USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 722 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 Single : A 1 MET CE :methyl -140:sc= 0 (180deg=-0.0109) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0353 (180deg=-0.102) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0915) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.665 K(o=0.67,f=-0.018) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -32:sc= 0.194 USER MOD Single : A 23 THR OG1 : rot -99:sc= 0.418 USER MOD Single : A 24 GLN : amide:sc= -0.491 K(o=-0.49,f=-1.3!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.571 K(o=-0.57,f=-4.8!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.177 USER MOD Single : A 54 GLN : amide:sc= 0.0474 X(o=0.047,f=-0.29) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.0015) USER MOD Single : A 81 HIS : no HD1:sc= -0.0082 X(o=-0.0082,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0979 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.010 22.563 -1.392 1.00 0.00 N ATOM 2 CA MET A 1 5.309 21.332 -0.979 1.00 0.00 C ATOM 3 C MET A 1 6.297 20.219 -0.633 1.00 0.00 C ATOM 4 O MET A 1 7.369 20.145 -1.231 1.00 0.00 O ATOM 5 CB MET A 1 4.290 20.889 -2.039 1.00 0.00 C ATOM 6 CG MET A 1 4.946 20.359 -3.322 1.00 0.00 C ATOM 7 SD MET A 1 3.872 20.364 -4.782 1.00 0.00 S ATOM 8 CE MET A 1 3.928 22.128 -5.203 1.00 0.00 C ATOM 0 H1 MET A 1 5.533 22.973 -2.221 1.00 0.00 H new ATOM 0 H2 MET A 1 5.996 23.249 -0.611 1.00 0.00 H new ATOM 0 H3 MET A 1 6.995 22.336 -1.636 1.00 0.00 H new ATOM 0 HA MET A 1 4.749 21.555 -0.071 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.651 20.113 -1.618 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.646 21.732 -2.289 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.830 20.960 -3.536 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.289 19.340 -3.144 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.937 22.460 -5.513 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.246 22.700 -4.331 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.635 22.285 -6.018 1.00 0.00 H new ATOM 20 N SER A 2 5.932 19.377 0.342 1.00 0.00 N ATOM 21 CA SER A 2 6.771 18.302 0.870 1.00 0.00 C ATOM 22 C SER A 2 6.086 16.937 0.722 1.00 0.00 C ATOM 23 O SER A 2 6.755 15.942 0.456 1.00 0.00 O ATOM 24 CB SER A 2 7.102 18.603 2.337 1.00 0.00 C ATOM 25 OG SER A 2 8.089 17.716 2.818 1.00 0.00 O ATOM 0 H SER A 2 5.020 19.429 0.795 1.00 0.00 H new ATOM 0 HA SER A 2 7.696 18.254 0.296 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.452 19.631 2.432 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.201 18.516 2.944 1.00 0.00 H new ATOM 0 HG SER A 2 8.288 17.925 3.755 1.00 0.00 H new ATOM 31 N LYS A 3 4.760 16.887 0.911 1.00 0.00 N ATOM 32 CA LYS A 3 3.967 15.663 0.846 1.00 0.00 C ATOM 33 C LYS A 3 3.930 15.094 -0.575 1.00 0.00 C ATOM 34 O LYS A 3 3.460 15.755 -1.500 1.00 0.00 O ATOM 35 CB LYS A 3 2.538 15.947 1.328 1.00 0.00 C ATOM 36 CG LYS A 3 2.288 15.552 2.787 1.00 0.00 C ATOM 37 CD LYS A 3 3.242 16.213 3.792 1.00 0.00 C ATOM 38 CE LYS A 3 2.816 15.905 5.235 1.00 0.00 C ATOM 39 NZ LYS A 3 1.588 16.626 5.620 1.00 0.00 N ATOM 0 H LYS A 3 4.203 17.716 1.117 1.00 0.00 H new ATOM 0 HA LYS A 3 4.436 14.922 1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.329 17.010 1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.836 15.410 0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.263 15.812 3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.376 14.469 2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.258 15.856 3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.253 17.291 3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.654 14.832 5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.623 16.176 5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.441 16.539 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.682 17.631 5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.774 16.218 5.118 1.00 0.00 H new ATOM 53 N VAL A 4 4.415 13.856 -0.715 1.00 0.00 N ATOM 54 CA VAL A 4 4.599 13.157 -1.977 1.00 0.00 C ATOM 55 C VAL A 4 3.910 11.805 -1.865 1.00 0.00 C ATOM 56 O VAL A 4 4.535 10.803 -1.518 1.00 0.00 O ATOM 57 CB VAL A 4 6.101 13.057 -2.336 1.00 0.00 C ATOM 58 CG1 VAL A 4 7.029 12.611 -1.198 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.330 12.168 -3.570 1.00 0.00 C ATOM 0 H VAL A 4 4.701 13.295 0.088 1.00 0.00 H new ATOM 0 HA VAL A 4 4.144 13.706 -2.801 1.00 0.00 H new ATOM 0 HB VAL A 4 6.379 14.088 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.057 12.575 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.959 13.319 -0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.731 11.621 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.396 12.121 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.957 11.164 -3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.799 12.588 -4.425 1.00 0.00 H new ATOM 69 N CYS A 5 2.605 11.779 -2.137 1.00 0.00 N ATOM 70 CA CYS A 5 1.875 10.522 -2.120 1.00 0.00 C ATOM 71 C CYS A 5 2.122 9.762 -3.419 1.00 0.00 C ATOM 72 O CYS A 5 2.346 10.371 -4.463 1.00 0.00 O ATOM 73 CB CYS A 5 0.373 10.684 -1.837 1.00 0.00 C ATOM 74 SG CYS A 5 -0.161 12.130 -0.877 1.00 0.00 S ATOM 0 H CYS A 5 2.045 12.600 -2.367 1.00 0.00 H new ATOM 0 HA CYS A 5 2.261 9.941 -1.283 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.147 10.708 -2.795 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.033 9.791 -1.313 1.00 0.00 H new ATOM 79 N ILE A 6 2.104 8.430 -3.342 1.00 0.00 N ATOM 80 CA ILE A 6 2.303 7.575 -4.508 1.00 0.00 C ATOM 81 C ILE A 6 1.175 6.541 -4.568 1.00 0.00 C ATOM 82 O ILE A 6 0.480 6.328 -3.575 1.00 0.00 O ATOM 83 CB ILE A 6 3.721 6.952 -4.505 1.00 0.00 C ATOM 84 CG1 ILE A 6 4.205 6.426 -3.150 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.768 7.958 -5.008 1.00 0.00 C ATOM 86 CD1 ILE A 6 3.206 5.434 -2.571 1.00 0.00 C ATOM 0 H ILE A 6 1.952 7.918 -2.473 1.00 0.00 H new ATOM 0 HA ILE A 6 2.252 8.165 -5.423 1.00 0.00 H new ATOM 0 HB ILE A 6 3.623 6.095 -5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.176 5.946 -3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.342 7.258 -2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.754 7.494 -4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.522 8.260 -6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.771 8.834 -4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.568 5.072 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.243 5.925 -2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.091 4.593 -3.255 1.00 0.00 H new ATOM 98 N ILE A 7 0.988 5.908 -5.731 1.00 0.00 N ATOM 99 CA ILE A 7 0.054 4.802 -5.918 1.00 0.00 C ATOM 100 C ILE A 7 0.824 3.580 -6.420 1.00 0.00 C ATOM 101 O ILE A 7 1.560 3.672 -7.401 1.00 0.00 O ATOM 102 CB ILE A 7 -1.122 5.210 -6.826 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.079 4.017 -7.004 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.680 5.765 -8.189 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.490 4.452 -7.412 1.00 0.00 C ATOM 0 H ILE A 7 1.493 6.157 -6.582 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.404 4.533 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.640 6.029 -6.327 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.677 3.343 -7.761 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.131 3.455 -6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.559 6.032 -8.776 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.062 6.650 -8.038 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.105 5.007 -8.721 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.124 3.572 -7.524 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.906 5.104 -6.644 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.445 4.990 -8.359 1.00 0.00 H new ATOM 117 N ALA A 8 0.676 2.455 -5.710 1.00 0.00 N ATOM 118 CA ALA A 8 1.416 1.219 -5.915 1.00 0.00 C ATOM 119 C ALA A 8 0.450 0.090 -6.279 1.00 0.00 C ATOM 120 O ALA A 8 -0.232 -0.446 -5.404 1.00 0.00 O ATOM 121 CB ALA A 8 2.199 0.892 -4.639 1.00 0.00 C ATOM 0 H ALA A 8 0.005 2.386 -4.944 1.00 0.00 H new ATOM 0 HA ALA A 8 2.120 1.333 -6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.757 -0.033 -4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.892 1.704 -4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.505 0.772 -3.807 1.00 0.00 H new ATOM 127 N TRP A 9 0.404 -0.279 -7.566 1.00 0.00 N ATOM 128 CA TRP A 9 -0.409 -1.390 -8.051 1.00 0.00 C ATOM 129 C TRP A 9 0.361 -2.696 -7.904 1.00 0.00 C ATOM 130 O TRP A 9 1.401 -2.855 -8.538 1.00 0.00 O ATOM 131 CB TRP A 9 -0.766 -1.179 -9.525 1.00 0.00 C ATOM 132 CG TRP A 9 -1.668 -0.019 -9.770 1.00 0.00 C ATOM 133 CD1 TRP A 9 -2.978 0.013 -9.459 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.364 1.278 -10.353 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.499 1.258 -9.729 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.541 2.082 -10.286 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.222 1.849 -10.952 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -2.570 3.407 -10.743 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.269 3.153 -11.479 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.421 3.945 -11.339 1.00 0.00 C ATOM 0 H TRP A 9 0.934 0.191 -8.300 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.325 -1.436 -7.462 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.153 -1.038 -10.094 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.242 -2.083 -9.906 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.538 -0.818 -9.056 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.463 1.535 -9.543 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.695 1.281 -11.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.464 4.004 -10.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.591 3.550 -11.998 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.421 4.966 -11.690 1.00 0.00 H new ATOM 151 N VAL A 10 -0.162 -3.623 -7.092 1.00 0.00 N ATOM 152 CA VAL A 10 0.466 -4.911 -6.819 1.00 0.00 C ATOM 153 C VAL A 10 -0.215 -5.986 -7.667 1.00 0.00 C ATOM 154 O VAL A 10 -1.358 -6.354 -7.394 1.00 0.00 O ATOM 155 CB VAL A 10 0.397 -5.255 -5.318 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.370 -6.405 -5.022 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.753 -4.067 -4.414 1.00 0.00 C ATOM 0 H VAL A 10 -1.047 -3.492 -6.601 1.00 0.00 H new ATOM 0 HA VAL A 10 1.522 -4.861 -7.085 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.634 -5.536 -5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.327 -6.654 -3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.091 -7.278 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.384 -6.100 -5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.686 -4.372 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.769 -3.736 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.057 -3.248 -4.598 1.00 0.00 H new ATOM 167 N TYR A 11 0.493 -6.493 -8.685 1.00 0.00 N ATOM 168 CA TYR A 11 -0.005 -7.561 -9.551 1.00 0.00 C ATOM 169 C TYR A 11 0.128 -8.925 -8.867 1.00 0.00 C ATOM 170 O TYR A 11 0.857 -9.071 -7.885 1.00 0.00 O ATOM 171 CB TYR A 11 0.729 -7.569 -10.899 1.00 0.00 C ATOM 172 CG TYR A 11 0.615 -6.287 -11.701 1.00 0.00 C ATOM 173 CD1 TYR A 11 1.568 -5.268 -11.529 1.00 0.00 C ATOM 174 CD2 TYR A 11 -0.393 -6.139 -12.673 1.00 0.00 C ATOM 175 CE1 TYR A 11 1.527 -4.121 -12.333 1.00 0.00 C ATOM 176 CE2 TYR A 11 -0.431 -4.990 -13.484 1.00 0.00 C ATOM 177 CZ TYR A 11 0.539 -3.984 -13.321 1.00 0.00 C ATOM 178 OH TYR A 11 0.535 -2.879 -14.121 1.00 0.00 O ATOM 0 H TYR A 11 1.429 -6.171 -8.929 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.061 -7.368 -9.738 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.784 -7.774 -10.719 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.342 -8.391 -11.501 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.334 -5.369 -10.775 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.139 -6.910 -12.796 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.259 -3.339 -12.192 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.204 -4.880 -14.231 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.211 -2.936 -14.754 1.00 0.00 H new ATOM 188 N GLY A 12 -0.570 -9.929 -9.412 1.00 0.00 N ATOM 189 CA GLY A 12 -0.536 -11.297 -8.931 1.00 0.00 C ATOM 190 C GLY A 12 -1.613 -11.565 -7.886 1.00 0.00 C ATOM 191 O GLY A 12 -2.426 -10.692 -7.586 1.00 0.00 O ATOM 0 H GLY A 12 -1.184 -9.800 -10.216 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.669 -11.979 -9.771 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.444 -11.506 -8.502 1.00 0.00 H new ATOM 195 N ARG A 13 -1.632 -12.792 -7.350 1.00 0.00 N ATOM 196 CA ARG A 13 -2.721 -13.266 -6.508 1.00 0.00 C ATOM 197 C ARG A 13 -2.518 -12.839 -5.056 1.00 0.00 C ATOM 198 O ARG A 13 -2.034 -13.606 -4.224 1.00 0.00 O ATOM 199 CB ARG A 13 -2.898 -14.777 -6.634 1.00 0.00 C ATOM 200 CG ARG A 13 -3.094 -15.202 -8.097 1.00 0.00 C ATOM 201 CD ARG A 13 -3.777 -16.574 -8.169 1.00 0.00 C ATOM 202 NE ARG A 13 -4.135 -16.935 -9.550 1.00 0.00 N ATOM 203 CZ ARG A 13 -5.092 -17.816 -9.896 1.00 0.00 C ATOM 204 NH1 ARG A 13 -5.781 -18.487 -8.960 1.00 0.00 N ATOM 205 NH2 ARG A 13 -5.365 -18.028 -11.190 1.00 0.00 N ATOM 0 H ARG A 13 -0.891 -13.478 -7.492 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.643 -12.802 -6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.025 -15.282 -6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.758 -15.094 -6.044 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.698 -14.460 -8.620 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.129 -15.242 -8.603 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.113 -17.333 -7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.675 -16.566 -7.551 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.618 -16.482 -10.304 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.582 -18.332 -7.972 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.503 -19.152 -9.237 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.848 -17.523 -11.910 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.090 -18.695 -11.456 1.00 0.00 H new ATOM 219 N VAL A 14 -2.897 -11.588 -4.793 1.00 0.00 N ATOM 220 CA VAL A 14 -2.696 -10.891 -3.528 1.00 0.00 C ATOM 221 C VAL A 14 -4.031 -10.722 -2.790 1.00 0.00 C ATOM 222 O VAL A 14 -4.099 -10.955 -1.583 1.00 0.00 O ATOM 223 CB VAL A 14 -1.989 -9.549 -3.797 1.00 0.00 C ATOM 224 CG1 VAL A 14 -1.623 -8.845 -2.485 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.685 -9.775 -4.575 1.00 0.00 C ATOM 0 H VAL A 14 -3.372 -11.011 -5.487 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.055 -11.479 -2.872 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.681 -8.934 -4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.125 -7.901 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.529 -8.652 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.954 -9.481 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.199 -8.816 -4.756 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.021 -10.415 -3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.908 -10.255 -5.528 1.00 0.00 H new ATOM 235 N GLN A 15 -5.094 -10.323 -3.504 1.00 0.00 N ATOM 236 CA GLN A 15 -6.436 -10.210 -2.941 1.00 0.00 C ATOM 237 C GLN A 15 -6.981 -11.586 -2.542 1.00 0.00 C ATOM 238 O GLN A 15 -6.576 -12.608 -3.094 1.00 0.00 O ATOM 239 CB GLN A 15 -7.376 -9.483 -3.911 1.00 0.00 C ATOM 240 CG GLN A 15 -7.638 -10.229 -5.221 1.00 0.00 C ATOM 241 CD GLN A 15 -8.653 -9.471 -6.073 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.687 -10.022 -6.441 1.00 0.00 O ATOM 243 NE2 GLN A 15 -8.384 -8.197 -6.365 1.00 0.00 N ATOM 0 H GLN A 15 -5.041 -10.070 -4.491 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.377 -9.610 -2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.328 -9.308 -3.411 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.953 -8.506 -4.143 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.705 -10.345 -5.773 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.009 -11.231 -5.008 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.515 -7.772 -6.042 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.048 -7.648 -6.911 1.00 0.00 H new ATOM 252 N GLY A 16 -7.896 -11.601 -1.568 1.00 0.00 N ATOM 253 CA GLY A 16 -8.522 -12.812 -1.058 1.00 0.00 C ATOM 254 C GLY A 16 -7.558 -13.732 -0.298 1.00 0.00 C ATOM 255 O GLY A 16 -7.882 -14.897 -0.083 1.00 0.00 O ATOM 0 H GLY A 16 -8.225 -10.753 -1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.343 -12.535 -0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.956 -13.364 -1.891 1.00 0.00 H new ATOM 259 N VAL A 17 -6.400 -13.209 0.130 1.00 0.00 N ATOM 260 CA VAL A 17 -5.450 -13.893 1.001 1.00 0.00 C ATOM 261 C VAL A 17 -5.572 -13.317 2.414 1.00 0.00 C ATOM 262 O VAL A 17 -5.568 -14.066 3.390 1.00 0.00 O ATOM 263 CB VAL A 17 -4.021 -13.743 0.446 1.00 0.00 C ATOM 264 CG1 VAL A 17 -2.990 -14.395 1.377 1.00 0.00 C ATOM 265 CG2 VAL A 17 -3.906 -14.384 -0.944 1.00 0.00 C ATOM 0 H VAL A 17 -6.095 -12.271 -0.131 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.673 -14.959 1.040 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.815 -12.675 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.992 -14.272 0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.033 -13.920 2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.212 -15.457 1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.888 -14.266 -1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.147 -15.445 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.601 -13.897 -1.628 1.00 0.00 H new ATOM 275 N GLY A 18 -5.673 -11.986 2.508 1.00 0.00 N ATOM 276 CA GLY A 18 -5.730 -11.222 3.740 1.00 0.00 C ATOM 277 C GLY A 18 -4.454 -10.404 3.944 1.00 0.00 C ATOM 278 O GLY A 18 -4.042 -10.187 5.081 1.00 0.00 O ATOM 0 H GLY A 18 -5.719 -11.392 1.680 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.592 -10.556 3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.871 -11.898 4.584 1.00 0.00 H new ATOM 282 N PHE A 19 -3.844 -9.942 2.843 1.00 0.00 N ATOM 283 CA PHE A 19 -2.607 -9.167 2.839 1.00 0.00 C ATOM 284 C PHE A 19 -2.687 -7.939 3.747 1.00 0.00 C ATOM 285 O PHE A 19 -1.694 -7.552 4.356 1.00 0.00 O ATOM 286 CB PHE A 19 -2.285 -8.745 1.398 1.00 0.00 C ATOM 287 CG PHE A 19 -0.805 -8.532 1.147 1.00 0.00 C ATOM 288 CD1 PHE A 19 -0.185 -7.329 1.534 1.00 0.00 C ATOM 289 CD2 PHE A 19 -0.027 -9.578 0.616 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.209 -7.190 1.423 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.359 -9.413 0.446 1.00 0.00 C ATOM 292 CZ PHE A 19 1.979 -8.224 0.866 1.00 0.00 C ATOM 0 H PHE A 19 -4.213 -10.105 1.906 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.811 -9.798 3.234 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.656 -9.508 0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.821 -7.824 1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.780 -6.513 1.916 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.496 -10.510 0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.689 -6.286 1.767 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.946 -10.199 -0.007 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.047 -8.105 0.761 1.00 0.00 H new ATOM 302 N ARG A 20 -3.877 -7.333 3.822 1.00 0.00 N ATOM 303 CA ARG A 20 -4.166 -6.134 4.594 1.00 0.00 C ATOM 304 C ARG A 20 -4.266 -6.425 6.101 1.00 0.00 C ATOM 305 O ARG A 20 -5.253 -6.067 6.741 1.00 0.00 O ATOM 306 CB ARG A 20 -5.425 -5.448 4.029 1.00 0.00 C ATOM 307 CG ARG A 20 -6.727 -6.271 4.085 1.00 0.00 C ATOM 308 CD ARG A 20 -7.081 -6.953 2.758 1.00 0.00 C ATOM 309 NE ARG A 20 -8.404 -7.588 2.840 1.00 0.00 N ATOM 310 CZ ARG A 20 -8.886 -8.492 1.970 1.00 0.00 C ATOM 311 NH1 ARG A 20 -8.145 -8.916 0.937 1.00 0.00 N ATOM 312 NH2 ARG A 20 -10.125 -8.973 2.136 1.00 0.00 N ATOM 0 H ARG A 20 -4.694 -7.684 3.323 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.331 -5.440 4.493 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.583 -4.518 4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.233 -5.180 2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.633 -7.031 4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.548 -5.617 4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.073 -6.219 1.952 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.327 -7.701 2.515 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.005 -7.321 3.620 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.202 -8.552 0.803 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.524 -9.603 0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.696 -8.653 2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.498 -9.659 1.480 1.00 0.00 H new ATOM 326 N TYR A 21 -3.230 -7.053 6.671 1.00 0.00 N ATOM 327 CA TYR A 21 -3.183 -7.467 8.065 1.00 0.00 C ATOM 328 C TYR A 21 -2.493 -6.385 8.895 1.00 0.00 C ATOM 329 O TYR A 21 -3.155 -5.632 9.607 1.00 0.00 O ATOM 330 CB TYR A 21 -2.490 -8.836 8.163 1.00 0.00 C ATOM 331 CG TYR A 21 -2.716 -9.551 9.481 1.00 0.00 C ATOM 332 CD1 TYR A 21 -1.860 -9.324 10.575 1.00 0.00 C ATOM 333 CD2 TYR A 21 -3.797 -10.442 9.611 1.00 0.00 C ATOM 334 CE1 TYR A 21 -2.087 -9.986 11.794 1.00 0.00 C ATOM 335 CE2 TYR A 21 -4.020 -11.107 10.828 1.00 0.00 C ATOM 336 CZ TYR A 21 -3.167 -10.878 11.921 1.00 0.00 C ATOM 337 OH TYR A 21 -3.386 -11.518 13.106 1.00 0.00 O ATOM 0 H TYR A 21 -2.382 -7.290 6.155 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.188 -7.585 8.471 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.847 -9.471 7.352 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.419 -8.700 8.014 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.029 -8.641 10.478 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.457 -10.615 8.774 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.431 -9.810 12.634 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.847 -11.795 10.924 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.172 -12.097 13.025 1.00 0.00 H new ATOM 347 N THR A 22 -1.162 -6.296 8.783 1.00 0.00 N ATOM 348 CA THR A 22 -0.348 -5.325 9.505 1.00 0.00 C ATOM 349 C THR A 22 -0.380 -3.943 8.843 1.00 0.00 C ATOM 350 O THR A 22 0.089 -2.988 9.455 1.00 0.00 O ATOM 351 CB THR A 22 1.090 -5.850 9.662 1.00 0.00 C ATOM 352 OG1 THR A 22 1.823 -5.015 10.534 1.00 0.00 O ATOM 353 CG2 THR A 22 1.825 -5.942 8.323 1.00 0.00 C ATOM 0 H THR A 22 -0.617 -6.909 8.177 1.00 0.00 H new ATOM 0 HA THR A 22 -0.776 -5.198 10.499 1.00 0.00 H new ATOM 0 HB THR A 22 1.015 -6.855 10.077 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.505 -4.092 10.447 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.835 -6.317 8.487 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.289 -6.621 7.660 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.875 -4.953 7.867 1.00 0.00 H new ATOM 361 N THR A 23 -0.905 -3.827 7.612 1.00 0.00 N ATOM 362 CA THR A 23 -0.952 -2.574 6.858 1.00 0.00 C ATOM 363 C THR A 23 -1.396 -1.380 7.718 1.00 0.00 C ATOM 364 O THR A 23 -0.767 -0.324 7.681 1.00 0.00 O ATOM 365 CB THR A 23 -1.822 -2.758 5.602 1.00 0.00 C ATOM 366 OG1 THR A 23 -1.657 -1.655 4.737 1.00 0.00 O ATOM 367 CG2 THR A 23 -3.313 -2.942 5.896 1.00 0.00 C ATOM 0 H THR A 23 -1.313 -4.615 7.110 1.00 0.00 H new ATOM 0 HA THR A 23 0.061 -2.329 6.539 1.00 0.00 H new ATOM 0 HB THR A 23 -1.477 -3.681 5.135 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.399 -1.028 4.862 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.856 -3.065 4.959 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.455 -3.827 6.517 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.691 -2.065 6.422 1.00 0.00 H new ATOM 375 N GLN A 24 -2.444 -1.579 8.532 1.00 0.00 N ATOM 376 CA GLN A 24 -2.935 -0.644 9.531 1.00 0.00 C ATOM 377 C GLN A 24 -1.818 -0.281 10.506 1.00 0.00 C ATOM 378 O GLN A 24 -1.418 0.877 10.602 1.00 0.00 O ATOM 379 CB GLN A 24 -4.086 -1.327 10.282 1.00 0.00 C ATOM 380 CG GLN A 24 -5.337 -1.409 9.403 1.00 0.00 C ATOM 381 CD GLN A 24 -6.135 -0.115 9.379 1.00 0.00 C ATOM 382 OE1 GLN A 24 -6.105 0.679 10.316 1.00 0.00 O ATOM 383 NE2 GLN A 24 -6.875 0.085 8.295 1.00 0.00 N ATOM 0 H GLN A 24 -2.991 -2.439 8.503 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.280 0.274 9.055 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.784 -2.329 10.586 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.312 -0.772 11.193 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.043 -1.666 8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.975 -2.216 9.764 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.870 -0.601 7.540 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.449 0.925 8.217 1.00 0.00 H new ATOM 392 N TYR A 25 -1.348 -1.292 11.240 1.00 0.00 N ATOM 393 CA TYR A 25 -0.375 -1.187 12.312 1.00 0.00 C ATOM 394 C TYR A 25 0.867 -0.407 11.876 1.00 0.00 C ATOM 395 O TYR A 25 1.223 0.587 12.505 1.00 0.00 O ATOM 396 CB TYR A 25 -0.013 -2.607 12.781 1.00 0.00 C ATOM 397 CG TYR A 25 0.143 -2.731 14.280 1.00 0.00 C ATOM 398 CD1 TYR A 25 -0.999 -2.899 15.086 1.00 0.00 C ATOM 399 CD2 TYR A 25 1.416 -2.665 14.870 1.00 0.00 C ATOM 400 CE1 TYR A 25 -0.865 -3.009 16.480 1.00 0.00 C ATOM 401 CE2 TYR A 25 1.549 -2.779 16.265 1.00 0.00 C ATOM 402 CZ TYR A 25 0.409 -2.950 17.070 1.00 0.00 C ATOM 403 OH TYR A 25 0.544 -3.059 18.423 1.00 0.00 O ATOM 0 H TYR A 25 -1.656 -2.253 11.089 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.809 -0.627 13.140 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.786 -3.299 12.447 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.917 -2.912 12.301 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.978 -2.943 14.633 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.291 -2.527 14.253 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.741 -3.139 17.098 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.528 -2.735 16.719 1.00 0.00 H new ATOM 0 HH TYR A 25 1.492 -2.999 18.663 1.00 0.00 H new ATOM 413 N GLU A 26 1.508 -0.870 10.798 1.00 0.00 N ATOM 414 CA GLU A 26 2.727 -0.284 10.252 1.00 0.00 C ATOM 415 C GLU A 26 2.498 1.193 9.941 1.00 0.00 C ATOM 416 O GLU A 26 3.223 2.053 10.437 1.00 0.00 O ATOM 417 CB GLU A 26 3.158 -1.061 8.991 1.00 0.00 C ATOM 418 CG GLU A 26 4.498 -1.784 9.182 1.00 0.00 C ATOM 419 CD GLU A 26 5.665 -0.828 9.431 1.00 0.00 C ATOM 420 OE1 GLU A 26 5.632 0.286 8.863 1.00 0.00 O ATOM 421 OE2 GLU A 26 6.574 -1.231 10.188 1.00 0.00 O ATOM 0 H GLU A 26 1.183 -1.681 10.272 1.00 0.00 H new ATOM 0 HA GLU A 26 3.529 -0.354 10.987 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.388 -1.789 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.237 -0.371 8.151 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.415 -2.474 10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.710 -2.384 8.297 1.00 0.00 H new ATOM 428 N ALA A 27 1.461 1.473 9.142 1.00 0.00 N ATOM 429 CA ALA A 27 1.068 2.822 8.764 1.00 0.00 C ATOM 430 C ALA A 27 0.911 3.733 9.983 1.00 0.00 C ATOM 431 O ALA A 27 1.271 4.906 9.929 1.00 0.00 O ATOM 432 CB ALA A 27 -0.242 2.759 7.970 1.00 0.00 C ATOM 0 H ALA A 27 0.866 0.751 8.737 1.00 0.00 H new ATOM 0 HA ALA A 27 1.857 3.250 8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.543 3.767 7.683 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.096 2.155 7.074 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.020 2.310 8.587 1.00 0.00 H new ATOM 438 N LYS A 28 0.383 3.178 11.081 1.00 0.00 N ATOM 439 CA LYS A 28 0.148 3.880 12.336 1.00 0.00 C ATOM 440 C LYS A 28 1.451 4.334 13.007 1.00 0.00 C ATOM 441 O LYS A 28 1.456 5.374 13.662 1.00 0.00 O ATOM 442 CB LYS A 28 -0.688 2.992 13.272 1.00 0.00 C ATOM 443 CG LYS A 28 -2.001 3.663 13.691 1.00 0.00 C ATOM 444 CD LYS A 28 -2.920 2.610 14.322 1.00 0.00 C ATOM 445 CE LYS A 28 -4.254 3.204 14.785 1.00 0.00 C ATOM 446 NZ LYS A 28 -4.101 4.021 16.001 1.00 0.00 N ATOM 0 H LYS A 28 0.101 2.198 11.115 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.409 4.791 12.116 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.908 2.048 12.773 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.104 2.754 14.161 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.804 4.465 14.402 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.485 4.116 12.826 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.110 1.817 13.599 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.414 2.152 15.172 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.675 3.816 13.987 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.963 2.398 14.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.027 4.404 16.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.724 3.431 16.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.445 4.805 15.812 1.00 0.00 H new ATOM 460 N ARG A 29 2.549 3.580 12.847 1.00 0.00 N ATOM 461 CA ARG A 29 3.858 3.980 13.356 1.00 0.00 C ATOM 462 C ARG A 29 4.332 5.246 12.644 1.00 0.00 C ATOM 463 O ARG A 29 4.824 6.171 13.286 1.00 0.00 O ATOM 464 CB ARG A 29 4.901 2.863 13.173 1.00 0.00 C ATOM 465 CG ARG A 29 4.502 1.506 13.765 1.00 0.00 C ATOM 466 CD ARG A 29 4.372 1.533 15.295 1.00 0.00 C ATOM 467 NE ARG A 29 5.441 0.775 15.959 1.00 0.00 N ATOM 468 CZ ARG A 29 5.515 -0.567 16.008 1.00 0.00 C ATOM 469 NH1 ARG A 29 4.613 -1.324 15.368 1.00 0.00 N ATOM 470 NH2 ARG A 29 6.500 -1.153 16.702 1.00 0.00 N ATOM 0 H ARG A 29 2.549 2.682 12.363 1.00 0.00 H new ATOM 0 HA ARG A 29 3.753 4.176 14.423 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.093 2.736 12.108 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.838 3.182 13.630 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.553 1.191 13.331 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.245 0.760 13.482 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.394 2.566 15.641 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.405 1.121 15.583 1.00 0.00 H new ATOM 0 HE ARG A 29 6.182 1.306 16.417 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.862 -0.883 14.838 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.678 -2.341 15.411 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.190 -0.582 17.190 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.560 -2.170 16.742 1.00 0.00 H new ATOM 484 N LEU A 30 4.184 5.276 11.316 1.00 0.00 N ATOM 485 CA LEU A 30 4.620 6.394 10.490 1.00 0.00 C ATOM 486 C LEU A 30 3.699 7.603 10.660 1.00 0.00 C ATOM 487 O LEU A 30 4.161 8.742 10.615 1.00 0.00 O ATOM 488 CB LEU A 30 4.654 5.956 9.023 1.00 0.00 C ATOM 489 CG LEU A 30 5.498 4.695 8.776 1.00 0.00 C ATOM 490 CD1 LEU A 30 5.274 4.227 7.338 1.00 0.00 C ATOM 491 CD2 LEU A 30 6.989 4.950 9.023 1.00 0.00 C ATOM 0 H LEU A 30 3.755 4.518 10.785 1.00 0.00 H new ATOM 0 HA LEU A 30 5.619 6.693 10.808 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.635 5.773 8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.050 6.772 8.418 1.00 0.00 H new ATOM 0 HG LEU A 30 5.183 3.923 9.478 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.868 3.332 7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.218 4.000 7.190 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.576 5.015 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.550 4.034 8.838 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.340 5.733 8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.138 5.264 10.056 1.00 0.00 H new ATOM 503 N GLY A 31 2.396 7.350 10.830 1.00 0.00 N ATOM 504 CA GLY A 31 1.365 8.370 10.907 1.00 0.00 C ATOM 505 C GLY A 31 0.910 8.846 9.528 1.00 0.00 C ATOM 506 O GLY A 31 0.312 9.916 9.421 1.00 0.00 O ATOM 0 H GLY A 31 2.029 6.403 10.919 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.508 7.976 11.453 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.741 9.220 11.476 1.00 0.00 H new ATOM 510 N LEU A 32 1.185 8.060 8.482 1.00 0.00 N ATOM 511 CA LEU A 32 0.769 8.362 7.119 1.00 0.00 C ATOM 512 C LEU A 32 -0.659 7.881 6.871 1.00 0.00 C ATOM 513 O LEU A 32 -1.246 7.188 7.704 1.00 0.00 O ATOM 514 CB LEU A 32 1.800 7.844 6.103 1.00 0.00 C ATOM 515 CG LEU A 32 1.553 6.467 5.465 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.766 6.124 4.608 1.00 0.00 C ATOM 517 CD2 LEU A 32 1.380 5.345 6.483 1.00 0.00 C ATOM 0 H LEU A 32 1.708 7.188 8.564 1.00 0.00 H new ATOM 0 HA LEU A 32 0.742 9.442 6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.874 8.576 5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.771 7.814 6.598 1.00 0.00 H new ATOM 0 HG LEU A 32 0.627 6.539 4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.618 5.150 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.891 6.881 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.658 6.095 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.209 4.403 5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.280 5.264 7.092 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.526 5.564 7.124 1.00 0.00 H new ATOM 529 N THR A 33 -1.231 8.290 5.737 1.00 0.00 N ATOM 530 CA THR A 33 -2.643 8.097 5.451 1.00 0.00 C ATOM 531 C THR A 33 -2.770 7.089 4.310 1.00 0.00 C ATOM 532 O THR A 33 -1.830 6.335 4.059 1.00 0.00 O ATOM 533 CB THR A 33 -3.258 9.463 5.119 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.695 9.987 3.934 1.00 0.00 O ATOM 535 CG2 THR A 33 -3.056 10.464 6.263 1.00 0.00 C ATOM 0 H THR A 33 -0.721 8.765 4.992 1.00 0.00 H new ATOM 0 HA THR A 33 -3.186 7.692 6.305 1.00 0.00 H new ATOM 0 HB THR A 33 -4.328 9.310 4.977 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.100 10.857 3.736 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.504 11.420 5.993 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.530 10.083 7.168 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.990 10.601 6.443 1.00 0.00 H new ATOM 543 N GLY A 34 -3.898 7.101 3.589 1.00 0.00 N ATOM 544 CA GLY A 34 -4.030 6.398 2.324 1.00 0.00 C ATOM 545 C GLY A 34 -5.076 5.306 2.396 1.00 0.00 C ATOM 546 O GLY A 34 -5.989 5.364 3.217 1.00 0.00 O ATOM 0 H GLY A 34 -4.740 7.601 3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.297 7.107 1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.069 5.964 2.047 1.00 0.00 H new ATOM 550 N TYR A 35 -4.925 4.307 1.524 1.00 0.00 N ATOM 551 CA TYR A 35 -5.765 3.121 1.575 1.00 0.00 C ATOM 552 C TYR A 35 -5.238 1.972 0.721 1.00 0.00 C ATOM 553 O TYR A 35 -4.543 2.191 -0.270 1.00 0.00 O ATOM 554 CB TYR A 35 -7.212 3.444 1.176 1.00 0.00 C ATOM 555 CG TYR A 35 -7.377 3.909 -0.263 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.425 2.972 -1.312 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.380 5.285 -0.561 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.449 3.407 -2.649 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.430 5.719 -1.897 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.457 4.780 -2.942 1.00 0.00 C ATOM 561 OH TYR A 35 -7.488 5.205 -4.239 1.00 0.00 O ATOM 0 H TYR A 35 -4.229 4.301 0.778 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.741 2.790 2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.826 2.557 1.331 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.596 4.217 1.841 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.443 1.915 -1.089 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.344 6.009 0.239 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.461 2.684 -3.451 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.448 6.775 -2.121 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.490 6.185 -4.262 1.00 0.00 H new ATOM 571 N ALA A 36 -5.624 0.752 1.114 1.00 0.00 N ATOM 572 CA ALA A 36 -5.339 -0.488 0.406 1.00 0.00 C ATOM 573 C ALA A 36 -6.637 -1.093 -0.140 1.00 0.00 C ATOM 574 O ALA A 36 -7.341 -1.789 0.593 1.00 0.00 O ATOM 575 CB ALA A 36 -4.639 -1.454 1.363 1.00 0.00 C ATOM 0 H ALA A 36 -6.163 0.603 1.967 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.683 -0.292 -0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.421 -2.387 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.709 -1.008 1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.288 -1.657 2.215 1.00 0.00 H new ATOM 581 N LYS A 37 -6.953 -0.827 -1.417 1.00 0.00 N ATOM 582 CA LYS A 37 -8.120 -1.390 -2.101 1.00 0.00 C ATOM 583 C LYS A 37 -7.722 -2.536 -3.024 1.00 0.00 C ATOM 584 O LYS A 37 -6.539 -2.821 -3.183 1.00 0.00 O ATOM 585 CB LYS A 37 -8.903 -0.300 -2.858 1.00 0.00 C ATOM 586 CG LYS A 37 -10.273 -0.159 -2.190 1.00 0.00 C ATOM 587 CD LYS A 37 -11.184 0.935 -2.751 1.00 0.00 C ATOM 588 CE LYS A 37 -10.790 2.332 -2.252 1.00 0.00 C ATOM 589 NZ LYS A 37 -11.978 3.114 -1.869 1.00 0.00 N ATOM 0 H LYS A 37 -6.397 -0.208 -2.007 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.784 -1.801 -1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.364 0.647 -2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.016 -0.570 -3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.794 -1.113 -2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.119 0.033 -1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.144 0.916 -3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.216 0.727 -2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.120 2.240 -1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.241 2.859 -3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.682 4.054 -1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.604 3.220 -2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.487 2.621 -1.108 1.00 0.00 H new ATOM 603 N ASN A 38 -8.724 -3.206 -3.608 1.00 0.00 N ATOM 604 CA ASN A 38 -8.537 -4.356 -4.485 1.00 0.00 C ATOM 605 C ASN A 38 -9.237 -4.094 -5.821 1.00 0.00 C ATOM 606 O ASN A 38 -10.392 -3.674 -5.842 1.00 0.00 O ATOM 607 CB ASN A 38 -9.049 -5.655 -3.839 1.00 0.00 C ATOM 608 CG ASN A 38 -8.473 -5.998 -2.467 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.746 -5.233 -1.841 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.814 -7.190 -1.983 1.00 0.00 N ATOM 0 H ASN A 38 -9.704 -2.954 -3.478 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.469 -4.490 -4.658 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.133 -5.588 -3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.836 -6.482 -4.517 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.469 -7.487 -1.070 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.420 -7.806 -2.525 1.00 0.00 H new ATOM 617 N LEU A 39 -8.527 -4.353 -6.925 1.00 0.00 N ATOM 618 CA LEU A 39 -9.039 -4.281 -8.288 1.00 0.00 C ATOM 619 C LEU A 39 -10.004 -5.434 -8.566 1.00 0.00 C ATOM 620 O LEU A 39 -10.135 -6.366 -7.773 1.00 0.00 O ATOM 621 CB LEU A 39 -7.875 -4.327 -9.300 1.00 0.00 C ATOM 622 CG LEU A 39 -7.218 -2.968 -9.587 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.977 -3.176 -10.462 1.00 0.00 C ATOM 624 CD2 LEU A 39 -8.185 -2.029 -10.320 1.00 0.00 C ATOM 0 H LEU A 39 -7.545 -4.628 -6.887 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.576 -3.339 -8.398 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.113 -5.011 -8.926 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.244 -4.742 -10.238 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.944 -2.516 -8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.510 -2.212 -10.666 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.268 -3.820 -9.941 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.269 -3.644 -11.402 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.692 -1.075 -10.510 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.481 -2.479 -11.268 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.069 -1.865 -9.704 1.00 0.00 H new ATOM 636 N ASP A 40 -10.655 -5.362 -9.730 1.00 0.00 N ATOM 637 CA ASP A 40 -11.618 -6.343 -10.212 1.00 0.00 C ATOM 638 C ASP A 40 -10.964 -7.372 -11.144 1.00 0.00 C ATOM 639 O ASP A 40 -11.676 -8.072 -11.860 1.00 0.00 O ATOM 640 CB ASP A 40 -12.750 -5.598 -10.935 1.00 0.00 C ATOM 641 CG ASP A 40 -13.407 -4.551 -10.038 1.00 0.00 C ATOM 642 OD1 ASP A 40 -14.082 -4.971 -9.073 1.00 0.00 O ATOM 643 OD2 ASP A 40 -13.213 -3.350 -10.327 1.00 0.00 O ATOM 0 H ASP A 40 -10.518 -4.590 -10.382 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.016 -6.898 -9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.354 -5.114 -11.828 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.501 -6.314 -11.268 1.00 0.00 H new ATOM 648 N ASP A 41 -9.624 -7.463 -11.148 1.00 0.00 N ATOM 649 CA ASP A 41 -8.864 -8.321 -12.053 1.00 0.00 C ATOM 650 C ASP A 41 -8.073 -9.394 -11.299 1.00 0.00 C ATOM 651 O ASP A 41 -7.807 -10.459 -11.853 1.00 0.00 O ATOM 652 CB ASP A 41 -7.960 -7.445 -12.930 1.00 0.00 C ATOM 653 CG ASP A 41 -7.325 -8.244 -14.064 1.00 0.00 C ATOM 654 OD1 ASP A 41 -8.049 -8.504 -15.049 1.00 0.00 O ATOM 655 OD2 ASP A 41 -6.127 -8.575 -13.927 1.00 0.00 O ATOM 0 H ASP A 41 -9.034 -6.930 -10.509 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.558 -8.864 -12.694 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.543 -6.623 -13.346 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.177 -7.001 -12.315 1.00 0.00 H new ATOM 660 N GLY A 42 -7.718 -9.124 -10.035 1.00 0.00 N ATOM 661 CA GLY A 42 -6.984 -10.033 -9.171 1.00 0.00 C ATOM 662 C GLY A 42 -5.901 -9.361 -8.325 1.00 0.00 C ATOM 663 O GLY A 42 -5.152 -10.056 -7.645 1.00 0.00 O ATOM 0 H GLY A 42 -7.945 -8.239 -9.581 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.689 -10.533 -8.507 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.521 -10.806 -9.785 1.00 0.00 H new ATOM 667 N SER A 43 -5.794 -8.030 -8.394 1.00 0.00 N ATOM 668 CA SER A 43 -4.657 -7.253 -7.901 1.00 0.00 C ATOM 669 C SER A 43 -5.076 -6.227 -6.839 1.00 0.00 C ATOM 670 O SER A 43 -6.268 -6.021 -6.622 1.00 0.00 O ATOM 671 CB SER A 43 -3.976 -6.601 -9.112 1.00 0.00 C ATOM 672 OG SER A 43 -4.917 -6.218 -10.093 1.00 0.00 O ATOM 0 H SER A 43 -6.521 -7.447 -8.808 1.00 0.00 H new ATOM 0 HA SER A 43 -3.949 -7.909 -7.394 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.413 -5.727 -8.786 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.260 -7.298 -9.547 1.00 0.00 H new ATOM 0 HG SER A 43 -4.451 -5.805 -10.850 1.00 0.00 H new ATOM 678 N VAL A 44 -4.092 -5.642 -6.134 1.00 0.00 N ATOM 679 CA VAL A 44 -4.302 -4.804 -4.950 1.00 0.00 C ATOM 680 C VAL A 44 -3.667 -3.416 -5.131 1.00 0.00 C ATOM 681 O VAL A 44 -2.487 -3.329 -5.456 1.00 0.00 O ATOM 682 CB VAL A 44 -3.734 -5.543 -3.721 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.756 -4.685 -2.447 1.00 0.00 C ATOM 684 CG2 VAL A 44 -4.565 -6.806 -3.448 1.00 0.00 C ATOM 0 H VAL A 44 -3.108 -5.744 -6.381 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.368 -4.634 -4.801 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.698 -5.785 -3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.345 -5.257 -1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.156 -3.788 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.783 -4.400 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.162 -7.326 -2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.600 -6.526 -3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.523 -7.464 -4.316 1.00 0.00 H new ATOM 694 N GLU A 45 -4.433 -2.339 -4.901 1.00 0.00 N ATOM 695 CA GLU A 45 -4.000 -0.951 -5.049 1.00 0.00 C ATOM 696 C GLU A 45 -3.683 -0.312 -3.692 1.00 0.00 C ATOM 697 O GLU A 45 -4.603 -0.060 -2.913 1.00 0.00 O ATOM 698 CB GLU A 45 -5.111 -0.125 -5.710 1.00 0.00 C ATOM 699 CG GLU A 45 -5.719 -0.809 -6.933 1.00 0.00 C ATOM 700 CD GLU A 45 -6.497 0.198 -7.779 1.00 0.00 C ATOM 701 OE1 GLU A 45 -7.428 0.812 -7.213 1.00 0.00 O ATOM 702 OE2 GLU A 45 -6.137 0.353 -8.965 1.00 0.00 O ATOM 0 H GLU A 45 -5.403 -2.419 -4.597 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.100 -0.957 -5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.897 0.066 -4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.708 0.844 -6.006 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.930 -1.263 -7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.381 -1.614 -6.615 1.00 0.00 H new ATOM 709 N VAL A 46 -2.406 -0.014 -3.419 1.00 0.00 N ATOM 710 CA VAL A 46 -1.979 0.591 -2.153 1.00 0.00 C ATOM 711 C VAL A 46 -1.568 2.050 -2.375 1.00 0.00 C ATOM 712 O VAL A 46 -0.806 2.323 -3.297 1.00 0.00 O ATOM 713 CB VAL A 46 -0.811 -0.212 -1.557 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.430 0.323 -0.169 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.169 -1.699 -1.429 1.00 0.00 C ATOM 0 H VAL A 46 -1.640 -0.186 -4.071 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.813 0.571 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 46 0.034 -0.101 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.398 -0.261 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.131 1.368 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.287 0.243 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.324 -2.241 -1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.036 -1.810 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.402 -2.103 -2.414 1.00 0.00 H new ATOM 725 N VAL A 47 -2.046 2.978 -1.536 1.00 0.00 N ATOM 726 CA VAL A 47 -1.770 4.417 -1.662 1.00 0.00 C ATOM 727 C VAL A 47 -1.304 4.987 -0.314 1.00 0.00 C ATOM 728 O VAL A 47 -1.801 4.534 0.716 1.00 0.00 O ATOM 729 CB VAL A 47 -3.036 5.166 -2.116 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.698 6.535 -2.716 1.00 0.00 C ATOM 731 CG2 VAL A 47 -3.865 4.386 -3.147 1.00 0.00 C ATOM 0 H VAL A 47 -2.642 2.749 -0.741 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.984 4.551 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.630 5.285 -1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.617 7.034 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.188 7.144 -1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.048 6.403 -3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.743 4.970 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.259 4.198 -4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.182 3.437 -2.716 1.00 0.00 H new ATOM 741 N ALA A 48 -0.359 5.946 -0.314 1.00 0.00 N ATOM 742 CA ALA A 48 0.262 6.426 0.929 1.00 0.00 C ATOM 743 C ALA A 48 0.899 7.809 0.753 1.00 0.00 C ATOM 744 O ALA A 48 1.705 7.964 -0.160 1.00 0.00 O ATOM 745 CB ALA A 48 1.378 5.440 1.278 1.00 0.00 C ATOM 0 H ALA A 48 -0.012 6.400 -1.159 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.502 6.499 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.869 5.757 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.954 4.445 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.107 5.414 0.468 1.00 0.00 H new ATOM 751 N CYS A 49 0.593 8.777 1.632 1.00 0.00 N ATOM 752 CA CYS A 49 1.154 10.134 1.608 1.00 0.00 C ATOM 753 C CYS A 49 2.356 10.285 2.540 1.00 0.00 C ATOM 754 O CYS A 49 2.771 9.335 3.195 1.00 0.00 O ATOM 755 CB CYS A 49 0.046 11.136 1.963 1.00 0.00 C ATOM 756 SG CYS A 49 -1.218 11.347 0.683 1.00 0.00 S ATOM 0 H CYS A 49 -0.067 8.632 2.396 1.00 0.00 H new ATOM 0 HA CYS A 49 1.526 10.336 0.603 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.439 10.811 2.884 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.502 12.105 2.168 1.00 0.00 H new ATOM 761 N GLY A 50 2.915 11.500 2.581 1.00 0.00 N ATOM 762 CA GLY A 50 4.046 11.870 3.421 1.00 0.00 C ATOM 763 C GLY A 50 5.307 11.991 2.573 1.00 0.00 C ATOM 764 O GLY A 50 5.233 12.007 1.347 1.00 0.00 O ATOM 0 H GLY A 50 2.577 12.274 2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.843 12.816 3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.192 11.121 4.200 1.00 0.00 H new ATOM 768 N GLU A 51 6.467 12.068 3.234 1.00 0.00 N ATOM 769 CA GLU A 51 7.754 11.994 2.561 1.00 0.00 C ATOM 770 C GLU A 51 8.002 10.551 2.113 1.00 0.00 C ATOM 771 O GLU A 51 7.671 9.611 2.835 1.00 0.00 O ATOM 772 CB GLU A 51 8.870 12.546 3.459 1.00 0.00 C ATOM 773 CG GLU A 51 9.038 11.788 4.782 1.00 0.00 C ATOM 774 CD GLU A 51 10.111 12.429 5.653 1.00 0.00 C ATOM 775 OE1 GLU A 51 9.824 13.519 6.195 1.00 0.00 O ATOM 776 OE2 GLU A 51 11.197 11.819 5.760 1.00 0.00 O ATOM 0 H GLU A 51 6.533 12.183 4.245 1.00 0.00 H new ATOM 0 HA GLU A 51 7.749 12.622 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.812 12.514 2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.663 13.594 3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.090 11.775 5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.303 10.751 4.578 1.00 0.00 H new ATOM 783 N GLU A 52 8.559 10.377 0.909 1.00 0.00 N ATOM 784 CA GLU A 52 8.774 9.071 0.292 1.00 0.00 C ATOM 785 C GLU A 52 9.557 8.153 1.234 1.00 0.00 C ATOM 786 O GLU A 52 9.190 6.999 1.436 1.00 0.00 O ATOM 787 CB GLU A 52 9.516 9.246 -1.039 1.00 0.00 C ATOM 788 CG GLU A 52 8.986 8.266 -2.092 1.00 0.00 C ATOM 789 CD GLU A 52 9.658 8.489 -3.444 1.00 0.00 C ATOM 790 OE1 GLU A 52 10.869 8.193 -3.533 1.00 0.00 O ATOM 791 OE2 GLU A 52 8.950 8.958 -4.361 1.00 0.00 O ATOM 0 H GLU A 52 8.877 11.154 0.330 1.00 0.00 H new ATOM 0 HA GLU A 52 7.808 8.605 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.396 10.269 -1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.583 9.084 -0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.161 7.243 -1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.908 8.387 -2.195 1.00 0.00 H new ATOM 798 N GLY A 53 10.614 8.715 1.830 1.00 0.00 N ATOM 799 CA GLY A 53 11.449 8.109 2.848 1.00 0.00 C ATOM 800 C GLY A 53 10.650 7.348 3.909 1.00 0.00 C ATOM 801 O GLY A 53 11.009 6.227 4.262 1.00 0.00 O ATOM 0 H GLY A 53 10.919 9.659 1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.152 7.425 2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.039 8.886 3.335 1.00 0.00 H new ATOM 805 N GLN A 54 9.566 7.959 4.407 1.00 0.00 N ATOM 806 CA GLN A 54 8.684 7.376 5.410 1.00 0.00 C ATOM 807 C GLN A 54 7.798 6.284 4.813 1.00 0.00 C ATOM 808 O GLN A 54 7.664 5.213 5.399 1.00 0.00 O ATOM 809 CB GLN A 54 7.785 8.450 6.039 1.00 0.00 C ATOM 810 CG GLN A 54 8.425 9.107 7.267 1.00 0.00 C ATOM 811 CD GLN A 54 7.383 9.893 8.059 1.00 0.00 C ATOM 812 OE1 GLN A 54 7.276 11.110 7.925 1.00 0.00 O ATOM 813 NE2 GLN A 54 6.605 9.189 8.884 1.00 0.00 N ATOM 0 H GLN A 54 9.278 8.892 4.113 1.00 0.00 H new ATOM 0 HA GLN A 54 9.324 6.936 6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.564 9.216 5.295 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.834 8.001 6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.873 8.343 7.903 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.229 9.772 6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.728 8.180 8.964 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.887 9.660 9.434 1.00 0.00 H new ATOM 822 N VAL A 55 7.183 6.566 3.661 1.00 0.00 N ATOM 823 CA VAL A 55 6.330 5.618 2.951 1.00 0.00 C ATOM 824 C VAL A 55 7.069 4.296 2.715 1.00 0.00 C ATOM 825 O VAL A 55 6.488 3.224 2.881 1.00 0.00 O ATOM 826 CB VAL A 55 5.854 6.210 1.611 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.949 5.213 0.882 1.00 0.00 C ATOM 828 CG2 VAL A 55 5.090 7.531 1.755 1.00 0.00 C ATOM 0 H VAL A 55 7.266 7.469 3.193 1.00 0.00 H new ATOM 0 HA VAL A 55 5.456 5.420 3.571 1.00 0.00 H new ATOM 0 HB VAL A 55 6.762 6.412 1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.620 5.644 -0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.502 4.294 0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.080 4.990 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.788 7.886 0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.205 7.374 2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.733 8.274 2.226 1.00 0.00 H new ATOM 838 N GLU A 56 8.350 4.370 2.344 1.00 0.00 N ATOM 839 CA GLU A 56 9.153 3.206 2.010 1.00 0.00 C ATOM 840 C GLU A 56 9.375 2.275 3.212 1.00 0.00 C ATOM 841 O GLU A 56 9.624 1.085 3.019 1.00 0.00 O ATOM 842 CB GLU A 56 10.466 3.658 1.359 1.00 0.00 C ATOM 843 CG GLU A 56 10.909 2.669 0.273 1.00 0.00 C ATOM 844 CD GLU A 56 12.232 3.081 -0.368 1.00 0.00 C ATOM 845 OE1 GLU A 56 12.359 4.279 -0.704 1.00 0.00 O ATOM 846 OE2 GLU A 56 13.092 2.186 -0.518 1.00 0.00 O ATOM 0 H GLU A 56 8.858 5.252 2.268 1.00 0.00 H new ATOM 0 HA GLU A 56 8.602 2.604 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.338 4.649 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.243 3.742 2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.010 1.674 0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.138 2.604 -0.495 1.00 0.00 H new ATOM 853 N LYS A 57 9.259 2.789 4.447 1.00 0.00 N ATOM 854 CA LYS A 57 9.451 1.999 5.658 1.00 0.00 C ATOM 855 C LYS A 57 8.422 0.865 5.744 1.00 0.00 C ATOM 856 O LYS A 57 8.797 -0.266 6.044 1.00 0.00 O ATOM 857 CB LYS A 57 9.372 2.876 6.914 1.00 0.00 C ATOM 858 CG LYS A 57 10.275 4.120 6.910 1.00 0.00 C ATOM 859 CD LYS A 57 11.785 3.864 6.958 1.00 0.00 C ATOM 860 CE LYS A 57 12.234 3.226 8.279 1.00 0.00 C ATOM 861 NZ LYS A 57 13.622 3.598 8.611 1.00 0.00 N ATOM 0 H LYS A 57 9.029 3.766 4.626 1.00 0.00 H new ATOM 0 HA LYS A 57 10.448 1.562 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.339 3.199 7.046 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.629 2.265 7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.055 4.700 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.006 4.741 7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.066 3.213 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.314 4.806 6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.569 3.542 9.082 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.154 2.141 8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.896 3.151 9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.259 3.274 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.692 4.632 8.703 1.00 0.00 H new ATOM 875 N LEU A 58 7.139 1.146 5.472 1.00 0.00 N ATOM 876 CA LEU A 58 6.109 0.109 5.466 1.00 0.00 C ATOM 877 C LEU A 58 6.222 -0.769 4.221 1.00 0.00 C ATOM 878 O LEU A 58 5.841 -1.936 4.259 1.00 0.00 O ATOM 879 CB LEU A 58 4.697 0.698 5.637 1.00 0.00 C ATOM 880 CG LEU A 58 4.023 1.202 4.346 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.077 0.144 3.759 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.211 2.465 4.632 1.00 0.00 C ATOM 0 H LEU A 58 6.795 2.081 5.254 1.00 0.00 H new ATOM 0 HA LEU A 58 6.280 -0.531 6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.058 -0.062 6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.752 1.526 6.344 1.00 0.00 H new ATOM 0 HG LEU A 58 4.816 1.414 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.618 0.531 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.641 -0.759 3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.300 -0.092 4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.740 2.811 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.442 2.243 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.871 3.243 5.016 1.00 0.00 H new ATOM 894 N MET A 59 6.743 -0.222 3.116 1.00 0.00 N ATOM 895 CA MET A 59 6.880 -0.974 1.882 1.00 0.00 C ATOM 896 C MET A 59 7.932 -2.071 2.016 1.00 0.00 C ATOM 897 O MET A 59 7.808 -3.092 1.345 1.00 0.00 O ATOM 898 CB MET A 59 7.131 -0.058 0.683 1.00 0.00 C ATOM 899 CG MET A 59 5.980 0.941 0.485 1.00 0.00 C ATOM 900 SD MET A 59 4.970 0.663 -0.993 1.00 0.00 S ATOM 901 CE MET A 59 3.547 1.708 -0.584 1.00 0.00 C ATOM 0 H MET A 59 7.075 0.741 3.060 1.00 0.00 H new ATOM 0 HA MET A 59 5.930 -1.472 1.689 1.00 0.00 H new ATOM 0 HB2 MET A 59 8.065 0.486 0.828 1.00 0.00 H new ATOM 0 HB3 MET A 59 7.250 -0.660 -0.218 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.333 0.904 1.361 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.396 1.947 0.438 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.816 1.659 -1.391 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.091 1.356 0.341 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.877 2.739 -0.456 1.00 0.00 H new ATOM 911 N GLN A 60 8.918 -1.910 2.913 1.00 0.00 N ATOM 912 CA GLN A 60 9.809 -2.997 3.307 1.00 0.00 C ATOM 913 C GLN A 60 8.979 -4.272 3.538 1.00 0.00 C ATOM 914 O GLN A 60 9.283 -5.317 2.959 1.00 0.00 O ATOM 915 CB GLN A 60 10.602 -2.612 4.566 1.00 0.00 C ATOM 916 CG GLN A 60 11.489 -1.371 4.349 1.00 0.00 C ATOM 917 CD GLN A 60 12.977 -1.684 4.475 1.00 0.00 C ATOM 918 OE1 GLN A 60 13.660 -1.888 3.475 1.00 0.00 O ATOM 919 NE2 GLN A 60 13.491 -1.711 5.707 1.00 0.00 N ATOM 0 H GLN A 60 9.114 -1.025 3.380 1.00 0.00 H new ATOM 0 HA GLN A 60 10.530 -3.186 2.512 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.908 -2.420 5.384 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.227 -3.452 4.869 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.291 -0.956 3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.220 -0.605 5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.892 -1.536 6.514 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.483 -1.906 5.842 1.00 0.00 H new ATOM 928 N TRP A 61 7.891 -4.156 4.322 1.00 0.00 N ATOM 929 CA TRP A 61 7.103 -5.332 4.645 1.00 0.00 C ATOM 930 C TRP A 61 6.353 -5.865 3.420 1.00 0.00 C ATOM 931 O TRP A 61 6.220 -7.073 3.300 1.00 0.00 O ATOM 932 CB TRP A 61 6.121 -4.974 5.778 1.00 0.00 C ATOM 933 CG TRP A 61 4.887 -5.814 5.798 1.00 0.00 C ATOM 934 CD1 TRP A 61 4.799 -7.110 6.169 1.00 0.00 C ATOM 935 CD2 TRP A 61 3.594 -5.463 5.252 1.00 0.00 C ATOM 936 NE1 TRP A 61 3.534 -7.586 5.890 1.00 0.00 N ATOM 937 CE2 TRP A 61 2.749 -6.605 5.314 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.072 -4.289 4.678 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.426 -6.576 4.853 1.00 0.00 C ATOM 940 CZ3 TRP A 61 1.731 -4.235 4.247 1.00 0.00 C ATOM 941 CH2 TRP A 61 0.907 -5.373 4.347 1.00 0.00 C ATOM 0 H TRP A 61 7.555 -3.282 4.727 1.00 0.00 H new ATOM 0 HA TRP A 61 7.772 -6.127 4.974 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.633 -5.076 6.735 1.00 0.00 H new ATOM 0 HB3 TRP A 61 5.834 -3.927 5.679 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.596 -7.685 6.616 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.220 -8.537 6.083 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.705 -3.421 4.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.814 -7.466 4.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.334 -3.318 3.839 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -0.125 -5.320 4.034 1.00 0.00 H new ATOM 952 N LEU A 62 5.845 -4.991 2.538 1.00 0.00 N ATOM 953 CA LEU A 62 5.150 -5.395 1.310 1.00 0.00 C ATOM 954 C LEU A 62 5.986 -6.396 0.510 1.00 0.00 C ATOM 955 O LEU A 62 5.453 -7.385 0.011 1.00 0.00 O ATOM 956 CB LEU A 62 4.800 -4.167 0.444 1.00 0.00 C ATOM 957 CG LEU A 62 3.362 -3.693 0.690 1.00 0.00 C ATOM 958 CD1 LEU A 62 3.204 -2.183 0.489 1.00 0.00 C ATOM 959 CD2 LEU A 62 2.420 -4.415 -0.281 1.00 0.00 C ATOM 0 H LEU A 62 5.906 -3.980 2.659 1.00 0.00 H new ATOM 0 HA LEU A 62 4.220 -5.884 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.494 -3.356 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.926 -4.416 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 62 3.116 -3.924 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.169 -1.898 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.857 -1.653 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.474 -1.922 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.396 -4.082 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.710 -4.187 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.483 -5.491 -0.117 1.00 0.00 H new ATOM 971 N LYS A 63 7.294 -6.147 0.409 1.00 0.00 N ATOM 972 CA LYS A 63 8.208 -7.027 -0.299 1.00 0.00 C ATOM 973 C LYS A 63 8.401 -8.320 0.510 1.00 0.00 C ATOM 974 O LYS A 63 8.302 -9.411 -0.052 1.00 0.00 O ATOM 975 CB LYS A 63 9.522 -6.291 -0.615 1.00 0.00 C ATOM 976 CG LYS A 63 9.399 -5.272 -1.769 1.00 0.00 C ATOM 977 CD LYS A 63 8.653 -3.979 -1.402 1.00 0.00 C ATOM 978 CE LYS A 63 8.450 -3.020 -2.581 1.00 0.00 C ATOM 979 NZ LYS A 63 9.701 -2.365 -2.997 1.00 0.00 N ATOM 0 H LYS A 63 7.743 -5.328 0.818 1.00 0.00 H new ATOM 0 HA LYS A 63 7.790 -7.317 -1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.863 -5.773 0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.287 -7.024 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.399 -5.013 -2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.885 -5.748 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.679 -4.239 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.207 -3.462 -0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.034 -3.570 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.720 -2.259 -2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.510 -1.728 -3.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.087 -1.817 -2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.391 -3.087 -3.287 1.00 0.00 H new ATOM 993 N SER A 64 8.614 -8.208 1.830 1.00 0.00 N ATOM 994 CA SER A 64 8.715 -9.352 2.737 1.00 0.00 C ATOM 995 C SER A 64 7.464 -10.245 2.723 1.00 0.00 C ATOM 996 O SER A 64 7.563 -11.444 2.978 1.00 0.00 O ATOM 997 CB SER A 64 8.987 -8.862 4.165 1.00 0.00 C ATOM 998 OG SER A 64 9.282 -9.959 5.007 1.00 0.00 O ATOM 0 H SER A 64 8.722 -7.309 2.299 1.00 0.00 H new ATOM 0 HA SER A 64 9.545 -9.964 2.382 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.821 -8.160 4.164 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.118 -8.325 4.545 1.00 0.00 H new ATOM 0 HG SER A 64 9.456 -9.636 5.916 1.00 0.00 H new ATOM 1004 N GLY A 65 6.289 -9.664 2.455 1.00 0.00 N ATOM 1005 CA GLY A 65 5.007 -10.345 2.443 1.00 0.00 C ATOM 1006 C GLY A 65 4.793 -11.196 1.189 1.00 0.00 C ATOM 1007 O GLY A 65 3.777 -11.882 1.092 1.00 0.00 O ATOM 0 H GLY A 65 6.211 -8.671 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.932 -10.982 3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.209 -9.606 2.514 1.00 0.00 H new ATOM 1011 N GLY A 66 5.733 -11.163 0.233 1.00 0.00 N ATOM 1012 CA GLY A 66 5.663 -11.935 -0.995 1.00 0.00 C ATOM 1013 C GLY A 66 5.745 -13.445 -0.747 1.00 0.00 C ATOM 1014 O GLY A 66 4.739 -14.134 -0.911 1.00 0.00 O ATOM 0 H GLY A 66 6.572 -10.587 0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.731 -11.705 -1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.476 -11.634 -1.656 1.00 0.00 H new ATOM 1018 N PRO A 67 6.928 -13.976 -0.389 1.00 0.00 N ATOM 1019 CA PRO A 67 7.179 -15.408 -0.285 1.00 0.00 C ATOM 1020 C PRO A 67 6.594 -15.969 1.015 1.00 0.00 C ATOM 1021 O PRO A 67 7.322 -16.258 1.963 1.00 0.00 O ATOM 1022 CB PRO A 67 8.703 -15.547 -0.362 1.00 0.00 C ATOM 1023 CG PRO A 67 9.195 -14.252 0.285 1.00 0.00 C ATOM 1024 CD PRO A 67 8.162 -13.230 -0.191 1.00 0.00 C ATOM 0 HA PRO A 67 6.699 -15.981 -1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 67 9.056 -16.427 0.175 1.00 0.00 H new ATOM 0 HB3 PRO A 67 9.049 -15.642 -1.391 1.00 0.00 H new ATOM 0 HG2 PRO A 67 9.221 -14.326 1.372 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.202 -13.993 -0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.026 -12.439 0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.483 -12.752 -1.117 1.00 0.00 H new ATOM 1032 N ARG A 68 5.264 -16.110 1.044 1.00 0.00 N ATOM 1033 CA ARG A 68 4.494 -16.543 2.201 1.00 0.00 C ATOM 1034 C ARG A 68 3.435 -17.549 1.751 1.00 0.00 C ATOM 1035 O ARG A 68 3.378 -18.667 2.258 1.00 0.00 O ATOM 1036 CB ARG A 68 3.819 -15.333 2.871 1.00 0.00 C ATOM 1037 CG ARG A 68 4.750 -14.146 3.151 1.00 0.00 C ATOM 1038 CD ARG A 68 5.870 -14.460 4.148 1.00 0.00 C ATOM 1039 NE ARG A 68 5.810 -13.569 5.314 1.00 0.00 N ATOM 1040 CZ ARG A 68 6.827 -13.333 6.160 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.018 -13.923 5.987 1.00 0.00 N ATOM 1042 NH2 ARG A 68 6.639 -12.500 7.192 1.00 0.00 N ATOM 0 H ARG A 68 4.680 -15.917 0.231 1.00 0.00 H new ATOM 0 HA ARG A 68 5.160 -17.013 2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.002 -14.993 2.235 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.376 -15.658 3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.194 -13.815 2.212 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.158 -13.315 3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.789 -15.497 4.475 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.837 -14.355 3.657 1.00 0.00 H new ATOM 0 HE ARG A 68 4.927 -13.092 5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.162 -14.561 5.205 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.780 -13.734 6.638 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.732 -12.053 7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.403 -12.312 7.842 1.00 0.00 H new ATOM 1056 N SER A 69 2.585 -17.122 0.810 1.00 0.00 N ATOM 1057 CA SER A 69 1.451 -17.880 0.299 1.00 0.00 C ATOM 1058 C SER A 69 0.927 -17.212 -0.974 1.00 0.00 C ATOM 1059 O SER A 69 0.685 -17.884 -1.975 1.00 0.00 O ATOM 1060 CB SER A 69 0.356 -18.009 1.370 1.00 0.00 C ATOM 1061 OG SER A 69 -0.067 -19.351 1.490 1.00 0.00 O ATOM 0 H SER A 69 2.676 -16.206 0.372 1.00 0.00 H new ATOM 0 HA SER A 69 1.771 -18.892 0.049 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.734 -17.654 2.329 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.492 -17.377 1.108 1.00 0.00 H new ATOM 0 HG SER A 69 -0.763 -19.414 2.177 1.00 0.00 H new ATOM 1067 N ALA A 70 0.780 -15.880 -0.926 1.00 0.00 N ATOM 1068 CA ALA A 70 0.418 -15.041 -2.063 1.00 0.00 C ATOM 1069 C ALA A 70 1.414 -15.210 -3.212 1.00 0.00 C ATOM 1070 O ALA A 70 2.570 -15.566 -2.983 1.00 0.00 O ATOM 1071 CB ALA A 70 0.382 -13.575 -1.621 1.00 0.00 C ATOM 0 H ALA A 70 0.915 -15.347 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.566 -15.346 -2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.112 -12.946 -2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.356 -13.452 -0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.365 -13.282 -1.251 1.00 0.00 H new ATOM 1077 N ARG A 71 0.960 -14.947 -4.444 1.00 0.00 N ATOM 1078 CA ARG A 71 1.761 -15.114 -5.647 1.00 0.00 C ATOM 1079 C ARG A 71 2.019 -13.740 -6.253 1.00 0.00 C ATOM 1080 O ARG A 71 1.358 -13.354 -7.214 1.00 0.00 O ATOM 1081 CB ARG A 71 1.030 -16.075 -6.592 1.00 0.00 C ATOM 1082 CG ARG A 71 1.900 -16.483 -7.791 1.00 0.00 C ATOM 1083 CD ARG A 71 1.497 -17.869 -8.314 1.00 0.00 C ATOM 1084 NE ARG A 71 1.709 -18.911 -7.296 1.00 0.00 N ATOM 1085 CZ ARG A 71 2.905 -19.360 -6.877 1.00 0.00 C ATOM 1086 NH1 ARG A 71 4.031 -19.025 -7.523 1.00 0.00 N ATOM 1087 NH2 ARG A 71 2.972 -20.146 -5.794 1.00 0.00 N ATOM 0 H ARG A 71 0.015 -14.609 -4.627 1.00 0.00 H new ATOM 0 HA ARG A 71 2.734 -15.556 -5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.732 -16.967 -6.041 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.116 -15.603 -6.952 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.798 -15.746 -8.587 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.950 -16.492 -7.497 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.448 -17.856 -8.611 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.078 -18.106 -9.205 1.00 0.00 H new ATOM 0 HE ARG A 71 0.879 -19.327 -6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.988 -18.422 -8.344 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.931 -19.373 -7.193 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.120 -20.399 -5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.875 -20.491 -5.469 1.00 0.00 H new ATOM 1101 N VAL A 72 2.974 -13.005 -5.670 1.00 0.00 N ATOM 1102 CA VAL A 72 3.343 -11.666 -6.107 1.00 0.00 C ATOM 1103 C VAL A 72 4.077 -11.759 -7.444 1.00 0.00 C ATOM 1104 O VAL A 72 5.258 -12.104 -7.487 1.00 0.00 O ATOM 1105 CB VAL A 72 4.193 -10.960 -5.034 1.00 0.00 C ATOM 1106 CG1 VAL A 72 4.688 -9.592 -5.526 1.00 0.00 C ATOM 1107 CG2 VAL A 72 3.363 -10.746 -3.763 1.00 0.00 C ATOM 0 H VAL A 72 3.516 -13.334 -4.871 1.00 0.00 H new ATOM 0 HA VAL A 72 2.445 -11.064 -6.247 1.00 0.00 H new ATOM 0 HB VAL A 72 5.052 -11.597 -4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.285 -9.119 -4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.298 -9.726 -6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.833 -8.959 -5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.973 -10.246 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.495 -10.129 -3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.031 -11.710 -3.379 1.00 0.00 H new ATOM 1117 N GLU A 73 3.365 -11.442 -8.527 1.00 0.00 N ATOM 1118 CA GLU A 73 3.912 -11.428 -9.874 1.00 0.00 C ATOM 1119 C GLU A 73 4.841 -10.225 -10.089 1.00 0.00 C ATOM 1120 O GLU A 73 5.974 -10.412 -10.529 1.00 0.00 O ATOM 1121 CB GLU A 73 2.767 -11.487 -10.898 1.00 0.00 C ATOM 1122 CG GLU A 73 3.066 -12.476 -12.033 1.00 0.00 C ATOM 1123 CD GLU A 73 1.913 -12.589 -13.030 1.00 0.00 C ATOM 1124 OE1 GLU A 73 0.772 -12.251 -12.642 1.00 0.00 O ATOM 1125 OE2 GLU A 73 2.194 -13.025 -14.167 1.00 0.00 O ATOM 0 H GLU A 73 2.379 -11.185 -8.486 1.00 0.00 H new ATOM 0 HA GLU A 73 4.532 -12.313 -10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.845 -11.779 -10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.602 -10.494 -11.316 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.967 -12.159 -12.559 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.273 -13.459 -11.609 1.00 0.00 H new ATOM 1132 N ARG A 74 4.370 -9.004 -9.793 1.00 0.00 N ATOM 1133 CA ARG A 74 5.055 -7.747 -10.105 1.00 0.00 C ATOM 1134 C ARG A 74 4.356 -6.590 -9.377 1.00 0.00 C ATOM 1135 O ARG A 74 3.252 -6.773 -8.873 1.00 0.00 O ATOM 1136 CB ARG A 74 5.022 -7.520 -11.632 1.00 0.00 C ATOM 1137 CG ARG A 74 6.383 -7.737 -12.308 1.00 0.00 C ATOM 1138 CD ARG A 74 7.289 -6.502 -12.215 1.00 0.00 C ATOM 1139 NE ARG A 74 6.764 -5.376 -13.003 1.00 0.00 N ATOM 1140 CZ ARG A 74 6.802 -5.283 -14.344 1.00 0.00 C ATOM 1141 NH1 ARG A 74 7.381 -6.238 -15.088 1.00 0.00 N ATOM 1142 NH2 ARG A 74 6.251 -4.222 -14.948 1.00 0.00 N ATOM 0 H ARG A 74 3.479 -8.863 -9.318 1.00 0.00 H new ATOM 0 HA ARG A 74 6.092 -7.794 -9.773 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.291 -8.195 -12.077 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.682 -6.504 -11.834 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.884 -8.587 -11.844 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.228 -7.992 -13.356 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.386 -6.201 -11.172 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.288 -6.757 -12.568 1.00 0.00 H new ATOM 0 HE ARG A 74 6.337 -4.604 -12.491 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.801 -7.051 -14.637 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.401 -6.151 -16.104 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.807 -3.492 -14.391 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.276 -4.144 -15.965 1.00 0.00 H new ATOM 1156 N VAL A 75 4.993 -5.409 -9.312 1.00 0.00 N ATOM 1157 CA VAL A 75 4.428 -4.229 -8.652 1.00 0.00 C ATOM 1158 C VAL A 75 4.923 -2.926 -9.309 1.00 0.00 C ATOM 1159 O VAL A 75 6.119 -2.813 -9.576 1.00 0.00 O ATOM 1160 CB VAL A 75 4.734 -4.300 -7.142 1.00 0.00 C ATOM 1161 CG1 VAL A 75 6.227 -4.411 -6.821 1.00 0.00 C ATOM 1162 CG2 VAL A 75 4.123 -3.119 -6.382 1.00 0.00 C ATOM 0 H VAL A 75 5.915 -5.249 -9.717 1.00 0.00 H new ATOM 0 HA VAL A 75 3.345 -4.222 -8.774 1.00 0.00 H new ATOM 0 HB VAL A 75 4.265 -5.224 -6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.364 -4.456 -5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.631 -5.315 -7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.750 -3.541 -7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.361 -3.206 -5.322 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.531 -2.186 -6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.041 -3.123 -6.512 1.00 0.00 H new ATOM 1172 N LEU A 76 4.025 -1.961 -9.587 1.00 0.00 N ATOM 1173 CA LEU A 76 4.348 -0.715 -10.298 1.00 0.00 C ATOM 1174 C LEU A 76 3.947 0.531 -9.498 1.00 0.00 C ATOM 1175 O LEU A 76 2.783 0.655 -9.115 1.00 0.00 O ATOM 1176 CB LEU A 76 3.633 -0.694 -11.659 1.00 0.00 C ATOM 1177 CG LEU A 76 4.344 0.205 -12.687 1.00 0.00 C ATOM 1178 CD1 LEU A 76 5.590 -0.481 -13.272 1.00 0.00 C ATOM 1179 CD2 LEU A 76 3.388 0.531 -13.839 1.00 0.00 C ATOM 0 H LEU A 76 3.043 -2.029 -9.319 1.00 0.00 H new ATOM 0 HA LEU A 76 5.429 -0.690 -10.435 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.573 -1.710 -12.050 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.610 -0.345 -11.522 1.00 0.00 H new ATOM 0 HG LEU A 76 4.651 1.114 -12.170 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.066 0.183 -13.994 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.292 -0.707 -12.469 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.297 -1.406 -13.769 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.895 1.167 -14.564 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.074 -0.393 -14.324 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.513 1.051 -13.449 1.00 0.00 H new ATOM 1191 N SER A 77 4.897 1.452 -9.268 1.00 0.00 N ATOM 1192 CA SER A 77 4.688 2.676 -8.493 1.00 0.00 C ATOM 1193 C SER A 77 4.640 3.919 -9.392 1.00 0.00 C ATOM 1194 O SER A 77 5.502 4.085 -10.253 1.00 0.00 O ATOM 1195 CB SER A 77 5.816 2.857 -7.468 1.00 0.00 C ATOM 1196 OG SER A 77 6.377 1.621 -7.072 1.00 0.00 O ATOM 0 H SER A 77 5.848 1.361 -9.624 1.00 0.00 H new ATOM 0 HA SER A 77 3.729 2.572 -7.986 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.595 3.488 -7.895 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.429 3.377 -6.591 1.00 0.00 H new ATOM 0 HG SER A 77 7.092 1.780 -6.421 1.00 0.00 H new ATOM 1202 N GLU A 78 3.666 4.805 -9.145 1.00 0.00 N ATOM 1203 CA GLU A 78 3.420 6.042 -9.891 1.00 0.00 C ATOM 1204 C GLU A 78 3.179 7.212 -8.917 1.00 0.00 C ATOM 1205 O GLU A 78 2.752 6.978 -7.787 1.00 0.00 O ATOM 1206 CB GLU A 78 2.193 5.847 -10.802 1.00 0.00 C ATOM 1207 CG GLU A 78 2.547 5.583 -12.276 1.00 0.00 C ATOM 1208 CD GLU A 78 3.397 4.333 -12.497 1.00 0.00 C ATOM 1209 OE1 GLU A 78 3.046 3.282 -11.918 1.00 0.00 O ATOM 1210 OE2 GLU A 78 4.380 4.448 -13.260 1.00 0.00 O ATOM 0 H GLU A 78 2.999 4.671 -8.385 1.00 0.00 H new ATOM 0 HA GLU A 78 4.292 6.277 -10.502 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.602 5.012 -10.425 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.564 6.735 -10.743 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.625 5.489 -12.849 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.081 6.447 -12.671 1.00 0.00 H new ATOM 1217 N PRO A 79 3.417 8.469 -9.338 1.00 0.00 N ATOM 1218 CA PRO A 79 3.207 9.662 -8.523 1.00 0.00 C ATOM 1219 C PRO A 79 1.713 9.958 -8.354 1.00 0.00 C ATOM 1220 O PRO A 79 0.990 10.053 -9.344 1.00 0.00 O ATOM 1221 CB PRO A 79 3.920 10.793 -9.270 1.00 0.00 C ATOM 1222 CG PRO A 79 3.845 10.357 -10.733 1.00 0.00 C ATOM 1223 CD PRO A 79 3.948 8.835 -10.642 1.00 0.00 C ATOM 0 HA PRO A 79 3.601 9.539 -7.514 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.427 11.752 -9.111 1.00 0.00 H new ATOM 0 HB3 PRO A 79 4.952 10.906 -8.937 1.00 0.00 H new ATOM 0 HG2 PRO A 79 2.912 10.671 -11.201 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.657 10.782 -11.323 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.380 8.358 -11.441 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.983 8.508 -10.747 1.00 0.00 H new ATOM 1231 N HIS A 80 1.253 10.103 -7.101 1.00 0.00 N ATOM 1232 CA HIS A 80 -0.146 10.341 -6.765 1.00 0.00 C ATOM 1233 C HIS A 80 -0.299 11.681 -6.032 1.00 0.00 C ATOM 1234 O HIS A 80 0.088 11.779 -4.873 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.611 9.163 -5.896 1.00 0.00 C ATOM 1236 CG HIS A 80 -2.104 9.030 -5.779 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.896 8.599 -6.830 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -2.914 9.231 -4.691 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -4.153 8.557 -6.360 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -4.209 8.936 -5.072 1.00 0.00 N ATOM 0 H HIS A 80 1.860 10.056 -6.283 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.761 10.404 -7.663 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.207 8.239 -6.311 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.189 9.275 -4.897 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.597 9.561 -3.713 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.011 8.257 -6.943 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.044 8.994 -4.489 1.00 0.00 H new ATOM 1249 N HIS A 81 -0.858 12.718 -6.673 1.00 0.00 N ATOM 1250 CA HIS A 81 -0.995 14.045 -6.063 1.00 0.00 C ATOM 1251 C HIS A 81 -2.470 14.378 -5.762 1.00 0.00 C ATOM 1252 O HIS A 81 -3.060 15.190 -6.473 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.344 15.086 -6.994 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.007 16.410 -6.346 1.00 0.00 C ATOM 1255 ND1 HIS A 81 0.672 17.412 -7.023 1.00 0.00 N ATOM 1256 CD2 HIS A 81 -0.218 16.847 -5.062 1.00 0.00 C ATOM 1257 CE1 HIS A 81 0.865 18.405 -6.140 1.00 0.00 C ATOM 1258 NE2 HIS A 81 0.348 18.102 -4.940 1.00 0.00 N ATOM 0 H HIS A 81 -1.225 12.660 -7.623 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.481 14.060 -5.102 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.570 14.659 -7.407 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.016 15.271 -7.832 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.735 16.305 -4.284 1.00 0.00 H new ATOM 0 HE1 HIS A 81 1.372 19.331 -6.367 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.369 18.683 -4.102 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.090 13.781 -4.728 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.500 13.983 -4.419 1.00 0.00 C ATOM 1269 C PRO A 82 -4.749 15.371 -3.823 1.00 0.00 C ATOM 1270 O PRO A 82 -3.866 15.951 -3.191 1.00 0.00 O ATOM 1271 CB PRO A 82 -4.862 12.872 -3.429 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.545 12.624 -2.698 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.517 12.809 -3.813 1.00 0.00 C ATOM 0 HA PRO A 82 -5.118 13.937 -5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.652 13.182 -2.745 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.216 11.976 -3.939 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.393 13.331 -1.882 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.501 11.624 -2.266 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.567 13.163 -3.413 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.318 11.865 -4.321 1.00 0.00 H new ATOM 1281 N SER A 83 -5.960 15.899 -4.040 1.00 0.00 N ATOM 1282 CA SER A 83 -6.381 17.203 -3.552 1.00 0.00 C ATOM 1283 C SER A 83 -6.768 17.126 -2.073 1.00 0.00 C ATOM 1284 O SER A 83 -7.375 16.148 -1.637 1.00 0.00 O ATOM 1285 CB SER A 83 -7.536 17.736 -4.411 1.00 0.00 C ATOM 1286 OG SER A 83 -8.648 16.865 -4.378 1.00 0.00 O ATOM 0 H SER A 83 -6.684 15.416 -4.572 1.00 0.00 H new ATOM 0 HA SER A 83 -5.548 17.901 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.833 18.722 -4.053 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.199 17.859 -5.440 1.00 0.00 H new ATOM 0 HG SER A 83 -9.368 17.232 -4.933 1.00 0.00 H new ATOM 1292 N GLY A 84 -6.401 18.160 -1.305 1.00 0.00 N ATOM 1293 CA GLY A 84 -6.620 18.225 0.133 1.00 0.00 C ATOM 1294 C GLY A 84 -5.717 17.254 0.891 1.00 0.00 C ATOM 1295 O GLY A 84 -5.004 16.447 0.293 1.00 0.00 O ATOM 0 H GLY A 84 -5.935 18.987 -1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.435 19.241 0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.663 17.997 0.352 1.00 0.00 H new ATOM 1299 N GLU A 85 -5.770 17.336 2.223 1.00 0.00 N ATOM 1300 CA GLU A 85 -5.121 16.391 3.117 1.00 0.00 C ATOM 1301 C GLU A 85 -6.109 15.278 3.466 1.00 0.00 C ATOM 1302 O GLU A 85 -7.306 15.523 3.621 1.00 0.00 O ATOM 1303 CB GLU A 85 -4.539 17.101 4.353 1.00 0.00 C ATOM 1304 CG GLU A 85 -5.522 17.401 5.497 1.00 0.00 C ATOM 1305 CD GLU A 85 -6.693 18.304 5.111 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -6.504 19.150 4.211 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -7.760 18.138 5.740 1.00 0.00 O ATOM 0 H GLU A 85 -6.275 18.075 2.712 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.266 15.933 2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.730 16.487 4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.095 18.042 4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.917 16.458 5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.974 17.868 6.315 1.00 0.00 H new ATOM 1314 N LEU A 86 -5.601 14.049 3.573 1.00 0.00 N ATOM 1315 CA LEU A 86 -6.374 12.879 3.964 1.00 0.00 C ATOM 1316 C LEU A 86 -6.392 12.805 5.494 1.00 0.00 C ATOM 1317 O LEU A 86 -5.436 13.234 6.141 1.00 0.00 O ATOM 1318 CB LEU A 86 -5.729 11.633 3.327 1.00 0.00 C ATOM 1319 CG LEU A 86 -6.688 10.748 2.517 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -7.262 11.480 1.295 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -5.938 9.512 2.018 1.00 0.00 C ATOM 0 H LEU A 86 -4.620 13.840 3.386 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.405 12.938 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.918 11.956 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.282 11.030 4.117 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.511 10.476 3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.934 10.814 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.812 12.361 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.448 11.785 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.617 8.882 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.106 9.822 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.556 8.950 2.870 1.00 0.00 H new ATOM 1333 N THR A 87 -7.471 12.270 6.079 1.00 0.00 N ATOM 1334 CA THR A 87 -7.602 12.119 7.520 1.00 0.00 C ATOM 1335 C THR A 87 -6.737 10.948 7.984 1.00 0.00 C ATOM 1336 O THR A 87 -5.676 11.161 8.566 1.00 0.00 O ATOM 1337 CB THR A 87 -9.081 11.930 7.902 1.00 0.00 C ATOM 1338 OG1 THR A 87 -9.766 11.201 6.900 1.00 0.00 O ATOM 1339 CG2 THR A 87 -9.771 13.278 8.127 1.00 0.00 C ATOM 0 H THR A 87 -8.278 11.930 5.556 1.00 0.00 H new ATOM 0 HA THR A 87 -7.252 13.020 8.023 1.00 0.00 H new ATOM 0 HB THR A 87 -9.111 11.367 8.835 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.704 11.089 7.161 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.814 13.112 8.395 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.269 13.813 8.933 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.721 13.869 7.213 1.00 0.00 H new ATOM 1347 N ASP A 88 -7.209 9.722 7.734 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.611 8.499 8.258 1.00 0.00 C ATOM 1349 C ASP A 88 -6.483 7.444 7.162 1.00 0.00 C ATOM 1350 O ASP A 88 -7.135 7.527 6.120 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.462 7.963 9.418 1.00 0.00 C ATOM 1352 CG ASP A 88 -7.503 8.937 10.593 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -6.527 8.927 11.372 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -8.510 9.672 10.690 1.00 0.00 O ATOM 0 H ASP A 88 -8.030 9.554 7.153 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.610 8.728 8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.477 7.775 9.067 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.058 7.007 9.753 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.645 6.436 7.425 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.500 5.264 6.581 1.00 0.00 C ATOM 1361 C PHE A 89 -6.686 4.320 6.795 1.00 0.00 C ATOM 1362 O PHE A 89 -7.237 4.259 7.895 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.164 4.579 6.884 1.00 0.00 C ATOM 1364 CG PHE A 89 -3.964 3.257 6.171 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -3.489 3.234 4.847 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -4.384 2.064 6.784 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -3.456 2.025 4.130 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -4.375 0.862 6.060 1.00 0.00 C ATOM 1369 CZ PHE A 89 -3.923 0.843 4.730 1.00 0.00 C ATOM 0 H PHE A 89 -5.041 6.419 8.247 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.497 5.557 5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.353 5.253 6.609 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.090 4.413 7.959 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.149 4.147 4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.714 2.072 7.812 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.073 2.005 3.121 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.716 -0.050 6.526 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.934 -0.080 4.169 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.078 3.584 5.747 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.203 2.658 5.800 1.00 0.00 C ATOM 1381 C ARG A 90 -7.981 1.509 4.812 1.00 0.00 C ATOM 1382 O ARG A 90 -6.940 1.442 4.164 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.509 3.434 5.551 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.601 3.945 4.108 1.00 0.00 C ATOM 1385 CD ARG A 90 -10.455 5.209 3.983 1.00 0.00 C ATOM 1386 NE ARG A 90 -11.820 5.021 4.495 1.00 0.00 N ATOM 1387 CZ ARG A 90 -12.740 5.999 4.549 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -12.461 7.224 4.078 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -13.945 5.755 5.080 1.00 0.00 N ATOM 0 H ARG A 90 -6.618 3.619 4.837 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.283 2.203 6.787 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.361 2.789 5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.568 4.277 6.240 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.598 4.151 3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.022 3.163 3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.975 6.022 4.527 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.502 5.510 2.936 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.084 4.094 4.829 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.545 7.419 3.675 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.165 7.960 4.123 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.164 4.827 5.443 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.644 6.497 5.121 1.00 0.00 H new ATOM 1403 N ILE A 91 -8.949 0.593 4.703 1.00 0.00 N ATOM 1404 CA ILE A 91 -8.893 -0.534 3.778 1.00 0.00 C ATOM 1405 C ILE A 91 -10.211 -0.636 3.014 1.00 0.00 C ATOM 1406 O ILE A 91 -11.256 -0.232 3.524 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.557 -1.843 4.519 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -9.498 -2.097 5.712 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -7.091 -1.812 4.969 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -9.392 -3.529 6.247 1.00 0.00 C ATOM 0 H ILE A 91 -9.801 0.617 5.263 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.092 -0.366 3.058 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.706 -2.673 3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.263 -1.395 6.512 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.526 -1.901 5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.852 -2.737 5.493 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.445 -1.712 4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.933 -0.965 5.637 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.075 -3.655 7.087 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.654 -4.233 5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.371 -3.719 6.578 1.00 0.00 H new ATOM 1422 N ARG A 92 -10.139 -1.194 1.800 1.00 0.00 N ATOM 1423 CA ARG A 92 -11.275 -1.504 0.948 1.00 0.00 C ATOM 1424 C ARG A 92 -12.250 -0.330 0.775 1.00 0.00 C ATOM 1425 O ARG A 92 -13.471 -0.594 0.765 1.00 0.00 O ATOM 1426 CB ARG A 92 -11.927 -2.802 1.434 1.00 0.00 C ATOM 1427 CG ARG A 92 -10.842 -3.880 1.600 1.00 0.00 C ATOM 1428 CD ARG A 92 -11.317 -5.239 1.104 1.00 0.00 C ATOM 1429 NE ARG A 92 -12.442 -5.740 1.903 1.00 0.00 N ATOM 1430 CZ ARG A 92 -13.209 -6.794 1.579 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -13.000 -7.474 0.442 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -14.194 -7.173 2.405 1.00 0.00 N ATOM 1433 OXT ARG A 92 -11.761 0.814 0.621 1.00 0.00 O ATOM 0 H ARG A 92 -9.248 -1.449 1.374 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.917 -1.671 -0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.438 -2.634 2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.681 -3.134 0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.948 -3.584 1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.560 -3.954 2.650 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.617 -5.161 0.059 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.493 -5.951 1.147 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.658 -5.250 2.771 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.250 -7.193 -0.190 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.591 -8.272 0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.357 -6.662 3.273 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.781 -7.972 2.166 1.00 0.00 H new TER 1447 ARG A 92