USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 468 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 24:sc= 0.456 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0408) USER MOD Single : A 19 THR OG1 : rot 114:sc= 1.22 USER MOD Single : A 23 MET CE :methyl -150:sc= -0.0101 (180deg=-1.63) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= -0.172 (180deg=-0.539) USER MOD Single : A 34 LYS NZ :NH3+ 155:sc= -0.0797 (180deg=-0.552) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.0298 X(o=-0.03,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 69:sc= 0.777 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -175:sc= 0 (180deg=-0.0289) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.464 -4.632 -2.045 1.00 0.00 N ATOM 60 CA GLY A 7 -12.977 -3.264 -1.931 1.00 0.00 C ATOM 61 C GLY A 7 -11.465 -3.214 -2.126 1.00 0.00 C ATOM 62 O GLY A 7 -10.811 -4.246 -2.342 1.00 0.00 O ATOM 0 HA2 GLY A 7 -13.466 -2.635 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.236 -2.860 -0.952 1.00 0.00 H new ATOM 66 N SER A 8 -10.913 -2.005 -2.129 1.00 0.00 N ATOM 67 CA SER A 8 -9.489 -1.799 -2.316 1.00 0.00 C ATOM 68 C SER A 8 -8.977 -0.598 -1.526 1.00 0.00 C ATOM 69 O SER A 8 -9.683 0.397 -1.347 1.00 0.00 O ATOM 70 CB SER A 8 -9.220 -1.711 -3.820 1.00 0.00 C ATOM 71 OG SER A 8 -8.990 -3.033 -4.246 1.00 0.00 O ATOM 0 H SER A 8 -11.444 -1.143 -2.002 1.00 0.00 H new ATOM 0 HA SER A 8 -8.926 -2.641 -1.913 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.069 -1.273 -4.344 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.357 -1.078 -4.027 1.00 0.00 H new ATOM 0 HG SER A 8 -9.416 -3.657 -3.622 1.00 0.00 H new ATOM 77 N VAL A 9 -7.742 -0.704 -1.029 1.00 0.00 N ATOM 78 CA VAL A 9 -7.084 0.339 -0.251 1.00 0.00 C ATOM 79 C VAL A 9 -6.749 1.525 -1.153 1.00 0.00 C ATOM 80 O VAL A 9 -6.153 1.357 -2.223 1.00 0.00 O ATOM 81 CB VAL A 9 -5.822 -0.200 0.458 1.00 0.00 C ATOM 82 CG1 VAL A 9 -5.269 0.868 1.417 1.00 0.00 C ATOM 83 CG2 VAL A 9 -6.115 -1.466 1.284 1.00 0.00 C ATOM 0 H VAL A 9 -7.164 -1.534 -1.161 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.769 0.676 0.527 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.101 -0.446 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.379 0.484 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.011 1.765 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.025 1.113 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.198 -1.808 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.860 -1.239 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.495 -2.249 0.628 1.00 0.00 H new ATOM 93 N VAL A 10 -7.155 2.714 -0.710 1.00 0.00 N ATOM 94 CA VAL A 10 -6.907 3.966 -1.391 1.00 0.00 C ATOM 95 C VAL A 10 -6.179 4.878 -0.399 1.00 0.00 C ATOM 96 O VAL A 10 -6.269 4.715 0.827 1.00 0.00 O ATOM 97 CB VAL A 10 -8.196 4.588 -1.990 1.00 0.00 C ATOM 98 CG1 VAL A 10 -8.866 3.652 -3.007 1.00 0.00 C ATOM 99 CG2 VAL A 10 -9.247 5.024 -0.962 1.00 0.00 C ATOM 0 H VAL A 10 -7.679 2.827 0.158 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.277 3.809 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.834 5.491 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.764 4.127 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.174 3.448 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.135 2.716 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.109 5.445 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.562 4.161 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.818 5.776 -0.300 1.00 0.00 H new ATOM 109 N ALA A 11 -5.388 5.795 -0.941 1.00 0.00 N ATOM 110 CA ALA A 11 -4.626 6.780 -0.201 1.00 0.00 C ATOM 111 C ALA A 11 -5.651 7.724 0.413 1.00 0.00 C ATOM 112 O ALA A 11 -6.325 8.452 -0.303 1.00 0.00 O ATOM 113 CB ALA A 11 -3.705 7.521 -1.166 1.00 0.00 C ATOM 0 H ALA A 11 -5.258 5.872 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.002 6.334 0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.127 8.265 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.027 6.811 -1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.303 8.017 -1.931 1.00 0.00 H new ATOM 119 N LYS A 12 -5.812 7.720 1.734 1.00 0.00 N ATOM 120 CA LYS A 12 -6.801 8.586 2.379 1.00 0.00 C ATOM 121 C LYS A 12 -6.571 10.082 2.117 1.00 0.00 C ATOM 122 O LYS A 12 -7.521 10.859 2.121 1.00 0.00 O ATOM 123 CB LYS A 12 -6.823 8.244 3.867 1.00 0.00 C ATOM 124 CG LYS A 12 -7.994 8.948 4.551 1.00 0.00 C ATOM 125 CD LYS A 12 -8.171 8.435 5.979 1.00 0.00 C ATOM 126 CE LYS A 12 -8.507 9.629 6.856 1.00 0.00 C ATOM 127 NZ LYS A 12 -9.929 10.013 6.802 1.00 0.00 N ATOM 0 H LYS A 12 -5.277 7.134 2.375 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.780 8.395 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.910 7.165 3.999 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.885 8.547 4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.821 10.024 4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.909 8.780 3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.967 7.691 6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.260 7.948 6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.239 9.400 7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.897 10.479 6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.091 10.833 7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.185 10.262 5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.516 9.216 7.121 1.00 0.00 H new ATOM 141 N VAL A 13 -5.323 10.485 1.938 1.00 0.00 N ATOM 142 CA VAL A 13 -4.830 11.825 1.660 1.00 0.00 C ATOM 143 C VAL A 13 -3.673 11.677 0.665 1.00 0.00 C ATOM 144 O VAL A 13 -3.243 10.558 0.372 1.00 0.00 O ATOM 145 CB VAL A 13 -4.386 12.534 2.959 1.00 0.00 C ATOM 146 CG1 VAL A 13 -5.577 12.733 3.904 1.00 0.00 C ATOM 147 CG2 VAL A 13 -3.287 11.821 3.761 1.00 0.00 C ATOM 0 H VAL A 13 -4.555 9.816 1.989 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.615 12.449 1.233 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.971 13.478 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.241 13.234 4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.334 13.343 3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.003 11.763 4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.051 12.403 4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.636 10.831 4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.393 11.722 3.145 1.00 0.00 H new ATOM 157 N LYS A 14 -3.171 12.778 0.109 1.00 0.00 N ATOM 158 CA LYS A 14 -2.046 12.709 -0.820 1.00 0.00 C ATOM 159 C LYS A 14 -0.819 12.239 -0.035 1.00 0.00 C ATOM 160 O LYS A 14 -0.596 12.735 1.074 1.00 0.00 O ATOM 161 CB LYS A 14 -1.873 14.092 -1.453 1.00 0.00 C ATOM 162 CG LYS A 14 -0.543 14.285 -2.179 1.00 0.00 C ATOM 163 CD LYS A 14 -0.522 15.640 -2.878 1.00 0.00 C ATOM 164 CE LYS A 14 0.878 15.941 -3.409 1.00 0.00 C ATOM 165 NZ LYS A 14 1.811 16.336 -2.336 1.00 0.00 N ATOM 0 H LYS A 14 -3.522 13.720 0.284 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.205 11.999 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.687 14.261 -2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.963 14.850 -0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.281 14.220 -1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.398 13.488 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.239 15.644 -3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.830 16.421 -2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.267 15.061 -3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.820 16.739 -4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.712 16.644 -2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.399 17.118 -1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.981 15.525 -1.708 1.00 0.00 H new ATOM 179 N ILE A 15 -0.013 11.337 -0.598 1.00 0.00 N ATOM 180 CA ILE A 15 1.183 10.789 0.040 1.00 0.00 C ATOM 181 C ILE A 15 2.379 11.093 -0.859 1.00 0.00 C ATOM 182 O ILE A 15 2.532 10.430 -1.886 1.00 0.00 O ATOM 183 CB ILE A 15 1.049 9.269 0.310 1.00 0.00 C ATOM 184 CG1 ILE A 15 -0.331 8.936 0.908 1.00 0.00 C ATOM 185 CG2 ILE A 15 2.207 8.803 1.220 1.00 0.00 C ATOM 186 CD1 ILE A 15 -0.535 7.468 1.270 1.00 0.00 C ATOM 0 H ILE A 15 -0.178 10.959 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 15 1.322 11.255 1.015 1.00 0.00 H new ATOM 0 HB ILE A 15 1.119 8.726 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.479 9.540 1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.101 9.230 0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.113 7.734 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.159 9.002 0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.167 9.344 2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.534 7.331 1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.424 6.854 0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.208 7.169 2.010 1.00 0.00 H new ATOM 198 N PRO A 16 3.227 12.083 -0.534 1.00 0.00 N ATOM 199 CA PRO A 16 4.382 12.384 -1.363 1.00 0.00 C ATOM 200 C PRO A 16 5.369 11.216 -1.310 1.00 0.00 C ATOM 201 O PRO A 16 5.469 10.510 -0.301 1.00 0.00 O ATOM 202 CB PRO A 16 4.960 13.695 -0.829 1.00 0.00 C ATOM 203 CG PRO A 16 4.509 13.725 0.629 1.00 0.00 C ATOM 204 CD PRO A 16 3.187 12.951 0.633 1.00 0.00 C ATOM 0 HA PRO A 16 4.130 12.509 -2.416 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.047 13.716 -0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.581 14.554 -1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.245 13.258 1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.372 14.747 0.982 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.078 12.369 1.548 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.337 13.631 0.585 1.00 0.00 H new ATOM 212 N GLU A 17 6.112 11.021 -2.392 1.00 0.00 N ATOM 213 CA GLU A 17 7.109 9.975 -2.553 1.00 0.00 C ATOM 214 C GLU A 17 8.100 9.986 -1.386 1.00 0.00 C ATOM 215 O GLU A 17 8.423 11.035 -0.823 1.00 0.00 O ATOM 216 CB GLU A 17 7.796 10.172 -3.920 1.00 0.00 C ATOM 217 CG GLU A 17 9.210 9.594 -4.080 1.00 0.00 C ATOM 218 CD GLU A 17 10.315 10.493 -3.491 1.00 0.00 C ATOM 219 OE1 GLU A 17 10.330 11.718 -3.771 1.00 0.00 O ATOM 220 OE2 GLU A 17 11.197 9.997 -2.743 1.00 0.00 O ATOM 0 H GLU A 17 6.031 11.615 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 17 6.640 8.991 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.160 9.728 -4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.842 11.242 -4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.251 8.618 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.410 9.434 -5.139 1.00 0.00 H new ATOM 227 N GLY A 18 8.577 8.805 -1.005 1.00 0.00 N ATOM 228 CA GLY A 18 9.544 8.633 0.065 1.00 0.00 C ATOM 229 C GLY A 18 8.953 8.708 1.471 1.00 0.00 C ATOM 230 O GLY A 18 9.689 8.617 2.456 1.00 0.00 O ATOM 0 H GLY A 18 8.295 7.927 -1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.035 7.668 -0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.315 9.397 -0.033 1.00 0.00 H new ATOM 234 N THR A 19 7.639 8.854 1.596 1.00 0.00 N ATOM 235 CA THR A 19 6.950 8.950 2.883 1.00 0.00 C ATOM 236 C THR A 19 6.516 7.555 3.344 1.00 0.00 C ATOM 237 O THR A 19 6.234 6.690 2.512 1.00 0.00 O ATOM 238 CB THR A 19 5.770 9.921 2.726 1.00 0.00 C ATOM 239 OG1 THR A 19 6.249 11.106 2.127 1.00 0.00 O ATOM 240 CG2 THR A 19 5.075 10.306 4.030 1.00 0.00 C ATOM 0 H THR A 19 7.010 8.910 0.795 1.00 0.00 H new ATOM 0 HA THR A 19 7.610 9.341 3.657 1.00 0.00 H new ATOM 0 HB THR A 19 5.029 9.399 2.121 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.853 11.205 1.236 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.256 10.994 3.817 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.681 9.410 4.510 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.791 10.789 4.695 1.00 0.00 H new ATOM 248 N ILE A 20 6.493 7.313 4.658 1.00 0.00 N ATOM 249 CA ILE A 20 6.092 6.041 5.245 1.00 0.00 C ATOM 250 C ILE A 20 4.576 6.048 5.435 1.00 0.00 C ATOM 251 O ILE A 20 4.013 7.041 5.907 1.00 0.00 O ATOM 252 CB ILE A 20 6.816 5.834 6.592 1.00 0.00 C ATOM 253 CG1 ILE A 20 8.348 5.895 6.444 1.00 0.00 C ATOM 254 CG2 ILE A 20 6.394 4.527 7.280 1.00 0.00 C ATOM 255 CD1 ILE A 20 8.967 4.824 5.545 1.00 0.00 C ATOM 0 H ILE A 20 6.758 8.012 5.352 1.00 0.00 H new ATOM 0 HA ILE A 20 6.367 5.217 4.586 1.00 0.00 H new ATOM 0 HB ILE A 20 6.509 6.663 7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.619 6.875 6.051 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.795 5.815 7.435 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.929 4.424 8.224 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.321 4.546 7.471 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.632 3.682 6.634 1.00 0.00 H new ATOM 0 HD11 ILE A 20 10.048 4.958 5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.737 3.836 5.944 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.558 4.913 4.539 1.00 0.00 H new ATOM 267 N LEU A 21 3.927 4.942 5.071 1.00 0.00 N ATOM 268 CA LEU A 21 2.491 4.735 5.182 1.00 0.00 C ATOM 269 C LEU A 21 2.089 4.500 6.628 1.00 0.00 C ATOM 270 O LEU A 21 2.811 3.846 7.381 1.00 0.00 O ATOM 271 CB LEU A 21 2.069 3.482 4.389 1.00 0.00 C ATOM 272 CG LEU A 21 1.786 3.714 2.901 1.00 0.00 C ATOM 273 CD1 LEU A 21 1.349 2.393 2.255 1.00 0.00 C ATOM 274 CD2 LEU A 21 0.711 4.783 2.739 1.00 0.00 C ATOM 0 H LEU A 21 4.411 4.136 4.675 1.00 0.00 H new ATOM 0 HA LEU A 21 2.005 5.629 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.855 2.733 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.175 3.064 4.851 1.00 0.00 H new ATOM 0 HG LEU A 21 2.690 4.064 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.147 2.555 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.143 1.654 2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.446 2.030 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.514 4.943 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.204 4.456 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.053 5.715 3.190 1.00 0.00 H new ATOM 286 N THR A 22 0.893 4.952 6.987 1.00 0.00 N ATOM 287 CA THR A 22 0.304 4.820 8.311 1.00 0.00 C ATOM 288 C THR A 22 -1.181 4.525 8.107 1.00 0.00 C ATOM 289 O THR A 22 -1.721 4.858 7.044 1.00 0.00 O ATOM 290 CB THR A 22 0.550 6.110 9.118 1.00 0.00 C ATOM 291 OG1 THR A 22 -0.130 7.209 8.549 1.00 0.00 O ATOM 292 CG2 THR A 22 2.032 6.493 9.209 1.00 0.00 C ATOM 0 H THR A 22 0.282 5.442 6.333 1.00 0.00 H new ATOM 0 HA THR A 22 0.754 4.010 8.885 1.00 0.00 H new ATOM 0 HB THR A 22 0.175 5.890 10.117 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.043 8.013 9.083 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.136 7.410 9.790 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.586 5.690 9.696 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.429 6.652 8.206 1.00 0.00 H new ATOM 300 N MET A 23 -1.869 3.925 9.085 1.00 0.00 N ATOM 301 CA MET A 23 -3.300 3.654 8.917 1.00 0.00 C ATOM 302 C MET A 23 -4.092 4.964 8.765 1.00 0.00 C ATOM 303 O MET A 23 -5.181 4.940 8.199 1.00 0.00 O ATOM 304 CB MET A 23 -3.868 2.771 10.040 1.00 0.00 C ATOM 305 CG MET A 23 -3.434 1.306 9.962 1.00 0.00 C ATOM 306 SD MET A 23 -3.799 0.455 8.405 1.00 0.00 S ATOM 307 CE MET A 23 -3.855 -1.248 9.021 1.00 0.00 C ATOM 0 H MET A 23 -1.473 3.626 9.976 1.00 0.00 H new ATOM 0 HA MET A 23 -3.413 3.083 7.995 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.558 3.180 11.001 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.957 2.819 10.010 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.359 1.256 10.138 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.916 0.761 10.773 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.540 -1.931 8.232 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.186 -1.348 9.876 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.873 -1.491 9.326 1.00 0.00 H new ATOM 317 N ASP A 24 -3.550 6.110 9.198 1.00 0.00 N ATOM 318 CA ASP A 24 -4.205 7.417 9.073 1.00 0.00 C ATOM 319 C ASP A 24 -4.197 7.877 7.610 1.00 0.00 C ATOM 320 O ASP A 24 -4.980 8.746 7.224 1.00 0.00 O ATOM 321 CB ASP A 24 -3.457 8.509 9.859 1.00 0.00 C ATOM 322 CG ASP A 24 -3.430 8.325 11.371 1.00 0.00 C ATOM 323 OD1 ASP A 24 -2.526 7.607 11.871 1.00 0.00 O ATOM 324 OD2 ASP A 24 -4.280 8.910 12.075 1.00 0.00 O ATOM 0 H ASP A 24 -2.636 6.155 9.649 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.216 7.289 9.459 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.430 8.554 9.497 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.916 9.472 9.636 1.00 0.00 H new ATOM 329 N MET A 25 -3.288 7.331 6.796 1.00 0.00 N ATOM 330 CA MET A 25 -3.100 7.636 5.386 1.00 0.00 C ATOM 331 C MET A 25 -3.634 6.513 4.489 1.00 0.00 C ATOM 332 O MET A 25 -3.500 6.568 3.265 1.00 0.00 O ATOM 333 CB MET A 25 -1.614 7.967 5.165 1.00 0.00 C ATOM 334 CG MET A 25 -1.275 9.297 5.854 1.00 0.00 C ATOM 335 SD MET A 25 0.243 10.131 5.310 1.00 0.00 S ATOM 336 CE MET A 25 1.479 8.865 5.684 1.00 0.00 C ATOM 0 H MET A 25 -2.630 6.626 7.128 1.00 0.00 H new ATOM 0 HA MET A 25 -3.686 8.508 5.097 1.00 0.00 H new ATOM 0 HB2 MET A 25 -0.990 7.169 5.566 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.400 8.034 4.098 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.111 9.980 5.705 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.198 9.115 6.926 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.468 9.228 5.405 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.461 8.643 6.751 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.254 7.959 5.122 1.00 0.00 H new ATOM 346 N LEU A 26 -4.268 5.495 5.067 1.00 0.00 N ATOM 347 CA LEU A 26 -4.839 4.374 4.329 1.00 0.00 C ATOM 348 C LEU A 26 -6.316 4.279 4.658 1.00 0.00 C ATOM 349 O LEU A 26 -6.712 4.492 5.807 1.00 0.00 O ATOM 350 CB LEU A 26 -4.139 3.062 4.710 1.00 0.00 C ATOM 351 CG LEU A 26 -2.662 2.987 4.287 1.00 0.00 C ATOM 352 CD1 LEU A 26 -2.090 1.633 4.720 1.00 0.00 C ATOM 353 CD2 LEU A 26 -2.498 3.187 2.778 1.00 0.00 C ATOM 0 H LEU A 26 -4.401 5.426 6.076 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.700 4.538 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.203 2.930 5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.678 2.231 4.255 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.114 3.792 4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.043 1.569 4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.168 1.534 5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.651 0.831 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.442 3.128 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.048 2.411 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.887 4.165 2.496 1.00 0.00 H new ATOM 365 N THR A 27 -7.145 3.964 3.668 1.00 0.00 N ATOM 366 CA THR A 27 -8.570 3.822 3.886 1.00 0.00 C ATOM 367 C THR A 27 -9.102 2.857 2.830 1.00 0.00 C ATOM 368 O THR A 27 -8.955 3.116 1.638 1.00 0.00 O ATOM 369 CB THR A 27 -9.235 5.215 3.964 1.00 0.00 C ATOM 370 OG1 THR A 27 -10.474 5.146 4.643 1.00 0.00 O ATOM 371 CG2 THR A 27 -9.402 5.989 2.660 1.00 0.00 C ATOM 0 H THR A 27 -6.848 3.803 2.706 1.00 0.00 H new ATOM 0 HA THR A 27 -8.819 3.376 4.849 1.00 0.00 H new ATOM 0 HB THR A 27 -8.504 5.798 4.524 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.876 6.039 4.682 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.882 6.946 2.864 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.424 6.162 2.211 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.020 5.413 1.972 1.00 0.00 H new ATOM 379 N VAL A 28 -9.612 1.683 3.218 1.00 0.00 N ATOM 380 CA VAL A 28 -10.160 0.773 2.210 1.00 0.00 C ATOM 381 C VAL A 28 -11.463 1.392 1.716 1.00 0.00 C ATOM 382 O VAL A 28 -12.248 1.961 2.486 1.00 0.00 O ATOM 383 CB VAL A 28 -10.301 -0.704 2.665 1.00 0.00 C ATOM 384 CG1 VAL A 28 -10.600 -0.886 4.152 1.00 0.00 C ATOM 385 CG2 VAL A 28 -11.360 -1.476 1.848 1.00 0.00 C ATOM 0 H VAL A 28 -9.657 1.351 4.181 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.448 0.679 1.390 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.312 -1.120 2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.682 -1.949 4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.793 -0.450 4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.539 -0.389 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.418 -2.504 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.331 -0.995 1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.079 -1.475 0.795 1.00 0.00 H new ATOM 395 N LYS A 29 -11.677 1.309 0.409 1.00 0.00 N ATOM 396 CA LYS A 29 -12.863 1.793 -0.245 1.00 0.00 C ATOM 397 C LYS A 29 -13.647 0.544 -0.583 1.00 0.00 C ATOM 398 O LYS A 29 -13.170 -0.308 -1.334 1.00 0.00 O ATOM 399 CB LYS A 29 -12.524 2.618 -1.493 1.00 0.00 C ATOM 400 CG LYS A 29 -13.621 3.659 -1.744 1.00 0.00 C ATOM 401 CD LYS A 29 -13.331 5.001 -1.050 1.00 0.00 C ATOM 402 CE LYS A 29 -12.993 4.972 0.448 1.00 0.00 C ATOM 403 NZ LYS A 29 -14.161 4.742 1.327 1.00 0.00 N ATOM 0 H LYS A 29 -11.005 0.890 -0.234 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.436 2.471 0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.563 3.115 -1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.428 1.962 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.723 3.823 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.575 3.269 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.500 5.476 -1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.201 5.643 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.257 4.189 0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.526 5.918 0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.838 4.370 2.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.665 5.639 1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.801 4.055 0.881 1.00 0.00 H new ATOM 417 N VAL A 30 -14.789 0.372 0.073 1.00 0.00 N ATOM 418 CA VAL A 30 -15.652 -0.768 -0.168 1.00 0.00 C ATOM 419 C VAL A 30 -16.054 -0.665 -1.645 1.00 0.00 C ATOM 420 O VAL A 30 -16.474 0.407 -2.092 1.00 0.00 O ATOM 421 CB VAL A 30 -16.827 -0.755 0.832 1.00 0.00 C ATOM 422 CG1 VAL A 30 -16.308 -0.916 2.272 1.00 0.00 C ATOM 423 CG2 VAL A 30 -17.664 0.531 0.803 1.00 0.00 C ATOM 0 H VAL A 30 -15.137 1.017 0.782 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.172 -1.733 -0.002 1.00 0.00 H new ATOM 0 HB VAL A 30 -17.461 -1.586 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -17.149 -0.905 2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -15.775 -1.863 2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -15.632 -0.095 2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -18.468 0.458 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -17.029 1.384 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -18.090 0.666 -0.191 1.00 0.00 H new ATOM 433 N GLY A 31 -15.877 -1.728 -2.432 1.00 0.00 N ATOM 434 CA GLY A 31 -16.228 -1.655 -3.838 1.00 0.00 C ATOM 435 C GLY A 31 -15.775 -2.865 -4.635 1.00 0.00 C ATOM 436 O GLY A 31 -16.552 -3.799 -4.814 1.00 0.00 O ATOM 0 H GLY A 31 -15.502 -2.625 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.309 -1.552 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.784 -0.758 -4.270 1.00 0.00 H new ATOM 440 N GLU A 32 -14.534 -2.869 -5.122 1.00 0.00 N ATOM 441 CA GLU A 32 -13.987 -3.958 -5.928 1.00 0.00 C ATOM 442 C GLU A 32 -12.537 -4.275 -5.538 1.00 0.00 C ATOM 443 O GLU A 32 -11.872 -3.391 -5.003 1.00 0.00 O ATOM 444 CB GLU A 32 -14.091 -3.543 -7.409 1.00 0.00 C ATOM 445 CG GLU A 32 -13.162 -2.391 -7.812 1.00 0.00 C ATOM 446 CD GLU A 32 -13.217 -2.082 -9.309 1.00 0.00 C ATOM 447 OE1 GLU A 32 -13.085 -3.000 -10.155 1.00 0.00 O ATOM 448 OE2 GLU A 32 -13.394 -0.896 -9.660 1.00 0.00 O ATOM 0 H GLU A 32 -13.874 -2.107 -4.966 1.00 0.00 H new ATOM 0 HA GLU A 32 -14.556 -4.871 -5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.868 -4.409 -8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.120 -3.254 -7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.434 -1.497 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.138 -2.642 -7.535 1.00 0.00 H new ATOM 455 N PRO A 33 -11.996 -5.462 -5.873 1.00 0.00 N ATOM 456 CA PRO A 33 -10.620 -5.844 -5.542 1.00 0.00 C ATOM 457 C PRO A 33 -9.534 -5.128 -6.367 1.00 0.00 C ATOM 458 O PRO A 33 -8.362 -5.511 -6.283 1.00 0.00 O ATOM 459 CB PRO A 33 -10.576 -7.365 -5.742 1.00 0.00 C ATOM 460 CG PRO A 33 -11.599 -7.602 -6.844 1.00 0.00 C ATOM 461 CD PRO A 33 -12.685 -6.588 -6.496 1.00 0.00 C ATOM 0 HA PRO A 33 -10.386 -5.540 -4.522 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.582 -7.704 -6.036 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.838 -7.899 -4.828 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.179 -7.426 -7.834 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.978 -8.624 -6.835 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.224 -6.271 -7.389 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.420 -7.020 -5.817 1.00 0.00 H new ATOM 469 N LYS A 34 -9.889 -4.156 -7.211 1.00 0.00 N ATOM 470 CA LYS A 34 -8.965 -3.391 -8.039 1.00 0.00 C ATOM 471 C LYS A 34 -8.105 -2.494 -7.148 1.00 0.00 C ATOM 472 O LYS A 34 -8.504 -1.365 -6.854 1.00 0.00 O ATOM 473 CB LYS A 34 -9.764 -2.559 -9.053 1.00 0.00 C ATOM 474 CG LYS A 34 -8.857 -1.859 -10.065 1.00 0.00 C ATOM 475 CD LYS A 34 -9.640 -0.821 -10.878 1.00 0.00 C ATOM 476 CE LYS A 34 -9.030 -0.589 -12.261 1.00 0.00 C ATOM 477 NZ LYS A 34 -9.098 -1.804 -13.098 1.00 0.00 N ATOM 0 H LYS A 34 -10.861 -3.874 -7.338 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.305 -4.064 -8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.464 -3.207 -9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.357 -1.814 -8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.033 -1.372 -9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.418 -2.597 -10.737 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.672 -1.153 -10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.666 0.122 -10.331 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.556 0.226 -12.759 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.991 -0.279 -12.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.086 -1.535 -14.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.280 -2.413 -12.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.976 -2.321 -12.888 1.00 0.00 H new ATOM 491 N GLY A 35 -6.932 -2.973 -6.742 1.00 0.00 N ATOM 492 CA GLY A 35 -6.015 -2.230 -5.899 1.00 0.00 C ATOM 493 C GLY A 35 -5.233 -3.171 -5.001 1.00 0.00 C ATOM 494 O GLY A 35 -4.179 -3.665 -5.399 1.00 0.00 O ATOM 0 H GLY A 35 -6.592 -3.901 -6.996 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.327 -1.655 -6.519 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.569 -1.515 -5.291 1.00 0.00 H new ATOM 498 N TYR A 36 -5.755 -3.415 -3.799 1.00 0.00 N ATOM 499 CA TYR A 36 -5.156 -4.277 -2.787 1.00 0.00 C ATOM 500 C TYR A 36 -6.230 -4.776 -1.808 1.00 0.00 C ATOM 501 O TYR A 36 -7.090 -3.976 -1.418 1.00 0.00 O ATOM 502 CB TYR A 36 -4.125 -3.441 -2.030 1.00 0.00 C ATOM 503 CG TYR A 36 -2.910 -4.204 -1.570 1.00 0.00 C ATOM 504 CD1 TYR A 36 -2.918 -4.880 -0.337 1.00 0.00 C ATOM 505 CD2 TYR A 36 -1.752 -4.192 -2.368 1.00 0.00 C ATOM 506 CE1 TYR A 36 -1.763 -5.546 0.102 1.00 0.00 C ATOM 507 CE2 TYR A 36 -0.594 -4.850 -1.926 1.00 0.00 C ATOM 508 CZ TYR A 36 -0.598 -5.534 -0.692 1.00 0.00 C ATOM 509 OH TYR A 36 0.539 -6.129 -0.263 1.00 0.00 O ATOM 0 H TYR A 36 -6.637 -3.002 -3.495 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.692 -5.145 -3.255 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.801 -2.621 -2.671 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.607 -2.994 -1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.811 -4.887 0.271 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.754 -3.678 -3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.767 -6.067 1.048 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.301 -4.833 -2.531 1.00 0.00 H new ATOM 0 HH TYR A 36 1.239 -6.022 -0.940 1.00 0.00 H new ATOM 519 N PRO A 37 -6.187 -6.037 -1.342 1.00 0.00 N ATOM 520 CA PRO A 37 -7.188 -6.566 -0.421 1.00 0.00 C ATOM 521 C PRO A 37 -7.111 -5.923 0.974 1.00 0.00 C ATOM 522 O PRO A 37 -6.033 -5.538 1.425 1.00 0.00 O ATOM 523 CB PRO A 37 -6.940 -8.076 -0.371 1.00 0.00 C ATOM 524 CG PRO A 37 -5.458 -8.209 -0.715 1.00 0.00 C ATOM 525 CD PRO A 37 -5.234 -7.073 -1.709 1.00 0.00 C ATOM 0 HA PRO A 37 -8.195 -6.335 -0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.161 -8.486 0.614 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.567 -8.609 -1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.828 -8.103 0.168 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.231 -9.180 -1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.211 -6.701 -1.655 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.397 -7.410 -2.733 1.00 0.00 H new ATOM 533 N PRO A 38 -8.242 -5.824 1.701 1.00 0.00 N ATOM 534 CA PRO A 38 -8.284 -5.227 3.034 1.00 0.00 C ATOM 535 C PRO A 38 -7.800 -6.166 4.143 1.00 0.00 C ATOM 536 O PRO A 38 -7.793 -5.746 5.300 1.00 0.00 O ATOM 537 CB PRO A 38 -9.753 -4.875 3.255 1.00 0.00 C ATOM 538 CG PRO A 38 -10.489 -5.979 2.503 1.00 0.00 C ATOM 539 CD PRO A 38 -9.582 -6.239 1.298 1.00 0.00 C ATOM 0 HA PRO A 38 -7.614 -4.369 3.081 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.011 -4.867 4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.995 -3.888 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.612 -6.872 3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.486 -5.663 2.197 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.596 -7.293 1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.919 -5.675 0.428 1.00 0.00 H new ATOM 547 N GLU A 39 -7.461 -7.417 3.824 1.00 0.00 N ATOM 548 CA GLU A 39 -6.983 -8.417 4.770 1.00 0.00 C ATOM 549 C GLU A 39 -5.550 -8.033 5.154 1.00 0.00 C ATOM 550 O GLU A 39 -5.259 -7.717 6.308 1.00 0.00 O ATOM 551 CB GLU A 39 -7.077 -9.801 4.085 1.00 0.00 C ATOM 552 CG GLU A 39 -7.254 -10.996 5.026 1.00 0.00 C ATOM 553 CD GLU A 39 -6.114 -11.198 6.025 1.00 0.00 C ATOM 554 OE1 GLU A 39 -6.234 -10.682 7.157 1.00 0.00 O ATOM 555 OE2 GLU A 39 -5.180 -11.985 5.754 1.00 0.00 O ATOM 0 H GLU A 39 -7.515 -7.769 2.868 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.576 -8.463 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.914 -9.784 3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.173 -9.957 3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.185 -10.871 5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.358 -11.901 4.427 1.00 0.00 H new ATOM 562 N ASP A 40 -4.682 -7.964 4.145 1.00 0.00 N ATOM 563 CA ASP A 40 -3.258 -7.640 4.184 1.00 0.00 C ATOM 564 C ASP A 40 -2.968 -6.163 4.487 1.00 0.00 C ATOM 565 O ASP A 40 -1.806 -5.759 4.456 1.00 0.00 O ATOM 566 CB ASP A 40 -2.654 -7.957 2.805 1.00 0.00 C ATOM 567 CG ASP A 40 -2.468 -9.440 2.503 1.00 0.00 C ATOM 568 OD1 ASP A 40 -3.495 -10.129 2.343 1.00 0.00 O ATOM 569 OD2 ASP A 40 -1.313 -9.901 2.332 1.00 0.00 O ATOM 0 H ASP A 40 -4.988 -8.151 3.190 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.822 -8.232 4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.295 -7.524 2.037 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.686 -7.463 2.728 1.00 0.00 H new ATOM 574 N ILE A 41 -3.976 -5.339 4.782 1.00 0.00 N ATOM 575 CA ILE A 41 -3.809 -3.910 5.047 1.00 0.00 C ATOM 576 C ILE A 41 -2.694 -3.582 6.057 1.00 0.00 C ATOM 577 O ILE A 41 -1.957 -2.615 5.869 1.00 0.00 O ATOM 578 CB ILE A 41 -5.177 -3.268 5.366 1.00 0.00 C ATOM 579 CG1 ILE A 41 -5.078 -1.730 5.287 1.00 0.00 C ATOM 580 CG2 ILE A 41 -5.748 -3.771 6.705 1.00 0.00 C ATOM 581 CD1 ILE A 41 -6.430 -1.015 5.368 1.00 0.00 C ATOM 0 H ILE A 41 -4.945 -5.651 4.844 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.439 -3.443 4.134 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.894 -3.583 4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.441 -1.375 6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.588 -1.455 4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.711 -3.295 6.892 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.880 -4.852 6.661 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.058 -3.522 7.511 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.276 0.062 5.306 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.063 -1.340 4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.914 -1.258 6.314 1.00 0.00 H new ATOM 593 N PHE A 42 -2.514 -4.404 7.095 1.00 0.00 N ATOM 594 CA PHE A 42 -1.495 -4.210 8.128 1.00 0.00 C ATOM 595 C PHE A 42 -0.060 -4.281 7.592 1.00 0.00 C ATOM 596 O PHE A 42 0.877 -3.929 8.316 1.00 0.00 O ATOM 597 CB PHE A 42 -1.681 -5.263 9.225 1.00 0.00 C ATOM 598 CG PHE A 42 -2.851 -4.991 10.146 1.00 0.00 C ATOM 599 CD1 PHE A 42 -4.161 -5.348 9.771 1.00 0.00 C ATOM 600 CD2 PHE A 42 -2.623 -4.382 11.395 1.00 0.00 C ATOM 601 CE1 PHE A 42 -5.233 -5.079 10.637 1.00 0.00 C ATOM 602 CE2 PHE A 42 -3.701 -4.101 12.251 1.00 0.00 C ATOM 603 CZ PHE A 42 -5.007 -4.447 11.870 1.00 0.00 C ATOM 0 H PHE A 42 -3.083 -5.238 7.243 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.633 -3.203 8.522 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.818 -6.239 8.759 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.769 -5.319 9.819 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.340 -5.827 8.820 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.617 -4.130 11.696 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.236 -5.360 10.353 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.525 -3.619 13.201 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.837 -4.227 12.525 1.00 0.00 H new ATOM 613 N ASN A 43 0.142 -4.776 6.369 1.00 0.00 N ATOM 614 CA ASN A 43 1.461 -4.875 5.750 1.00 0.00 C ATOM 615 C ASN A 43 1.818 -3.593 5.025 1.00 0.00 C ATOM 616 O ASN A 43 2.995 -3.286 4.874 1.00 0.00 O ATOM 617 CB ASN A 43 1.489 -5.960 4.675 1.00 0.00 C ATOM 618 CG ASN A 43 1.259 -7.332 5.273 1.00 0.00 C ATOM 619 OD1 ASN A 43 2.075 -7.827 6.046 1.00 0.00 O ATOM 620 ND2 ASN A 43 0.114 -7.920 5.001 1.00 0.00 N ATOM 0 H ASN A 43 -0.613 -5.122 5.777 1.00 0.00 H new ATOM 0 HA ASN A 43 2.156 -5.093 6.561 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.723 -5.754 3.927 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.450 -5.941 4.161 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.117 -8.813 5.437 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.543 -7.483 4.354 1.00 0.00 H new ATOM 627 N LEU A 44 0.813 -2.888 4.511 1.00 0.00 N ATOM 628 CA LEU A 44 0.976 -1.648 3.771 1.00 0.00 C ATOM 629 C LEU A 44 1.476 -0.574 4.721 1.00 0.00 C ATOM 630 O LEU A 44 2.367 0.198 4.378 1.00 0.00 O ATOM 631 CB LEU A 44 -0.372 -1.249 3.152 1.00 0.00 C ATOM 632 CG LEU A 44 -0.932 -2.318 2.190 1.00 0.00 C ATOM 633 CD1 LEU A 44 -2.440 -2.141 1.989 1.00 0.00 C ATOM 634 CD2 LEU A 44 -0.168 -2.296 0.861 1.00 0.00 C ATOM 0 H LEU A 44 -0.162 -3.175 4.602 1.00 0.00 H new ATOM 0 HA LEU A 44 1.701 -1.773 2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.094 -1.071 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.254 -0.309 2.613 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.785 -3.301 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.809 -2.907 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.948 -2.235 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.638 -1.155 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.576 -3.056 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.271 -1.314 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.887 -2.502 1.044 1.00 0.00 H new ATOM 646 N VAL A 45 0.875 -0.507 5.908 1.00 0.00 N ATOM 647 CA VAL A 45 1.278 0.476 6.902 1.00 0.00 C ATOM 648 C VAL A 45 2.698 0.110 7.336 1.00 0.00 C ATOM 649 O VAL A 45 2.975 -1.034 7.699 1.00 0.00 O ATOM 650 CB VAL A 45 0.226 0.642 8.015 1.00 0.00 C ATOM 651 CG1 VAL A 45 -0.404 -0.635 8.544 1.00 0.00 C ATOM 652 CG2 VAL A 45 0.759 1.407 9.223 1.00 0.00 C ATOM 0 H VAL A 45 0.113 -1.119 6.200 1.00 0.00 H new ATOM 0 HA VAL A 45 1.317 1.487 6.497 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.548 1.203 7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.127 -0.389 9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.909 -1.155 7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.372 -1.278 8.960 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.026 1.493 9.974 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.609 0.872 9.646 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.075 2.403 8.913 1.00 0.00 H new ATOM 662 N GLY A 46 3.609 1.070 7.201 1.00 0.00 N ATOM 663 CA GLY A 46 5.017 0.951 7.526 1.00 0.00 C ATOM 664 C GLY A 46 5.902 0.966 6.282 1.00 0.00 C ATOM 665 O GLY A 46 7.108 1.172 6.425 1.00 0.00 O ATOM 0 H GLY A 46 3.368 1.995 6.844 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.306 1.770 8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.184 0.025 8.077 1.00 0.00 H new ATOM 669 N LYS A 47 5.341 0.766 5.081 1.00 0.00 N ATOM 670 CA LYS A 47 6.098 0.776 3.827 1.00 0.00 C ATOM 671 C LYS A 47 6.317 2.204 3.349 1.00 0.00 C ATOM 672 O LYS A 47 5.551 3.100 3.707 1.00 0.00 O ATOM 673 CB LYS A 47 5.323 0.039 2.727 1.00 0.00 C ATOM 674 CG LYS A 47 5.145 -1.447 3.019 1.00 0.00 C ATOM 675 CD LYS A 47 4.688 -2.173 1.751 1.00 0.00 C ATOM 676 CE LYS A 47 4.238 -3.615 2.002 1.00 0.00 C ATOM 677 NZ LYS A 47 5.284 -4.458 2.617 1.00 0.00 N ATOM 0 H LYS A 47 4.344 0.592 4.955 1.00 0.00 H new ATOM 0 HA LYS A 47 7.053 0.285 4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.343 0.501 2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.847 0.157 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.084 -1.872 3.374 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.411 -1.586 3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.866 -1.617 1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.505 -2.176 1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.361 -3.607 2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.931 -4.062 1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.915 -5.420 2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.113 -4.495 1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.561 -4.054 3.534 1.00 0.00 H new ATOM 691 N LYS A 48 7.320 2.436 2.510 1.00 0.00 N ATOM 692 CA LYS A 48 7.638 3.736 1.926 1.00 0.00 C ATOM 693 C LYS A 48 7.023 3.769 0.528 1.00 0.00 C ATOM 694 O LYS A 48 6.951 2.718 -0.117 1.00 0.00 O ATOM 695 CB LYS A 48 9.159 3.919 1.875 1.00 0.00 C ATOM 696 CG LYS A 48 9.525 5.347 1.458 1.00 0.00 C ATOM 697 CD LYS A 48 10.997 5.698 1.709 1.00 0.00 C ATOM 698 CE LYS A 48 11.239 5.984 3.191 1.00 0.00 C ATOM 699 NZ LYS A 48 12.549 6.613 3.437 1.00 0.00 N ATOM 0 H LYS A 48 7.957 1.699 2.206 1.00 0.00 H new ATOM 0 HA LYS A 48 7.233 4.552 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.588 3.700 2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.591 3.208 1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.304 5.476 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.894 6.049 2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.633 4.875 1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.275 6.569 1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.450 6.636 3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.176 5.052 3.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.665 6.787 4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.305 5.981 3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.602 7.516 2.924 1.00 0.00 H new ATOM 713 N VAL A 49 6.490 4.902 0.075 1.00 0.00 N ATOM 714 CA VAL A 49 5.906 4.974 -1.265 1.00 0.00 C ATOM 715 C VAL A 49 7.005 5.291 -2.276 1.00 0.00 C ATOM 716 O VAL A 49 7.909 6.083 -1.993 1.00 0.00 O ATOM 717 CB VAL A 49 4.796 6.034 -1.367 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.484 5.490 -0.823 1.00 0.00 C ATOM 719 CG2 VAL A 49 5.097 7.343 -0.641 1.00 0.00 C ATOM 0 H VAL A 49 6.450 5.772 0.606 1.00 0.00 H new ATOM 0 HA VAL A 49 5.452 4.006 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 49 4.730 6.258 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.712 6.255 -0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.188 4.613 -1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.611 5.212 0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.260 8.030 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.247 7.144 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.000 7.791 -1.057 1.00 0.00 H new ATOM 729 N LEU A 50 6.884 4.701 -3.464 1.00 0.00 N ATOM 730 CA LEU A 50 7.806 4.856 -4.583 1.00 0.00 C ATOM 731 C LEU A 50 7.392 5.970 -5.548 1.00 0.00 C ATOM 732 O LEU A 50 8.088 6.206 -6.537 1.00 0.00 O ATOM 733 CB LEU A 50 7.858 3.544 -5.374 1.00 0.00 C ATOM 734 CG LEU A 50 8.400 2.325 -4.610 1.00 0.00 C ATOM 735 CD1 LEU A 50 8.498 1.153 -5.586 1.00 0.00 C ATOM 736 CD2 LEU A 50 9.775 2.560 -3.978 1.00 0.00 C ATOM 0 H LEU A 50 6.107 4.076 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 50 8.776 5.118 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.852 3.312 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.476 3.699 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 50 7.710 2.122 -3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.881 0.276 -5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.510 0.932 -5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.173 1.414 -6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.094 1.658 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.497 2.803 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.714 3.387 -3.270 1.00 0.00 H new ATOM 748 N VAL A 51 6.241 6.598 -5.318 1.00 0.00 N ATOM 749 CA VAL A 51 5.681 7.676 -6.125 1.00 0.00 C ATOM 750 C VAL A 51 4.866 8.616 -5.236 1.00 0.00 C ATOM 751 O VAL A 51 4.494 8.245 -4.119 1.00 0.00 O ATOM 752 CB VAL A 51 4.740 7.107 -7.221 1.00 0.00 C ATOM 753 CG1 VAL A 51 5.440 6.126 -8.162 1.00 0.00 C ATOM 754 CG2 VAL A 51 3.492 6.403 -6.671 1.00 0.00 C ATOM 0 H VAL A 51 5.646 6.356 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 51 6.506 8.212 -6.594 1.00 0.00 H new ATOM 0 HB VAL A 51 4.435 8.000 -7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.729 5.764 -8.905 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.265 6.630 -8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.825 5.283 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.887 6.034 -7.500 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.794 5.566 -6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.907 7.108 -6.081 1.00 0.00 H new ATOM 764 N THR A 52 4.600 9.827 -5.723 1.00 0.00 N ATOM 765 CA THR A 52 3.777 10.794 -5.014 1.00 0.00 C ATOM 766 C THR A 52 2.353 10.430 -5.409 1.00 0.00 C ATOM 767 O THR A 52 1.927 10.693 -6.537 1.00 0.00 O ATOM 768 CB THR A 52 4.136 12.238 -5.378 1.00 0.00 C ATOM 769 OG1 THR A 52 5.326 12.544 -4.690 1.00 0.00 O ATOM 770 CG2 THR A 52 3.071 13.266 -4.962 1.00 0.00 C ATOM 0 H THR A 52 4.951 10.161 -6.620 1.00 0.00 H new ATOM 0 HA THR A 52 3.925 10.752 -3.935 1.00 0.00 H new ATOM 0 HB THR A 52 4.225 12.300 -6.463 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.066 12.026 -5.070 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.396 14.265 -5.253 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.128 13.033 -5.456 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.933 13.230 -3.881 1.00 0.00 H new ATOM 778 N VAL A 53 1.674 9.728 -4.515 1.00 0.00 N ATOM 779 CA VAL A 53 0.306 9.295 -4.693 1.00 0.00 C ATOM 780 C VAL A 53 -0.607 10.463 -4.317 1.00 0.00 C ATOM 781 O VAL A 53 -0.304 11.199 -3.379 1.00 0.00 O ATOM 782 CB VAL A 53 0.031 8.099 -3.765 1.00 0.00 C ATOM 783 CG1 VAL A 53 -1.379 7.602 -4.037 1.00 0.00 C ATOM 784 CG2 VAL A 53 0.991 6.910 -3.932 1.00 0.00 C ATOM 0 H VAL A 53 2.075 9.438 -3.623 1.00 0.00 H new ATOM 0 HA VAL A 53 0.125 8.992 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 53 0.173 8.468 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.597 6.753 -3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.092 8.402 -3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.461 7.294 -5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.715 6.119 -3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.929 6.532 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.011 7.234 -3.727 1.00 0.00 H new ATOM 794 N GLU A 54 -1.721 10.640 -5.022 1.00 0.00 N ATOM 795 CA GLU A 54 -2.690 11.695 -4.753 1.00 0.00 C ATOM 796 C GLU A 54 -3.737 11.220 -3.741 1.00 0.00 C ATOM 797 O GLU A 54 -3.695 10.090 -3.263 1.00 0.00 O ATOM 798 CB GLU A 54 -3.381 12.076 -6.063 1.00 0.00 C ATOM 799 CG GLU A 54 -2.426 12.818 -6.997 1.00 0.00 C ATOM 800 CD GLU A 54 -3.261 13.620 -7.976 1.00 0.00 C ATOM 801 OE1 GLU A 54 -3.612 13.085 -9.053 1.00 0.00 O ATOM 802 OE2 GLU A 54 -3.645 14.760 -7.609 1.00 0.00 O ATOM 0 H GLU A 54 -1.979 10.044 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.172 12.558 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.751 11.177 -6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.247 12.703 -5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.769 13.476 -6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.787 12.113 -7.529 1.00 0.00 H new ATOM 809 N GLU A 55 -4.646 12.110 -3.348 1.00 0.00 N ATOM 810 CA GLU A 55 -5.708 11.763 -2.415 1.00 0.00 C ATOM 811 C GLU A 55 -6.726 10.873 -3.138 1.00 0.00 C ATOM 812 O GLU A 55 -7.047 11.097 -4.307 1.00 0.00 O ATOM 813 CB GLU A 55 -6.357 13.047 -1.888 1.00 0.00 C ATOM 814 CG GLU A 55 -7.542 12.778 -0.951 1.00 0.00 C ATOM 815 CD GLU A 55 -8.016 14.075 -0.302 1.00 0.00 C ATOM 816 OE1 GLU A 55 -8.526 14.954 -1.035 1.00 0.00 O ATOM 817 OE2 GLU A 55 -7.831 14.276 0.919 1.00 0.00 O ATOM 0 H GLU A 55 -4.665 13.079 -3.664 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.311 11.213 -1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.608 13.635 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.697 13.649 -2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.360 12.325 -1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.249 12.065 -0.180 1.00 0.00 H new ATOM 824 N ASP A 56 -7.276 9.900 -2.414 1.00 0.00 N ATOM 825 CA ASP A 56 -8.270 8.901 -2.817 1.00 0.00 C ATOM 826 C ASP A 56 -7.816 8.010 -3.981 1.00 0.00 C ATOM 827 O ASP A 56 -8.627 7.276 -4.559 1.00 0.00 O ATOM 828 CB ASP A 56 -9.663 9.540 -3.010 1.00 0.00 C ATOM 829 CG ASP A 56 -10.541 9.521 -1.755 1.00 0.00 C ATOM 830 OD1 ASP A 56 -10.454 8.595 -0.917 1.00 0.00 O ATOM 831 OD2 ASP A 56 -11.441 10.395 -1.673 1.00 0.00 O ATOM 0 H ASP A 56 -7.013 9.778 -1.436 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.368 8.200 -1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.535 10.573 -3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.183 9.016 -3.812 1.00 0.00 H new ATOM 836 N ASP A 57 -6.528 8.066 -4.332 1.00 0.00 N ATOM 837 CA ASP A 57 -5.916 7.288 -5.405 1.00 0.00 C ATOM 838 C ASP A 57 -5.744 5.838 -4.938 1.00 0.00 C ATOM 839 O ASP A 57 -5.687 5.573 -3.735 1.00 0.00 O ATOM 840 CB ASP A 57 -4.585 7.927 -5.807 1.00 0.00 C ATOM 841 CG ASP A 57 -4.300 7.734 -7.290 1.00 0.00 C ATOM 842 OD1 ASP A 57 -4.281 6.575 -7.759 1.00 0.00 O ATOM 843 OD2 ASP A 57 -4.102 8.746 -8.001 1.00 0.00 O ATOM 0 H ASP A 57 -5.862 8.677 -3.858 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.555 7.283 -6.288 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.606 8.992 -5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.778 7.489 -5.220 1.00 0.00 H new ATOM 848 N THR A 58 -5.707 4.873 -5.852 1.00 0.00 N ATOM 849 CA THR A 58 -5.582 3.455 -5.508 1.00 0.00 C ATOM 850 C THR A 58 -4.137 3.045 -5.254 1.00 0.00 C ATOM 851 O THR A 58 -3.246 3.372 -6.036 1.00 0.00 O ATOM 852 CB THR A 58 -6.203 2.616 -6.632 1.00 0.00 C ATOM 853 OG1 THR A 58 -7.510 3.096 -6.877 1.00 0.00 O ATOM 854 CG2 THR A 58 -6.335 1.136 -6.278 1.00 0.00 C ATOM 0 H THR A 58 -5.763 5.050 -6.855 1.00 0.00 H new ATOM 0 HA THR A 58 -6.116 3.278 -4.575 1.00 0.00 H new ATOM 0 HB THR A 58 -5.542 2.706 -7.494 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.922 2.571 -7.595 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.781 0.600 -7.116 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.349 0.723 -6.067 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.970 1.027 -5.398 1.00 0.00 H new ATOM 862 N ILE A 59 -3.898 2.319 -4.155 1.00 0.00 N ATOM 863 CA ILE A 59 -2.559 1.849 -3.828 1.00 0.00 C ATOM 864 C ILE A 59 -2.447 0.389 -4.245 1.00 0.00 C ATOM 865 O ILE A 59 -3.254 -0.450 -3.835 1.00 0.00 O ATOM 866 CB ILE A 59 -2.213 1.990 -2.333 1.00 0.00 C ATOM 867 CG1 ILE A 59 -2.451 3.394 -1.762 1.00 0.00 C ATOM 868 CG2 ILE A 59 -0.734 1.567 -2.119 1.00 0.00 C ATOM 869 CD1 ILE A 59 -1.662 4.458 -2.506 1.00 0.00 C ATOM 0 H ILE A 59 -4.616 2.048 -3.483 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.847 2.473 -4.368 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.893 1.336 -1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.514 3.630 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.172 3.408 -0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.477 1.663 -1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.603 0.531 -2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.082 2.210 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.863 5.435 -2.066 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.597 4.239 -2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.959 4.465 -3.555 1.00 0.00 H new ATOM 881 N MET A 60 -1.415 0.082 -5.022 1.00 0.00 N ATOM 882 CA MET A 60 -1.108 -1.253 -5.506 1.00 0.00 C ATOM 883 C MET A 60 0.316 -1.578 -5.028 1.00 0.00 C ATOM 884 O MET A 60 1.056 -0.687 -4.598 1.00 0.00 O ATOM 885 CB MET A 60 -1.199 -1.289 -7.035 1.00 0.00 C ATOM 886 CG MET A 60 -2.576 -0.866 -7.549 1.00 0.00 C ATOM 887 SD MET A 60 -2.968 -1.523 -9.189 1.00 0.00 S ATOM 888 CE MET A 60 -3.522 -3.176 -8.714 1.00 0.00 C ATOM 0 H MET A 60 -0.747 0.783 -5.342 1.00 0.00 H new ATOM 0 HA MET A 60 -1.815 -1.990 -5.125 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.439 -0.631 -7.457 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.978 -2.297 -7.385 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.336 -1.198 -6.842 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.624 0.222 -7.581 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.723 -3.764 -9.610 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.745 -3.665 -8.126 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.432 -3.098 -8.119 1.00 0.00 H new ATOM 898 N GLU A 61 0.743 -2.840 -5.120 1.00 0.00 N ATOM 899 CA GLU A 61 2.081 -3.256 -4.683 1.00 0.00 C ATOM 900 C GLU A 61 3.228 -2.563 -5.438 1.00 0.00 C ATOM 901 O GLU A 61 4.344 -2.465 -4.929 1.00 0.00 O ATOM 902 CB GLU A 61 2.217 -4.783 -4.799 1.00 0.00 C ATOM 903 CG GLU A 61 2.300 -5.280 -6.249 1.00 0.00 C ATOM 904 CD GLU A 61 2.574 -6.776 -6.312 1.00 0.00 C ATOM 905 OE1 GLU A 61 3.763 -7.164 -6.215 1.00 0.00 O ATOM 906 OE2 GLU A 61 1.599 -7.537 -6.497 1.00 0.00 O ATOM 0 H GLU A 61 0.176 -3.599 -5.497 1.00 0.00 H new ATOM 0 HA GLU A 61 2.174 -2.944 -3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.110 -5.103 -4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.365 -5.254 -4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.366 -5.058 -6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.089 -4.742 -6.774 1.00 0.00 H new ATOM 913 N GLU A 62 2.959 -2.082 -6.651 1.00 0.00 N ATOM 914 CA GLU A 62 3.910 -1.404 -7.524 1.00 0.00 C ATOM 915 C GLU A 62 4.187 0.046 -7.101 1.00 0.00 C ATOM 916 O GLU A 62 5.046 0.689 -7.704 1.00 0.00 O ATOM 917 CB GLU A 62 3.438 -1.539 -8.986 1.00 0.00 C ATOM 918 CG GLU A 62 1.997 -1.061 -9.247 1.00 0.00 C ATOM 919 CD GLU A 62 1.527 -1.432 -10.657 1.00 0.00 C ATOM 920 OE1 GLU A 62 1.425 -2.650 -10.951 1.00 0.00 O ATOM 921 OE2 GLU A 62 1.251 -0.521 -11.466 1.00 0.00 O ATOM 0 H GLU A 62 2.031 -2.159 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 62 4.880 -1.893 -7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.115 -0.972 -9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.518 -2.584 -9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.327 -1.505 -8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.942 0.020 -9.117 1.00 0.00 H new ATOM 928 N LEU A 63 3.490 0.566 -6.081 1.00 0.00 N ATOM 929 CA LEU A 63 3.670 1.934 -5.586 1.00 0.00 C ATOM 930 C LEU A 63 4.378 1.971 -4.230 1.00 0.00 C ATOM 931 O LEU A 63 4.541 3.055 -3.670 1.00 0.00 O ATOM 932 CB LEU A 63 2.320 2.669 -5.463 1.00 0.00 C ATOM 933 CG LEU A 63 1.387 2.619 -6.690 1.00 0.00 C ATOM 934 CD1 LEU A 63 0.224 3.593 -6.474 1.00 0.00 C ATOM 935 CD2 LEU A 63 2.069 2.947 -8.021 1.00 0.00 C ATOM 0 H LEU A 63 2.778 0.041 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 63 4.296 2.440 -6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.783 2.253 -4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.522 3.715 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 63 1.046 1.587 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.440 3.564 -7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.330 3.306 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.614 4.603 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.339 2.888 -8.828 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.483 3.954 -7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.871 2.232 -8.204 1.00 0.00 H new ATOM 947 N VAL A 64 4.785 0.826 -3.671 1.00 0.00 N ATOM 948 CA VAL A 64 5.447 0.755 -2.368 1.00 0.00 C ATOM 949 C VAL A 64 6.768 -0.017 -2.445 1.00 0.00 C ATOM 950 O VAL A 64 6.997 -0.790 -3.378 1.00 0.00 O ATOM 951 CB VAL A 64 4.475 0.180 -1.318 1.00 0.00 C ATOM 952 CG1 VAL A 64 3.199 1.014 -1.155 1.00 0.00 C ATOM 953 CG2 VAL A 64 4.043 -1.252 -1.637 1.00 0.00 C ATOM 0 H VAL A 64 4.662 -0.084 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 64 5.715 1.763 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 64 5.048 0.203 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.558 0.555 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.462 2.024 -0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.668 1.056 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.360 -1.606 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.541 -1.274 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.920 -1.898 -1.669 1.00 0.00 H new ATOM 963 N ASP A 65 7.644 0.216 -1.467 1.00 0.00 N ATOM 964 CA ASP A 65 8.963 -0.394 -1.345 1.00 0.00 C ATOM 965 C ASP A 65 8.919 -1.876 -0.973 1.00 0.00 C ATOM 966 O ASP A 65 7.925 -2.394 -0.446 1.00 0.00 O ATOM 967 CB ASP A 65 9.794 0.347 -0.275 1.00 0.00 C ATOM 968 CG ASP A 65 9.479 -0.090 1.165 1.00 0.00 C ATOM 969 OD1 ASP A 65 8.323 0.060 1.601 1.00 0.00 O ATOM 970 OD2 ASP A 65 10.397 -0.525 1.898 1.00 0.00 O ATOM 0 H ASP A 65 7.442 0.864 -0.706 1.00 0.00 H new ATOM 0 HA ASP A 65 9.420 -0.311 -2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.853 0.182 -0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.616 1.418 -0.367 1.00 0.00 H new