 464 CB GLN A 33 2.869 -4.802 6.209 1.00 0.00 C ATOM 465 CG GLN A 33 3.169 -3.880 7.392 1.00 0.00 C ATOM 466 CD GLN A 33 1.976 -3.807 8.348 1.00 0.00 C ATOM 467 OE1 GLN A 33 1.541 -4.796 8.915 1.00 0.00 O ATOM 468 NE2 GLN A 33 1.472 -2.585 8.493 1.00 0.00 N ATOM 0 H GLN A 33 3.876 -3.788 4.154 1.00 0.00 H new ATOM 0 HA GLN A 33 4.931 -5.322 6.339 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.276 -4.267 5.468 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.270 -5.648 6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.046 -4.243 7.927 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.409 -2.881 7.027 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.884 -1.800 7.989 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.673 -2.433 9.109 1.00 0.00 H new ATOM 477 N ILE A 34 3.281 -6.828 3.916 1.00 0.00 N ATOM 478 CA ILE A 34 3.035 -8.118 3.295 1.00 0.00 C ATOM 479 C ILE A 34 4.326 -8.939 3.307 1.00 0.00 C ATOM 480 O ILE A 34 4.314 -10.116 3.665 1.00 0.00 O ATOM 481 CB ILE A 34 2.436 -7.935 1.899 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.056 -7.281 1.976 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.399 -9.263 1.140 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.056 -8.000 1.068 1.00 0.00 C ATOM 0 H ILE A 34 2.870 -6.034 3.425 1.00 0.00 H new ATOM 0 HA ILE A 34 2.294 -8.680 3.864 1.00 0.00 H new ATOM 0 HB ILE A 34 3.081 -7.260 1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.697 -7.301 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.129 -6.233 1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.969 -9.105 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.412 -9.652 1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.790 -9.980 1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.917 -7.514 1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.405 -7.957 0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.034 -9.041 1.378 1.00 0.00 H new ATOM 663 N ILE A 48 11.488 -0.897 -4.163 1.00 0.00 N ATOM 664 CA ILE A 48 10.178 -0.336 -4.447 1.00 0.00 C ATOM 665 C ILE A 48 9.212 -1.465 -4.809 1.00 0.00 C ATOM 666 O ILE A 48 9.538 -2.329 -5.621 1.00 0.00 O ATOM 667 CB ILE A 48 10.282 0.752 -5.518 1.00 0.00 C ATOM 668 CG1 ILE A 48 10.770 2.071 -4.915 1.00 0.00 C ATOM 669 CG2 ILE A 48 8.955 0.918 -6.261 1.00 0.00 C ATOM 670 CD1 ILE A 48 9.710 2.677 -3.992 1.00 0.00 C ATOM 0 HA ILE A 48 9.775 0.157 -3.563 1.00 0.00 H new ATOM 0 HB ILE A 48 11.025 0.439 -6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.690 1.901 -4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.007 2.774 -5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.056 1.697 -7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.688 -0.022 -6.743 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.174 1.198 -5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.082 3.614 -3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.799 2.868 -4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.493 1.981 -3.181 1.00 0.00 H new ATOM 682 N ALA A 49 8.042 -1.422 -4.188 1.00 0.00 N ATOM 683 CA ALA A 49 7.026 -2.431 -4.435 1.00 0.00 C ATOM 684 C ALA A 49 6.120 -1.967 -5.577 1.00 0.00 C ATOM 685 O ALA A 49 5.744 -0.798 -5.640 1.00 0.00 O ATOM 686 CB ALA A 49 6.248 -2.698 -3.145 1.00 0.00 C ATOM 0 H ALA A 49 7.775 -0.704 -3.514 1.00 0.00 H new ATOM 0 HA ALA A 49 7.485 -3.372 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.486 -3.455 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.932 -3.053 -2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.771 -1.777 -2.811 1.00 0.00 H new ATOM 692 N LYS A 50 5.795 -2.908 -6.452 1.00 0.00 N ATOM 693 CA LYS A 50 4.940 -2.611 -7.588 1.00 0.00 C ATOM 694 C LYS A 50 3.522 -3.106 -7.297 1.00 0.00 C ATOM 695 O LYS A 50 3.320 -4.281 -6.996 1.00 0.00 O ATOM 696 CB LYS A 50 5.539 -3.184 -8.874 1.00 0.00 C ATOM 697 CG LYS A 50 6.588 -2.236 -9.460 1.00 0.00 C ATOM 698 CD LYS A 50 7.066 -2.726 -10.828 1.00 0.00 C ATOM 699 CE LYS A 50 7.681 -1.581 -11.636 1.00 0.00 C ATOM 700 NZ LYS A 50 9.115 -1.840 -11.894 1.00 0.00 N ATOM 0 H LYS A 50 6.109 -3.877 -6.397 1.00 0.00 H new ATOM 0 HA LYS A 50 4.876 -1.534 -7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.994 -4.153 -8.667 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.748 -3.353 -9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.166 -1.235 -9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.436 -2.161 -8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.801 -3.520 -10.697 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.228 -3.155 -11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.150 -1.469 -12.581 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.567 -0.643 -11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.651 -0.955 -11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.470 -2.539 -11.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.233 -2.209 -12.859 1.00 0.00 H new ATOM 714 N VAL A 51 2.576 -2.184 -7.397 1.00 0.00 N ATOM 715 CA VAL A 51 1.182 -2.512 -7.148 1.00 0.00 C ATOM 716 C VAL A 51 0.409 -2.470 -8.468 1.00 0.00 C ATOM 717 O VAL A 51 0.022 -1.399 -8.931 1.00 0.00 O ATOM 718 CB VAL A 51 0.605 -1.572 -6.088 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.920 -1.688 -6.024 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.233 -1.839 -4.718 1.00 0.00 C ATOM 0 H VAL A 51 2.747 -1.210 -7.647 1.00 0.00 H new ATOM 0 HA VAL A 51 1.093 -3.523 -6.751 1.00 0.00 H new ATOM 0 HB VAL A 51 0.852 -0.550 -6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.305 -1.009 -5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.346 -1.426 -6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.197 -2.712 -5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.805 -1.157 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.031 -2.868 -4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.310 -1.682 -4.775 1.00 0.00 H new ATOM 730 N ASN A 52 0.209 -3.650 -9.037 1.00 0.00 N ATOM 731 CA ASN A 52 -0.511 -3.762 -10.294 1.00 0.00 C ATOM 732 C ASN A 52 0.424 -3.389 -11.446 1.00 0.00 C ATOM 733 O ASN A 52 -0.008 -2.799 -12.435 1.00 0.00 O ATOM 734 CB ASN A 52 -1.708 -2.811 -10.330 1.00 0.00 C ATOM 735 CG ASN A 52 -2.953 -3.517 -10.874 1.00 0.00 C ATOM 736 OD1 ASN A 52 -2.964 -4.054 -11.969 1.00 0.00 O ATOM 737 ND2 ASN A 52 -3.996 -3.484 -10.050 1.00 0.00 N ATOM 0 H ASN A 52 0.533 -4.537 -8.651 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.864 -4.789 -10.390 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.908 -2.434 -9.327 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.473 -1.948 -10.953 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.874 -3.926 -10.321 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.918 -3.017 -9.147 1.00 0.00 H new ATOM 744 N ASN A 53 1.688 -3.749 -11.281 1.00 0.00 N ATOM 745 CA ASN A 53 2.688 -3.460 -12.295 1.00 0.00 C ATOM 746 C ASN A 53 2.973 -1.956 -12.309 1.00 0.00 C ATOM 747 O ASN A 53 3.414 -1.414 -13.321 1.00 0.00 O ATOM 748 CB ASN A 53 2.193 -3.860 -13.686 1.00 0.00 C ATOM 749 CG ASN A 53 1.599 -5.270 -13.672 1.00 0.00 C ATOM 750 OD1 ASN A 53 2.138 -6.192 -13.083 1.00 0.00 O ATOM 751 ND2 ASN A 53 0.463 -5.385 -14.352 1.00 0.00 N ATOM 0 H ASN A 53 2.043 -4.239 -10.460 1.00 0.00 H new ATOM 0 HA ASN A 53 3.587 -4.028 -12.055 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.441 -3.148 -14.027 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.019 -3.816 -14.396 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.012 -6.286 -14.403 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.066 -4.572 -14.823 1.00 0.00 H new ATOM 758 N VAL A 54 2.711 -1.326 -11.173 1.00 0.00 N ATOM 759 CA VAL A 54 2.934 0.104 -11.042 1.00 0.00 C ATOM 760 C VAL A 54 3.722 0.377 -9.759 1.00 0.00 C ATOM 761 O VAL A 54 3.453 -0.226 -8.721 1.00 0.00 O ATOM 762 CB VAL A 54 1.599 0.849 -11.094 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.529 0.008 -11.795 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.144 1.257 -9.692 1.00 0.00 C ATOM 0 H VAL A 54 2.347 -1.779 -10.335 1.00 0.00 H new ATOM 0 HA VAL A 54 3.530 0.476 -11.875 1.00 0.00 H new ATOM 0 HB VAL A 54 1.745 1.759 -11.676 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.410 0.560 -11.819 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.848 -0.210 -12.814 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.387 -0.926 -11.252 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.193 1.785 -9.757 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.023 0.366 -9.075 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.892 1.911 -9.243 1.00 0.00 H new ATOM 774 N VAL A 55 4.679 1.286 -9.873 1.00 0.00 N ATOM 775 CA VAL A 55 5.507 1.647 -8.735 1.00 0.00 C ATOM 776 C VAL A 55 4.610 2.018 -7.553 1.00 0.00 C ATOM 777 O VAL A 55 3.684 2.816 -7.698 1.00 0.00 O ATOM 778 CB VAL A 55 6.475 2.766 -9.126 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.114 3.396 -7.886 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.543 2.255 -10.094 1.00 0.00 C ATOM 0 H VAL A 55 4.899 1.783 -10.736 1.00 0.00 H new ATOM 0 HA VAL A 55 6.119 0.800 -8.424 1.00 0.00 H new ATOM 0 HB VAL A 55 5.903 3.540 -9.638 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.797 4.188 -8.192 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.335 3.814 -7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.665 2.635 -7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.217 3.071 -10.355 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.110 1.453 -9.620 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.064 1.876 -10.997 1.00 0.00 H new ATOM 790 N TRP A 56 4.914 1.422 -6.410 1.00 0.00 N ATOM 791 CA TRP A 56 4.146 1.680 -5.204 1.00 0.00 C ATOM 792 C TRP A 56 5.124 1.763 -4.029 1.00 0.00 C ATOM 793 O TRP A 56 5.903 0.840 -3.799 1.00 0.00 O ATOM 794 CB TRP A 56 3.063 0.618 -5.006 1.00 0.00 C ATOM 795 CG TRP A 56 1.797 1.140 -4.323 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.534 1.202 -3.010 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.626 1.674 -4.975 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.283 1.734 -2.770 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.286 2.031 -4.003 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.346 1.850 -6.342 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.538 2.586 -4.293 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.909 2.406 -6.615 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.838 2.770 -5.648 1.00 0.00 C ATOM 0 H TRP A 56 5.682 0.761 -6.293 1.00 0.00 H new ATOM 0 HA TRP A 56 3.613 2.628 -5.281 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.794 0.202 -5.977 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.474 -0.199 -4.412 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.215 0.877 -2.237 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.145 1.882 -1.856 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.044 1.578 -7.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.235 2.858 -3.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.174 2.563 -7.650 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.788 3.193 -5.940 1.00 0.00 H new ATOM 814 N ASP A 57 5.050 2.879 -3.318 1.00 0.00 N ATOM 815 CA ASP A 57 5.919 3.094 -2.173 1.00 0.00 C ATOM 816 C ASP A 57 5.606 2.052 -1.097 1.00 0.00 C ATOM 817 O ASP A 57 4.455 1.650 -0.934 1.00 0.00 O ATOM 818 CB ASP A 57 5.697 4.481 -1.567 1.00 0.00 C ATOM 819 CG ASP A 57 6.365 5.632 -2.323 1.00 0.00 C ATOM 820 OD1 ASP A 57 6.615 5.446 -3.533 1.00 0.00 O ATOM 821 OD2 ASP A 57 6.611 6.671 -1.672 1.00 0.00 O ATOM 0 H ASP A 57 4.403 3.643 -3.512 1.00 0.00 H new ATOM 0 HA ASP A 57 6.951 3.009 -2.512 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.625 4.672 -1.518 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.067 4.476 -0.542 1.00 0.00 H new ATOM 826 N LEU A 58 6.651 1.646 -0.391 1.00 0.00 N ATOM 827 CA LEU A 58 6.502 0.659 0.665 1.00 0.00 C ATOM 828 C LEU A 58 5.790 1.298 1.858 1.00 0.00 C ATOM 829 O LEU A 58 5.170 0.603 2.662 1.00 0.00 O ATOM 830 CB LEU A 58 7.857 0.041 1.016 1.00 0.00 C ATOM 831 CG LEU A 58 8.800 -0.220 -0.161 1.00 0.00 C ATOM 832 CD1 LEU A 58 10.190 0.358 0.113 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.856 -1.711 -0.499 1.00 0.00 C ATOM 0 H LEU A 58 7.604 1.982 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 58 5.878 -0.169 0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.363 0.700 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.681 -0.903 1.531 1.00 0.00 H new ATOM 0 HG LEU A 58 8.404 0.294 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.841 0.159 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.113 1.434 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.608 -0.107 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.533 -1.869 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.216 -2.267 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.859 -2.061 -0.766 1.00 0.00 H new ATOM 845 N ASP A 59 5.902 2.616 1.937 1.00 0.00 N ATOM 846 CA ASP A 59 5.277 3.357 3.019 1.00 0.00 C ATOM 847 C ASP A 59 3.922 3.891 2.549 1.00 0.00 C ATOM 848 O ASP A 59 3.517 4.988 2.930 1.00 0.00 O ATOM 849 CB ASP A 59 6.136 4.552 3.437 1.00 0.00 C ATOM 850 CG ASP A 59 7.341 4.206 4.315 1.00 0.00 C ATOM 851 OD1 ASP A 59 7.608 2.993 4.458 1.00 0.00 O ATOM 852 OD2 ASP A 59 7.967 5.161 4.822 1.00 0.00 O ATOM 0 H ASP A 59 6.417 3.190 1.269 1.00 0.00 H new ATOM 0 HA ASP A 59 5.161 2.682 3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.493 5.056 2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.507 5.263 3.973 1.00 0.00 H new ATOM 857 N ARG A 60 3.258 3.090 1.729 1.00 0.00 N ATOM 858 CA ARG A 60 1.957 3.468 1.203 1.00 0.00 C ATOM 859 C ARG A 60 1.038 2.247 1.133 1.00 0.00 C ATOM 860 O ARG A 60 1.444 1.186 0.661 1.00 0.00 O ATOM 861 CB ARG A 60 2.085 4.084 -0.192 1.00 0.00 C ATOM 862 CG ARG A 60 0.725 4.562 -0.706 1.00 0.00 C ATOM 863 CD ARG A 60 0.859 5.213 -2.084 1.00 0.00 C ATOM 864 NE ARG A 60 0.193 6.535 -2.086 1.00 0.00 N ATOM 865 CZ ARG A 60 0.427 7.492 -2.994 1.00 0.00 C ATOM 866 NH1 ARG A 60 1.312 7.281 -3.978 1.00 0.00 N ATOM 867 NH2 ARG A 60 -0.223 8.661 -2.917 1.00 0.00 N ATOM 0 H ARG A 60 3.597 2.180 1.416 1.00 0.00 H new ATOM 0 HA ARG A 60 1.529 4.210 1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.781 4.922 -0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.501 3.349 -0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.037 3.719 -0.763 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.296 5.276 -0.002 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.912 5.327 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.413 4.571 -2.844 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.486 6.729 -1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.808 6.391 -4.036 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.490 8.010 -4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.896 8.822 -2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.045 9.390 -3.608 1.00 0.00 H new ATOM 881 N PRO A 61 -0.216 2.443 1.620 1.00 0.00 N ATOM 882 CA PRO A 61 -1.197 1.371 1.617 1.00 0.00 C ATOM 883 C PRO A 61 -1.745 1.133 0.208 1.00 0.00 C ATOM 884 O PRO A 61 -1.872 2.070 -0.578 1.00 0.00 O ATOM 885 CB PRO A 61 -2.266 1.812 2.603 1.00 0.00 C ATOM 886 CG PRO A 61 -2.084 3.312 2.771 1.00 0.00 C ATOM 887 CD PRO A 61 -0.733 3.687 2.186 1.00 0.00 C ATOM 0 HA PRO A 61 -0.772 0.412 1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.263 1.579 2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.155 1.296 3.557 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.883 3.852 2.263 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.133 3.587 3.825 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.832 4.458 1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.065 4.081 2.952 1.00 0.00 H new ATOM 895 N LEU A 62 -2.054 -0.125 -0.067 1.00 0.00 N ATOM 896 CA LEU A 62 -2.585 -0.498 -1.367 1.00 0.00 C ATOM 897 C LEU A 62 -3.921 0.214 -1.591 1.00 0.00 C ATOM 898 O LEU A 62 -4.384 0.958 -0.728 1.00 0.00 O ATOM 899 CB LEU A 62 -2.671 -2.021 -1.494 1.00 0.00 C ATOM 900 CG LEU A 62 -1.435 -2.802 -1.045 1.00 0.00 C ATOM 901 CD1 LEU A 62 -0.153 -2.023 -1.349 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.535 -3.185 0.433 1.00 0.00 C ATOM 0 H LEU A 62 -1.947 -0.899 0.588 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.913 -0.172 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.526 -2.367 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.874 -2.268 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.392 -3.729 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.711 -2.601 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.082 -1.844 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.173 -1.069 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.644 -3.739 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.616 -2.282 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.417 -3.807 0.589 1.00 0.00 H new ATOM 914 N GLU A 63 -4.502 -0.039 -2.754 1.00 0.00 N ATOM 915 CA GLU A 63 -5.775 0.568 -3.102 1.00 0.00 C ATOM 916 C GLU A 63 -6.863 -0.503 -3.210 1.00 0.00 C ATOM 917 O GLU A 63 -8.007 -0.272 -2.821 1.00 0.00 O ATOM 918 CB GLU A 63 -5.664 1.369 -4.401 1.00 0.00 C ATOM 919 CG GLU A 63 -5.317 2.832 -4.115 1.00 0.00 C ATOM 920 CD GLU A 63 -5.630 3.716 -5.324 1.00 0.00 C ATOM 921 OE1 GLU A 63 -6.787 3.651 -5.791 1.00 0.00 O ATOM 922 OE2 GLU A 63 -4.704 4.436 -5.755 1.00 0.00 O ATOM 0 H GLU A 63 -4.115 -0.656 -3.468 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.053 1.262 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.899 0.928 -5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.606 1.315 -4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.880 3.181 -3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.260 2.916 -3.862 1.00 0.00 H new ATOM 929 N GLU A 64 -6.467 -1.651 -3.740 1.00 0.00 N ATOM 930 CA GLU A 64 -7.394 -2.758 -3.905 1.00 0.00 C ATOM 931 C GLU A 64 -6.667 -3.978 -4.473 1.00 0.00 C ATOM 932 O GLU A 64 -5.453 -3.947 -4.669 1.00 0.00 O ATOM 933 CB GLU A 64 -8.573 -2.359 -4.794 1.00 0.00 C ATOM 934 CG GLU A 64 -8.105 -2.041 -6.215 1.00 0.00 C ATOM 935 CD GLU A 64 -9.132 -1.177 -6.950 1.00 0.00 C ATOM 936 OE1 GLU A 64 -9.525 -0.144 -6.367 1.00 0.00 O ATOM 937 OE2 GLU A 64 -9.500 -1.569 -8.079 1.00 0.00 O ATOM 0 H GLU A 64 -5.517 -1.839 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.794 -3.021 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.303 -3.168 -4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.075 -1.490 -4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.147 -1.522 -6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.944 -2.968 -6.765 1.00 0.00 H new ATOM 944 N ASP A 65 -7.441 -5.025 -4.721 1.00 0.00 N ATOM 945 CA ASP A 65 -6.886 -6.254 -5.263 1.00 0.00 C ATOM 946 C ASP A 65 -5.861 -5.911 -6.346 1.00 0.00 C ATOM 947 O ASP A 65 -6.219 -5.394 -7.403 1.00 0.00 O ATOM 948 CB ASP A 65 -7.977 -7.117 -5.901 1.00 0.00 C ATOM 949 CG ASP A 65 -9.273 -7.220 -5.094 1.00 0.00 C ATOM 950 OD1 ASP A 65 -9.191 -7.719 -3.951 1.00 0.00 O ATOM 951 OD2 ASP A 65 -10.316 -6.799 -5.639 1.00 0.00 O ATOM 0 H ASP A 65 -8.447 -5.047 -4.557 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.423 -6.805 -4.444 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.211 -6.712 -6.886 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.582 -8.121 -6.055 1.00 0.00 H new ATOM 956 N CYS A 66 -4.606 -6.214 -6.046 1.00 0.00 N ATOM 957 CA CYS A 66 -3.527 -5.944 -6.981 1.00 0.00 C ATOM 958 C CYS A 66 -2.410 -6.959 -6.731 1.00 0.00 C ATOM 959 O CYS A 66 -2.563 -7.867 -5.914 1.00 0.00 O ATOM 960 CB CYS A 66 -3.025 -4.503 -6.865 1.00 0.00 C ATOM 961 SG CYS A 66 -2.512 -4.156 -5.143 1.00 0.00 S ATOM 0 H CYS A 66 -4.313 -6.644 -5.169 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.892 -6.051 -8.002 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.185 -4.346 -7.542 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.811 -3.810 -7.166 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.566 -3.959 -4.408 1.00 0.00 H new ATOM 967 N THR A 67 -1.312 -6.772 -7.448 1.00 0.00 N ATOM 968 CA THR A 67 -0.171 -7.661 -7.314 1.00 0.00 C ATOM 969 C THR A 67 1.001 -6.928 -6.656 1.00 0.00 C ATOM 970 O THR A 67 1.171 -5.725 -6.848 1.00 0.00 O ATOM 971 CB THR A 67 0.162 -8.216 -8.701 1.00 0.00 C ATOM 972 OG1 THR A 67 -0.031 -7.107 -9.574 1.00 0.00 O ATOM 973 CG2 THR A 67 -0.861 -9.249 -9.179 1.00 0.00 C ATOM 0 H THR A 67 -1.188 -6.018 -8.124 1.00 0.00 H new ATOM 0 HA THR A 67 -0.399 -8.501 -6.658 1.00 0.00 H new ATOM 0 HB THR A 67 1.153 -8.668 -8.683 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.165 -7.378 -10.495 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.578 -9.611 -10.168 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.887 -10.085 -8.480 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.847 -8.788 -9.230 1.00 0.00 H new ATOM 981 N LEU A 68 1.777 -7.685 -5.895 1.00 0.00 N ATOM 982 CA LEU A 68 2.927 -7.123 -5.207 1.00 0.00 C ATOM 983 C LEU A 68 4.210 -7.670 -5.837 1.00 0.00 C ATOM 984 O LEU A 68 4.291 -8.855 -6.158 1.00 0.00 O ATOM 985 CB LEU A 68 2.826 -7.372 -3.701 1.00 0.00 C ATOM 986 CG LEU A 68 4.033 -6.937 -2.867 1.00 0.00 C ATOM 987 CD1 LEU A 68 4.358 -5.461 -3.102 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.814 -7.247 -1.384 1.00 0.00 C ATOM 0 H LEU A 68 1.632 -8.683 -5.739 1.00 0.00 H new ATOM 0 HA LEU A 68 2.950 -6.040 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.944 -6.853 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.662 -8.437 -3.539 1.00 0.00 H new ATOM 0 HG LEU A 68 4.899 -7.513 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.220 -5.177 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.586 -5.302 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.500 -4.850 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.686 -6.928 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.932 -6.715 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.667 -8.319 -1.254 1.00 0.00 H new ATOM 1000 N GLU A 69 5.180 -6.781 -5.994 1.00 0.00 N ATOM 1001 CA GLU A 69 6.455 -7.161 -6.579 1.00 0.00 C ATOM 1002 C GLU A 69 7.574 -6.269 -6.037 1.00 0.00 C ATOM 1003 O GLU A 69 7.656 -5.091 -6.383 1.00 0.00 O ATOM 1004 CB GLU A 69 6.396 -7.100 -8.107 1.00 0.00 C ATOM 1005 CG GLU A 69 7.784 -7.304 -8.717 1.00 0.00 C ATOM 1006 CD GLU A 69 7.681 -7.780 -10.168 1.00 0.00 C ATOM 1007 OE1 GLU A 69 7.279 -6.949 -11.010 1.00 0.00 O ATOM 1008 OE2 GLU A 69 8.007 -8.964 -10.401 1.00 0.00 O ATOM 0 H GLU A 69 5.109 -5.799 -5.726 1.00 0.00 H new ATOM 0 HA GLU A 69 6.670 -8.192 -6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.715 -7.865 -8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.995 -6.136 -8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.344 -6.370 -8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.340 -8.035 -8.129 1.00 0.00 H new ATOM 1015 N LEU A 70 8.407 -6.865 -5.197 1.00 0.00 N ATOM 1016 CA LEU A 70 9.518 -6.139 -4.604 1.00 0.00 C ATOM 1017 C LEU A 70 10.657 -6.041 -5.620 1.00 0.00 C ATOM 1018 O LEU A 70 11.041 -7.039 -6.227 1.00 0.00 O ATOM 1019 CB LEU A 70 9.930 -6.781 -3.278 1.00 0.00 C ATOM 1020 CG LEU A 70 8.869 -6.786 -2.176 1.00 0.00 C ATOM 1021 CD1 LEU A 70 7.890 -5.623 -2.353 1.00 0.00 C ATOM 1022 CD2 LEU A 70 8.150 -8.135 -2.113 1.00 0.00 C ATOM 0 H LEU A 70 8.335 -7.842 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 70 9.220 -5.119 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.227 -7.811 -3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.811 -6.260 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 70 9.370 -6.643 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.146 -5.649 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.434 -4.680 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.392 -5.711 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.401 -8.112 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.663 -8.333 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.873 -8.923 -1.905 1.00 0.00 H new ATOM 1034 N LEU A 71 11.167 -4.827 -5.774 1.00 0.00 N ATOM 1035 CA LEU A 71 12.255 -4.585 -6.707 1.00 0.00 C ATOM 1036 C LEU A 71 13.587 -4.895 -6.021 1.00 0.00 C ATOM 1037 O LEU A 71 13.697 -4.801 -4.799 1.00 0.00 O ATOM 1038 CB LEU A 71 12.170 -3.166 -7.272 1.00 0.00 C ATOM 1039 CG LEU A 71 11.277 -2.986 -8.501 1.00 0.00 C ATOM 1040 CD1 LEU A 71 10.165 -4.037 -8.530 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.721 -1.562 -8.572 1.00 0.00 C ATOM 0 H LEU A 71 10.847 -4.001 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 71 12.176 -5.251 -7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.809 -2.504 -6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.177 -2.837 -7.528 1.00 0.00 H new ATOM 0 HG LEU A 71 11.888 -3.138 -9.391 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.545 -3.886 -9.414 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.607 -5.033 -8.562 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.550 -3.941 -7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.090 -1.461 -9.455 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.131 -1.357 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.546 -0.852 -8.633 1.00 0.00 H new