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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.338 K(o=0.34,f=-1) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -109:sc= 0.416 USER MOD Single : A 24 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.68) 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 -160:sc= -0.156 USER MOD Single : A 35 TYR OH : rot 30:sc= -0.0416 USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= 0.637 (180deg=0.289) USER MOD Single : A 38 ASN : amide:sc= -1.46 K(o=-1.5,f=-4.2!) USER MOD Single : A 43 SER OG : rot -170:sc= -0.219 USER MOD Single : A 54 GLN : amide:sc= -0.0314 X(o=-0.031,f=-0.4) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= -0.0215 (180deg=-0.166) USER MOD Single : A 59 MET CE :methyl -105:sc= -0.0155 (180deg=-0.223) USER MOD Single : A 60 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.29) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= -0.344 (180deg=-0.344) 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= -0.628 K(o=-0.63,f=-0.062) USER MOD Single : A 81 HIS : no HD1:sc= -0.0619 X(o=-0.062,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.107 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.159 22.924 -0.518 1.00 0.00 N ATOM 2 CA MET A 1 5.854 21.523 -0.868 1.00 0.00 C ATOM 3 C MET A 1 6.708 20.560 -0.045 1.00 0.00 C ATOM 4 O MET A 1 7.925 20.726 0.015 1.00 0.00 O ATOM 5 CB MET A 1 6.040 21.283 -2.382 1.00 0.00 C ATOM 6 CG MET A 1 4.719 20.991 -3.110 1.00 0.00 C ATOM 7 SD MET A 1 4.598 21.689 -4.782 1.00 0.00 S ATOM 8 CE MET A 1 5.352 20.372 -5.767 1.00 0.00 C ATOM 0 H1 MET A 1 5.568 23.561 -1.089 1.00 0.00 H new ATOM 0 H2 MET A 1 5.962 23.080 0.491 1.00 0.00 H new ATOM 0 H3 MET A 1 7.162 23.119 -0.709 1.00 0.00 H new ATOM 0 HA MET A 1 4.809 21.330 -0.627 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.508 22.160 -2.828 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.723 20.447 -2.531 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.586 19.911 -3.172 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.896 21.379 -2.509 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.349 20.657 -6.819 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.379 20.213 -5.437 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.783 19.451 -5.639 1.00 0.00 H new ATOM 20 N SER A 2 6.066 19.571 0.593 1.00 0.00 N ATOM 21 CA SER A 2 6.713 18.591 1.461 1.00 0.00 C ATOM 22 C SER A 2 6.103 17.197 1.255 1.00 0.00 C ATOM 23 O SER A 2 6.827 16.236 1.009 1.00 0.00 O ATOM 24 CB SER A 2 6.601 19.052 2.921 1.00 0.00 C ATOM 25 OG SER A 2 7.239 20.301 3.094 1.00 0.00 O ATOM 0 H SER A 2 5.059 19.432 0.514 1.00 0.00 H new ATOM 0 HA SER A 2 7.770 18.517 1.204 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.551 19.130 3.205 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.055 18.311 3.579 1.00 0.00 H new ATOM 0 HG SER A 2 7.158 20.583 4.029 1.00 0.00 H new ATOM 31 N LYS A 3 4.770 17.090 1.362 1.00 0.00 N ATOM 32 CA LYS A 3 4.016 15.847 1.202 1.00 0.00 C ATOM 33 C LYS A 3 4.105 15.298 -0.228 1.00 0.00 C ATOM 34 O LYS A 3 3.962 16.055 -1.187 1.00 0.00 O ATOM 35 CB LYS A 3 2.536 16.099 1.549 1.00 0.00 C ATOM 36 CG LYS A 3 2.116 15.568 2.924 1.00 0.00 C ATOM 37 CD LYS A 3 2.913 16.126 4.111 1.00 0.00 C ATOM 38 CE LYS A 3 2.684 17.633 4.294 1.00 0.00 C ATOM 39 NZ LYS A 3 2.252 17.960 5.666 1.00 0.00 N ATOM 0 H LYS A 3 4.174 17.892 1.568 1.00 0.00 H new ATOM 0 HA LYS A 3 4.452 15.109 1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.343 17.171 1.511 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.911 15.635 0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.061 15.795 3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.211 14.482 2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.624 15.601 5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.975 15.936 3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.604 18.171 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.930 17.975 3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.108 18.987 5.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.361 17.467 5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.983 17.657 6.341 1.00 0.00 H new ATOM 53 N VAL A 4 4.316 13.978 -0.349 1.00 0.00 N ATOM 54 CA VAL A 4 4.535 13.289 -1.612 1.00 0.00 C ATOM 55 C VAL A 4 3.811 11.949 -1.564 1.00 0.00 C ATOM 56 O VAL A 4 4.359 10.949 -1.102 1.00 0.00 O ATOM 57 CB VAL A 4 6.048 13.156 -1.900 1.00 0.00 C ATOM 58 CG1 VAL A 4 6.913 12.714 -0.715 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.308 12.231 -3.100 1.00 0.00 C ATOM 0 H VAL A 4 4.338 13.352 0.456 1.00 0.00 H new ATOM 0 HA VAL A 4 4.124 13.862 -2.443 1.00 0.00 H new ATOM 0 HB VAL A 4 6.359 14.176 -2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.955 12.653 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.819 13.438 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.581 11.736 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.381 12.158 -3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.907 11.240 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.821 12.639 -3.986 1.00 0.00 H new ATOM 69 N CYS A 5 2.563 11.933 -2.027 1.00 0.00 N ATOM 70 CA CYS A 5 1.791 10.700 -2.080 1.00 0.00 C ATOM 71 C CYS A 5 2.154 9.888 -3.324 1.00 0.00 C ATOM 72 O CYS A 5 2.667 10.432 -4.299 1.00 0.00 O ATOM 73 CB CYS A 5 0.282 10.979 -1.993 1.00 0.00 C ATOM 74 SG CYS A 5 -0.268 12.251 -0.814 1.00 0.00 S ATOM 0 H CYS A 5 2.069 12.757 -2.369 1.00 0.00 H new ATOM 0 HA CYS A 5 2.050 10.098 -1.209 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.065 11.267 -2.985 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.219 10.045 -1.739 1.00 0.00 H new ATOM 79 N ILE A 6 1.919 8.572 -3.274 1.00 0.00 N ATOM 80 CA ILE A 6 2.227 7.673 -4.387 1.00 0.00 C ATOM 81 C ILE A 6 1.155 6.579 -4.485 1.00 0.00 C ATOM 82 O ILE A 6 0.434 6.327 -3.520 1.00 0.00 O ATOM 83 CB ILE A 6 3.661 7.101 -4.273 1.00 0.00 C ATOM 84 CG1 ILE A 6 4.133 6.853 -2.841 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.720 8.012 -4.914 1.00 0.00 C ATOM 86 CD1 ILE A 6 3.254 5.825 -2.150 1.00 0.00 C ATOM 0 H ILE A 6 1.512 8.104 -2.464 1.00 0.00 H new ATOM 0 HA ILE A 6 2.206 8.239 -5.318 1.00 0.00 H new ATOM 0 HB ILE A 6 3.576 6.152 -4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.166 6.507 -2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.115 7.788 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.705 7.559 -4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.497 8.140 -5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.710 8.984 -4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.611 5.666 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.226 6.186 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.294 4.884 -2.699 1.00 0.00 H new ATOM 98 N ILE A 7 1.040 5.950 -5.660 1.00 0.00 N ATOM 99 CA ILE A 7 0.111 4.856 -5.929 1.00 0.00 C ATOM 100 C ILE A 7 0.903 3.602 -6.307 1.00 0.00 C ATOM 101 O ILE A 7 1.620 3.607 -7.304 1.00 0.00 O ATOM 102 CB ILE A 7 -0.930 5.261 -6.990 1.00 0.00 C ATOM 103 CG1 ILE A 7 -1.885 4.085 -7.273 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.331 5.784 -8.304 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.349 4.530 -7.288 1.00 0.00 C ATOM 0 H ILE A 7 1.608 6.198 -6.470 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.461 4.625 -5.030 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.476 6.101 -6.561 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.632 3.635 -8.233 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.747 3.315 -6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.135 6.045 -8.992 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.275 6.667 -8.102 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.293 5.011 -8.752 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.988 3.671 -7.491 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.610 4.956 -6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.493 5.281 -8.065 1.00 0.00 H new ATOM 117 N ALA A 8 0.773 2.540 -5.501 1.00 0.00 N ATOM 118 CA ALA A 8 1.442 1.265 -5.692 1.00 0.00 C ATOM 119 C ALA A 8 0.436 0.196 -6.126 1.00 0.00 C ATOM 120 O ALA A 8 -0.380 -0.243 -5.316 1.00 0.00 O ATOM 121 CB ALA A 8 2.184 0.862 -4.414 1.00 0.00 C ATOM 0 H ALA A 8 0.177 2.555 -4.673 1.00 0.00 H new ATOM 0 HA ALA A 8 2.181 1.363 -6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.682 -0.095 -4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.926 1.622 -4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.473 0.772 -3.593 1.00 0.00 H new ATOM 127 N TRP A 9 0.498 -0.229 -7.396 1.00 0.00 N ATOM 128 CA TRP A 9 -0.349 -1.285 -7.944 1.00 0.00 C ATOM 129 C TRP A 9 0.330 -2.640 -7.784 1.00 0.00 C ATOM 130 O TRP A 9 1.442 -2.822 -8.273 1.00 0.00 O ATOM 131 CB TRP A 9 -0.617 -1.030 -9.429 1.00 0.00 C ATOM 132 CG TRP A 9 -1.624 0.034 -9.709 1.00 0.00 C ATOM 133 CD1 TRP A 9 -2.956 -0.110 -9.557 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.426 1.384 -10.213 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.597 1.065 -9.876 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.700 2.017 -10.312 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.300 2.134 -10.611 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -2.849 3.336 -10.769 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.448 3.431 -11.134 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.712 4.046 -11.183 1.00 0.00 C ATOM 0 H TRP A 9 1.150 0.160 -8.077 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.293 -1.286 -7.400 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.322 -0.758 -9.912 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -0.954 -1.959 -9.888 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.448 -1.015 -9.232 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.603 1.212 -9.800 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.687 1.707 -10.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.825 3.798 -10.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.418 3.961 -11.502 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.807 5.061 -11.538 1.00 0.00 H new ATOM 151 N VAL A 10 -0.357 -3.588 -7.135 1.00 0.00 N ATOM 152 CA VAL A 10 0.129 -4.930 -6.866 1.00 0.00 C ATOM 153 C VAL A 10 -0.598 -5.905 -7.803 1.00 0.00 C ATOM 154 O VAL A 10 -1.827 -5.943 -7.807 1.00 0.00 O ATOM 155 CB VAL A 10 -0.125 -5.290 -5.388 1.00 0.00 C ATOM 156 CG1 VAL A 10 0.712 -6.512 -5.011 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.224 -4.177 -4.386 1.00 0.00 C ATOM 0 H VAL A 10 -1.297 -3.428 -6.774 1.00 0.00 H new ATOM 0 HA VAL A 10 1.202 -4.991 -7.046 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.198 -5.470 -5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.533 -6.767 -3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.432 -7.354 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.769 -6.287 -5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.013 -4.520 -3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.282 -3.929 -4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.375 -3.292 -4.602 1.00 0.00 H new ATOM 167 N TYR A 11 0.158 -6.692 -8.582 1.00 0.00 N ATOM 168 CA TYR A 11 -0.354 -7.706 -9.503 1.00 0.00 C ATOM 169 C TYR A 11 -0.337 -9.087 -8.846 1.00 0.00 C ATOM 170 O TYR A 11 0.083 -9.234 -7.699 1.00 0.00 O ATOM 171 CB TYR A 11 0.479 -7.730 -10.793 1.00 0.00 C ATOM 172 CG TYR A 11 0.330 -6.504 -11.667 1.00 0.00 C ATOM 173 CD1 TYR A 11 1.062 -5.333 -11.397 1.00 0.00 C ATOM 174 CD2 TYR A 11 -0.507 -6.562 -12.797 1.00 0.00 C ATOM 175 CE1 TYR A 11 0.970 -4.232 -12.264 1.00 0.00 C ATOM 176 CE2 TYR A 11 -0.597 -5.462 -13.665 1.00 0.00 C ATOM 177 CZ TYR A 11 0.144 -4.297 -13.400 1.00 0.00 C ATOM 178 OH TYR A 11 0.062 -3.232 -14.247 1.00 0.00 O ATOM 0 H TYR A 11 1.176 -6.635 -8.585 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.383 -7.449 -9.753 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.530 -7.845 -10.528 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.199 -8.609 -11.373 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.695 -5.281 -10.523 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.081 -7.455 -12.997 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.534 -3.334 -12.058 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.235 -5.511 -14.535 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.552 -3.444 -14.981 1.00 0.00 H new ATOM 188 N GLY A 12 -0.788 -10.105 -9.590 1.00 0.00 N ATOM 189 CA GLY A 12 -0.842 -11.472 -9.113 1.00 0.00 C ATOM 190 C GLY A 12 -1.920 -11.638 -8.049 1.00 0.00 C ATOM 191 O GLY A 12 -2.780 -10.775 -7.887 1.00 0.00 O ATOM 0 H GLY A 12 -1.126 -9.991 -10.546 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.043 -12.144 -9.947 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.127 -11.756 -8.701 1.00 0.00 H new ATOM 195 N ARG A 13 -1.880 -12.761 -7.333 1.00 0.00 N ATOM 196 CA ARG A 13 -2.942 -13.146 -6.413 1.00 0.00 C ATOM 197 C ARG A 13 -2.737 -12.537 -5.031 1.00 0.00 C ATOM 198 O ARG A 13 -2.045 -13.123 -4.208 1.00 0.00 O ATOM 199 CB ARG A 13 -3.026 -14.665 -6.273 1.00 0.00 C ATOM 200 CG ARG A 13 -3.031 -15.378 -7.623 1.00 0.00 C ATOM 201 CD ARG A 13 -3.532 -16.812 -7.450 1.00 0.00 C ATOM 202 NE ARG A 13 -3.137 -17.629 -8.602 1.00 0.00 N ATOM 203 CZ ARG A 13 -3.662 -18.817 -8.941 1.00 0.00 C ATOM 204 NH1 ARG A 13 -4.655 -19.366 -8.226 1.00 0.00 N ATOM 205 NH2 ARG A 13 -3.175 -19.459 -10.011 1.00 0.00 N ATOM 0 H ARG A 13 -1.109 -13.428 -7.377 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.872 -12.766 -6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.181 -15.019 -5.682 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.931 -14.926 -5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.670 -14.842 -8.325 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.026 -15.383 -8.046 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.123 -17.240 -6.534 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.617 -16.816 -7.347 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.397 -17.261 -9.200 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.024 -18.880 -7.409 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.041 -20.270 -8.499 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.417 -19.044 -10.553 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.562 -20.363 -10.283 1.00 0.00 H new ATOM 219 N VAL A 14 -3.346 -11.376 -4.782 1.00 0.00 N ATOM 220 CA VAL A 14 -3.157 -10.608 -3.550 1.00 0.00 C ATOM 221 C VAL A 14 -4.497 -10.370 -2.861 1.00 0.00 C ATOM 222 O VAL A 14 -4.603 -10.470 -1.639 1.00 0.00 O ATOM 223 CB VAL A 14 -2.445 -9.293 -3.887 1.00 0.00 C ATOM 224 CG1 VAL A 14 -2.006 -8.535 -2.623 1.00 0.00 C ATOM 225 CG2 VAL A 14 -1.193 -9.625 -4.690 1.00 0.00 C ATOM 0 H VAL A 14 -3.992 -10.938 -5.438 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.535 -11.168 -2.852 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.139 -8.663 -4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.506 -7.610 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.881 -8.302 -2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.320 -9.155 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.668 -8.704 -4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.539 -10.265 -4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.475 -10.144 -5.606 1.00 0.00 H new ATOM 235 N GLN A 15 -5.525 -10.053 -3.657 1.00 0.00 N ATOM 236 CA GLN A 15 -6.874 -9.856 -3.165 1.00 0.00 C ATOM 237 C GLN A 15 -7.463 -11.192 -2.712 1.00 0.00 C ATOM 238 O GLN A 15 -7.180 -12.232 -3.303 1.00 0.00 O ATOM 239 CB GLN A 15 -7.733 -9.156 -4.221 1.00 0.00 C ATOM 240 CG GLN A 15 -8.037 -9.962 -5.485 1.00 0.00 C ATOM 241 CD GLN A 15 -9.084 -9.224 -6.315 1.00 0.00 C ATOM 242 OE1 GLN A 15 -10.149 -9.768 -6.600 1.00 0.00 O ATOM 243 NE2 GLN A 15 -8.799 -7.976 -6.684 1.00 0.00 N ATOM 0 H GLN A 15 -5.433 -9.928 -4.665 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.855 -9.200 -2.295 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.679 -8.872 -3.760 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.231 -8.234 -4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.127 -10.102 -6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.401 -10.954 -5.219 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.904 -7.560 -6.428 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.476 -7.436 -7.223 1.00 0.00 H new ATOM 252 N GLY A 16 -8.272 -11.159 -1.648 1.00 0.00 N ATOM 253 CA GLY A 16 -8.939 -12.335 -1.116 1.00 0.00 C ATOM 254 C GLY A 16 -8.036 -13.207 -0.238 1.00 0.00 C ATOM 255 O GLY A 16 -8.421 -14.329 0.081 1.00 0.00 O ATOM 0 H GLY A 16 -8.479 -10.304 -1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.804 -12.019 -0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.315 -12.935 -1.944 1.00 0.00 H new ATOM 259 N VAL A 17 -6.859 -12.703 0.165 1.00 0.00 N ATOM 260 CA VAL A 17 -5.920 -13.411 1.032 1.00 0.00 C ATOM 261 C VAL A 17 -5.906 -12.761 2.415 1.00 0.00 C ATOM 262 O VAL A 17 -6.014 -13.460 3.420 1.00 0.00 O ATOM 263 CB VAL A 17 -4.523 -13.437 0.387 1.00 0.00 C ATOM 264 CG1 VAL A 17 -3.485 -14.066 1.327 1.00 0.00 C ATOM 265 CG2 VAL A 17 -4.561 -14.246 -0.918 1.00 0.00 C ATOM 0 H VAL A 17 -6.533 -11.776 -0.110 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.238 -14.446 1.157 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.235 -12.406 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.509 -14.069 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.430 -13.486 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.778 -15.090 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.568 -14.259 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.876 -15.267 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.267 -13.787 -1.610 1.00 0.00 H new ATOM 275 N GLY A 18 -5.767 -11.431 2.458 1.00 0.00 N ATOM 276 CA GLY A 18 -5.666 -10.654 3.681 1.00 0.00 C ATOM 277 C GLY A 18 -4.365 -9.863 3.750 1.00 0.00 C ATOM 278 O GLY A 18 -3.884 -9.600 4.847 1.00 0.00 O ATOM 0 H GLY A 18 -5.721 -10.858 1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.511 -9.968 3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.731 -11.321 4.541 1.00 0.00 H new ATOM 282 N PHE A 19 -3.807 -9.466 2.596 1.00 0.00 N ATOM 283 CA PHE A 19 -2.578 -8.684 2.531 1.00 0.00 C ATOM 284 C PHE A 19 -2.663 -7.443 3.427 1.00 0.00 C ATOM 285 O PHE A 19 -1.685 -7.070 4.061 1.00 0.00 O ATOM 286 CB PHE A 19 -2.277 -8.299 1.074 1.00 0.00 C ATOM 287 CG PHE A 19 -0.801 -8.326 0.725 1.00 0.00 C ATOM 288 CD1 PHE A 19 -0.173 -9.558 0.466 1.00 0.00 C ATOM 289 CD2 PHE A 19 -0.047 -7.139 0.673 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.181 -9.593 0.094 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.337 -7.197 0.428 1.00 0.00 C ATOM 292 CZ PHE A 19 1.945 -8.416 0.091 1.00 0.00 C ATOM 0 H PHE A 19 -4.203 -9.683 1.681 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.757 -9.296 2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.810 -8.980 0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.667 -7.299 0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.732 -10.478 0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.530 -6.185 0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.636 -10.530 -0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.934 -6.300 0.500 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.993 -8.448 -0.169 1.00 0.00 H new ATOM 302 N ARG A 20 -3.848 -6.830 3.511 1.00 0.00 N ATOM 303 CA ARG A 20 -4.123 -5.651 4.318 1.00 0.00 C ATOM 304 C ARG A 20 -4.211 -5.985 5.820 1.00 0.00 C ATOM 305 O ARG A 20 -5.208 -5.669 6.466 1.00 0.00 O ATOM 306 CB ARG A 20 -5.398 -4.955 3.800 1.00 0.00 C ATOM 307 CG ARG A 20 -6.628 -5.881 3.809 1.00 0.00 C ATOM 308 CD ARG A 20 -6.936 -6.480 2.431 1.00 0.00 C ATOM 309 NE ARG A 20 -7.703 -7.725 2.576 1.00 0.00 N ATOM 310 CZ ARG A 20 -7.833 -8.666 1.626 1.00 0.00 C ATOM 311 NH1 ARG A 20 -7.336 -8.466 0.398 1.00 0.00 N ATOM 312 NH2 ARG A 20 -8.455 -9.818 1.917 1.00 0.00 N ATOM 0 H ARG A 20 -4.667 -7.158 2.998 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.287 -4.959 4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.604 -4.079 4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.225 -4.598 2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.463 -6.689 4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.495 -5.321 4.158 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.501 -5.764 1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.007 -6.678 1.897 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.173 -7.887 3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.854 -7.594 0.178 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.439 -9.186 -0.317 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.825 -9.975 2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.558 -10.537 1.201 1.00 0.00 H new ATOM 326 N TYR A 21 -3.158 -6.595 6.381 1.00 0.00 N ATOM 327 CA TYR A 21 -3.071 -6.984 7.782 1.00 0.00 C ATOM 328 C TYR A 21 -2.092 -6.063 8.506 1.00 0.00 C ATOM 329 O TYR A 21 -2.506 -5.215 9.295 1.00 0.00 O ATOM 330 CB TYR A 21 -2.666 -8.462 7.888 1.00 0.00 C ATOM 331 CG TYR A 21 -2.952 -9.081 9.240 1.00 0.00 C ATOM 332 CD1 TYR A 21 -4.284 -9.355 9.602 1.00 0.00 C ATOM 333 CD2 TYR A 21 -1.905 -9.413 10.121 1.00 0.00 C ATOM 334 CE1 TYR A 21 -4.572 -9.955 10.839 1.00 0.00 C ATOM 335 CE2 TYR A 21 -2.193 -10.021 11.356 1.00 0.00 C ATOM 336 CZ TYR A 21 -3.526 -10.292 11.716 1.00 0.00 C ATOM 337 OH TYR A 21 -3.811 -10.885 12.911 1.00 0.00 O ATOM 0 H TYR A 21 -2.321 -6.836 5.850 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.043 -6.878 8.264 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.193 -9.029 7.121 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.601 -8.553 7.676 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.088 -9.103 8.926 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.882 -9.201 9.849 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.596 -10.157 11.116 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.389 -10.280 12.029 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.978 -11.054 13.399 1.00 0.00 H new ATOM 347 N THR A 22 -0.794 -6.219 8.220 1.00 0.00 N ATOM 348 CA THR A 22 0.256 -5.417 8.834 1.00 0.00 C ATOM 349 C THR A 22 0.230 -3.974 8.324 1.00 0.00 C ATOM 350 O THR A 22 0.737 -3.088 9.008 1.00 0.00 O ATOM 351 CB THR A 22 1.631 -6.083 8.657 1.00 0.00 C ATOM 352 OG1 THR A 22 2.570 -5.449 9.502 1.00 0.00 O ATOM 353 CG2 THR A 22 2.144 -6.039 7.214 1.00 0.00 C ATOM 0 H THR A 22 -0.447 -6.909 7.553 1.00 0.00 H new ATOM 0 HA THR A 22 0.063 -5.367 9.906 1.00 0.00 H new ATOM 0 HB THR A 22 1.510 -7.134 8.921 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.447 -5.872 9.392 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.118 -6.526 7.159 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.442 -6.558 6.562 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.238 -5.002 6.893 1.00 0.00 H new ATOM 361 N THR A 23 -0.372 -3.739 7.144 1.00 0.00 N ATOM 362 CA THR A 23 -0.505 -2.412 6.554 1.00 0.00 C ATOM 363 C THR A 23 -1.007 -1.384 7.577 1.00 0.00 C ATOM 364 O THR A 23 -0.529 -0.255 7.581 1.00 0.00 O ATOM 365 CB THR A 23 -1.393 -2.466 5.295 1.00 0.00 C ATOM 366 OG1 THR A 23 -1.232 -1.275 4.552 1.00 0.00 O ATOM 367 CG2 THR A 23 -2.881 -2.664 5.588 1.00 0.00 C ATOM 0 H THR A 23 -0.781 -4.479 6.574 1.00 0.00 H new ATOM 0 HA THR A 23 0.485 -2.077 6.244 1.00 0.00 H new ATOM 0 HB THR A 23 -1.063 -3.339 4.732 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.046 -0.734 4.621 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.436 -2.691 4.650 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.025 -3.603 6.122 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.244 -1.839 6.201 1.00 0.00 H new ATOM 375 N GLN A 24 -1.934 -1.785 8.461 1.00 0.00 N ATOM 376 CA GLN A 24 -2.472 -0.942 9.520 1.00 0.00 C ATOM 377 C GLN A 24 -1.404 -0.687 10.586 1.00 0.00 C ATOM 378 O GLN A 24 -1.111 0.467 10.889 1.00 0.00 O ATOM 379 CB GLN A 24 -3.714 -1.598 10.141 1.00 0.00 C ATOM 380 CG GLN A 24 -4.891 -1.671 9.152 1.00 0.00 C ATOM 381 CD GLN A 24 -6.041 -0.733 9.492 1.00 0.00 C ATOM 382 OE1 GLN A 24 -6.407 -0.569 10.654 1.00 0.00 O ATOM 383 NE2 GLN A 24 -6.658 -0.152 8.467 1.00 0.00 N ATOM 0 H GLN A 24 -2.333 -2.724 8.453 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.767 0.016 9.093 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.462 -2.604 10.477 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.018 -1.034 11.023 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.527 -1.436 8.152 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.266 -2.694 9.123 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.326 -0.311 7.516 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.463 0.453 8.632 1.00 0.00 H new ATOM 392 N TYR A 25 -0.845 -1.758 11.166 1.00 0.00 N ATOM 393 CA TYR A 25 0.130 -1.686 12.253 1.00 0.00 C ATOM 394 C TYR A 25 1.286 -0.752 11.892 1.00 0.00 C ATOM 395 O TYR A 25 1.550 0.213 12.606 1.00 0.00 O ATOM 396 CB TYR A 25 0.648 -3.095 12.597 1.00 0.00 C ATOM 397 CG TYR A 25 0.728 -3.381 14.085 1.00 0.00 C ATOM 398 CD1 TYR A 25 1.853 -2.984 14.834 1.00 0.00 C ATOM 399 CD2 TYR A 25 -0.325 -4.065 14.720 1.00 0.00 C ATOM 400 CE1 TYR A 25 1.934 -3.297 16.203 1.00 0.00 C ATOM 401 CE2 TYR A 25 -0.244 -4.378 16.087 1.00 0.00 C ATOM 402 CZ TYR A 25 0.888 -3.998 16.829 1.00 0.00 C ATOM 403 OH TYR A 25 0.975 -4.309 18.155 1.00 0.00 O ATOM 0 H TYR A 25 -1.064 -2.714 10.885 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.365 -1.275 13.133 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.004 -3.834 12.131 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.638 -3.223 12.160 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.654 -2.439 14.357 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.199 -4.351 14.154 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.801 -2.999 16.774 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.051 -4.910 16.568 1.00 0.00 H new ATOM 0 HH TYR A 25 0.169 -4.793 18.431 1.00 0.00 H new ATOM 413 N GLU A 26 1.959 -1.043 10.771 1.00 0.00 N ATOM 414 CA GLU A 26 3.068 -0.241 10.271 1.00 0.00 C ATOM 415 C GLU A 26 2.625 1.207 10.072 1.00 0.00 C ATOM 416 O GLU A 26 3.265 2.128 10.577 1.00 0.00 O ATOM 417 CB GLU A 26 3.603 -0.833 8.958 1.00 0.00 C ATOM 418 CG GLU A 26 4.950 -1.551 9.144 1.00 0.00 C ATOM 419 CD GLU A 26 6.096 -0.615 9.542 1.00 0.00 C ATOM 420 OE1 GLU A 26 5.919 0.618 9.418 1.00 0.00 O ATOM 421 OE2 GLU A 26 7.138 -1.155 9.971 1.00 0.00 O ATOM 0 H GLU A 26 1.742 -1.850 10.186 1.00 0.00 H new ATOM 0 HA GLU A 26 3.873 -0.255 11.006 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.873 -1.535 8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.718 -0.036 8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.839 -2.321 9.908 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.213 -2.058 8.216 1.00 0.00 H new ATOM 428 N ALA A 27 1.513 1.397 9.349 1.00 0.00 N ATOM 429 CA ALA A 27 0.955 2.714 9.081 1.00 0.00 C ATOM 430 C ALA A 27 0.707 3.514 10.360 1.00 0.00 C ATOM 431 O ALA A 27 0.787 4.739 10.337 1.00 0.00 O ATOM 432 CB ALA A 27 -0.349 2.583 8.290 1.00 0.00 C ATOM 0 H ALA A 27 0.979 0.633 8.935 1.00 0.00 H new ATOM 0 HA ALA A 27 1.692 3.260 8.492 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.758 3.575 8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.151 2.080 7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.068 2.001 8.867 1.00 0.00 H new ATOM 438 N LYS A 28 0.414 2.824 11.469 1.00 0.00 N ATOM 439 CA LYS A 28 0.193 3.441 12.767 1.00 0.00 C ATOM 440 C LYS A 28 1.469 4.123 13.282 1.00 0.00 C ATOM 441 O LYS A 28 1.387 5.172 13.919 1.00 0.00 O ATOM 442 CB LYS A 28 -0.307 2.393 13.775 1.00 0.00 C ATOM 443 CG LYS A 28 -1.293 3.031 14.758 1.00 0.00 C ATOM 444 CD LYS A 28 -1.385 2.232 16.062 1.00 0.00 C ATOM 445 CE LYS A 28 -2.383 2.898 17.020 1.00 0.00 C ATOM 446 NZ LYS A 28 -1.844 3.004 18.387 1.00 0.00 N ATOM 0 H LYS A 28 0.324 1.808 11.482 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.571 4.210 12.653 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.790 1.571 13.246 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.537 1.970 14.319 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.980 4.052 14.977 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.279 3.092 14.297 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.699 1.210 15.850 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.403 2.173 16.531 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.633 3.892 16.650 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.308 2.322 17.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.548 3.459 19.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.629 2.053 18.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.975 3.575 18.374 1.00 0.00 H new ATOM 460 N ARG A 29 2.639 3.526 13.019 1.00 0.00 N ATOM 461 CA ARG A 29 3.933 4.021 13.468 1.00 0.00 C ATOM 462 C ARG A 29 4.325 5.272 12.678 1.00 0.00 C ATOM 463 O ARG A 29 4.718 6.278 13.264 1.00 0.00 O ATOM 464 CB ARG A 29 4.992 2.925 13.293 1.00 0.00 C ATOM 465 CG ARG A 29 4.667 1.653 14.093 1.00 0.00 C ATOM 466 CD ARG A 29 5.379 0.430 13.493 1.00 0.00 C ATOM 467 NE ARG A 29 6.079 -0.371 14.504 1.00 0.00 N ATOM 468 CZ ARG A 29 7.192 0.007 15.151 1.00 0.00 C ATOM 469 NH1 ARG A 29 7.764 1.193 14.896 1.00 0.00 N ATOM 470 NH2 ARG A 29 7.733 -0.811 16.064 1.00 0.00 N ATOM 0 H ARG A 29 2.706 2.666 12.475 1.00 0.00 H new ATOM 0 HA ARG A 29 3.868 4.287 14.523 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.077 2.673 12.236 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.962 3.309 13.608 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.973 1.784 15.131 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.590 1.486 14.096 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.648 -0.196 12.982 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.094 0.764 12.741 1.00 0.00 H new ATOM 0 HE ARG A 29 5.689 -1.286 14.732 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.353 1.819 14.204 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.610 1.469 15.395 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.299 -1.712 16.262 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.579 -0.532 16.561 1.00 0.00 H new ATOM 484 N LEU A 30 4.220 5.200 11.347 1.00 0.00 N ATOM 485 CA LEU A 30 4.538 6.300 10.444 1.00 0.00 C ATOM 486 C LEU A 30 3.534 7.441 10.606 1.00 0.00 C ATOM 487 O LEU A 30 3.912 8.608 10.534 1.00 0.00 O ATOM 488 CB LEU A 30 4.538 5.778 9.002 1.00 0.00 C ATOM 489 CG LEU A 30 5.879 5.165 8.565 1.00 0.00 C ATOM 490 CD1 LEU A 30 6.555 4.258 9.599 1.00 0.00 C ATOM 491 CD2 LEU A 30 5.629 4.364 7.287 1.00 0.00 C ATOM 0 H LEU A 30 3.906 4.359 10.863 1.00 0.00 H new ATOM 0 HA LEU A 30 5.525 6.693 10.687 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.754 5.028 8.897 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.287 6.597 8.329 1.00 0.00 H new ATOM 0 HG LEU A 30 6.569 5.997 8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.492 3.878 9.192 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.758 4.828 10.506 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.897 3.422 9.835 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.563 3.915 6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.900 3.578 7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.245 5.027 6.512 1.00 0.00 H new ATOM 503 N GLY A 31 2.257 7.099 10.809 1.00 0.00 N ATOM 504 CA GLY A 31 1.171 8.059 10.939 1.00 0.00 C ATOM 505 C GLY A 31 0.697 8.599 9.590 1.00 0.00 C ATOM 506 O GLY A 31 -0.050 9.575 9.551 1.00 0.00 O ATOM 0 H GLY A 31 1.951 6.129 10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.333 7.586 11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.499 8.890 11.564 1.00 0.00 H new ATOM 510 N LEU A 32 1.116 7.964 8.489 1.00 0.00 N ATOM 511 CA LEU A 32 0.689 8.312 7.141 1.00 0.00 C ATOM 512 C LEU A 32 -0.786 7.972 6.931 1.00 0.00 C ATOM 513 O LEU A 32 -1.442 7.428 7.820 1.00 0.00 O ATOM 514 CB LEU A 32 1.592 7.618 6.111 1.00 0.00 C ATOM 515 CG LEU A 32 1.152 6.213 5.666 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.224 5.629 4.770 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.935 5.246 6.826 1.00 0.00 C ATOM 0 H LEU A 32 1.771 7.183 8.517 1.00 0.00 H new ATOM 0 HA LEU A 32 0.788 9.389 7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.657 8.253 5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.597 7.547 6.527 1.00 0.00 H new ATOM 0 HG LEU A 32 0.198 6.332 5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.925 4.632 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.357 6.269 3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.163 5.566 5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.626 4.275 6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.864 5.134 7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.160 5.636 7.485 1.00 0.00 H new ATOM 529 N THR A 33 -1.309 8.292 5.745 1.00 0.00 N ATOM 530 CA THR A 33 -2.712 8.084 5.434 1.00 0.00 C ATOM 531 C THR A 33 -2.818 7.174 4.210 1.00 0.00 C ATOM 532 O THR A 33 -1.826 6.574 3.807 1.00 0.00 O ATOM 533 CB THR A 33 -3.371 9.448 5.217 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.881 10.049 4.039 1.00 0.00 O ATOM 535 CG2 THR A 33 -3.146 10.397 6.401 1.00 0.00 C ATOM 0 H THR A 33 -0.769 8.700 4.982 1.00 0.00 H new ATOM 0 HA THR A 33 -3.236 7.590 6.252 1.00 0.00 H new ATOM 0 HB THR A 33 -4.443 9.270 5.126 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.049 11.014 4.070 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.632 11.351 6.200 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.569 9.958 7.305 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.077 10.557 6.541 1.00 0.00 H new ATOM 543 N GLY A 34 -4.001 7.098 3.592 1.00 0.00 N ATOM 544 CA GLY A 34 -4.195 6.418 2.323 1.00 0.00 C ATOM 545 C GLY A 34 -5.222 5.319 2.465 1.00 0.00 C ATOM 546 O GLY A 34 -6.110 5.396 3.311 1.00 0.00 O ATOM 0 H GLY A 34 -4.854 7.513 3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.520 7.132 1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.249 5.998 1.980 1.00 0.00 H new ATOM 550 N TYR A 35 -5.084 4.294 1.627 1.00 0.00 N ATOM 551 CA TYR A 35 -5.901 3.095 1.718 1.00 0.00 C ATOM 552 C TYR A 35 -5.407 2.002 0.775 1.00 0.00 C ATOM 553 O TYR A 35 -4.648 2.279 -0.151 1.00 0.00 O ATOM 554 CB TYR A 35 -7.374 3.410 1.417 1.00 0.00 C ATOM 555 CG TYR A 35 -7.620 3.828 -0.016 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.551 5.183 -0.391 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.810 2.841 -0.997 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.748 5.551 -1.733 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.940 3.207 -2.343 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.984 4.564 -2.702 1.00 0.00 C ATOM 561 OH TYR A 35 -8.275 4.936 -3.981 1.00 0.00 O ATOM 0 H TYR A 35 -4.403 4.275 0.868 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.816 2.729 2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.978 2.531 1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.711 4.205 2.082 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.347 5.940 0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.856 1.800 -0.714 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.718 6.592 -2.018 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.006 2.445 -3.105 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.838 5.790 -4.181 1.00 0.00 H new ATOM 571 N ALA A 36 -5.881 0.770 1.009 1.00 0.00 N ATOM 572 CA ALA A 36 -5.529 -0.403 0.218 1.00 0.00 C ATOM 573 C ALA A 36 -6.770 -1.117 -0.329 1.00 0.00 C ATOM 574 O ALA A 36 -7.278 -2.011 0.341 1.00 0.00 O ATOM 575 CB ALA A 36 -4.697 -1.338 1.102 1.00 0.00 C ATOM 0 H ALA A 36 -6.531 0.564 1.768 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.949 -0.093 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.420 -2.226 0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.795 -0.821 1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.283 -1.633 1.972 1.00 0.00 H new ATOM 581 N LYS A 37 -7.247 -0.755 -1.534 1.00 0.00 N ATOM 582 CA LYS A 37 -8.405 -1.360 -2.180 1.00 0.00 C ATOM 583 C LYS A 37 -7.981 -2.510 -3.093 1.00 0.00 C ATOM 584 O LYS A 37 -6.792 -2.775 -3.249 1.00 0.00 O ATOM 585 CB LYS A 37 -9.200 -0.297 -2.947 1.00 0.00 C ATOM 586 CG LYS A 37 -8.594 0.032 -4.316 1.00 0.00 C ATOM 587 CD LYS A 37 -9.285 1.186 -5.062 1.00 0.00 C ATOM 588 CE LYS A 37 -8.230 1.960 -5.872 1.00 0.00 C ATOM 589 NZ LYS A 37 -8.699 2.371 -7.203 1.00 0.00 N ATOM 0 H LYS A 37 -6.821 -0.015 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.055 -1.778 -1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.224 -0.645 -3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.250 0.613 -2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.542 0.282 -4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.633 -0.861 -4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.058 0.797 -5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.778 1.851 -4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.931 2.846 -5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.342 1.338 -5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.085 3.127 -7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.668 1.556 -7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.676 2.721 -7.134 1.00 0.00 H new ATOM 603 N ASN A 38 -8.966 -3.164 -3.722 1.00 0.00 N ATOM 604 CA ASN A 38 -8.757 -4.276 -4.644 1.00 0.00 C ATOM 605 C ASN A 38 -9.357 -3.941 -6.016 1.00 0.00 C ATOM 606 O ASN A 38 -10.425 -3.337 -6.088 1.00 0.00 O ATOM 607 CB ASN A 38 -9.327 -5.572 -4.052 1.00 0.00 C ATOM 608 CG ASN A 38 -8.730 -5.978 -2.708 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.865 -5.319 -2.138 1.00 0.00 O ATOM 610 ND2 ASN A 38 -9.205 -7.102 -2.181 1.00 0.00 N ATOM 0 H ASN A 38 -9.950 -2.926 -3.598 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.689 -4.436 -4.790 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.405 -5.458 -3.936 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.167 -6.381 -4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.851 -7.434 -1.284 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.924 -7.632 -2.674 1.00 0.00 H new ATOM 617 N LEU A 39 -8.661 -4.331 -7.094 1.00 0.00 N ATOM 618 CA LEU A 39 -9.119 -4.201 -8.475 1.00 0.00 C ATOM 619 C LEU A 39 -10.206 -5.237 -8.774 1.00 0.00 C ATOM 620 O LEU A 39 -10.513 -6.092 -7.948 1.00 0.00 O ATOM 621 CB LEU A 39 -7.935 -4.345 -9.467 1.00 0.00 C ATOM 622 CG LEU A 39 -7.142 -3.047 -9.717 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.953 -3.264 -10.662 1.00 0.00 C ATOM 624 CD2 LEU A 39 -8.002 -1.968 -10.387 1.00 0.00 C ATOM 0 H LEU A 39 -7.737 -4.757 -7.021 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.544 -3.206 -8.603 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.252 -5.105 -9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.319 -4.709 -10.420 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.808 -2.736 -8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.426 -2.321 -10.807 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.273 -3.997 -10.228 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.314 -3.629 -11.623 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.403 -1.071 -10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.364 -2.336 -11.347 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.851 -1.730 -9.746 1.00 0.00 H new ATOM 636 N ASP A 40 -10.782 -5.152 -9.977 1.00 0.00 N ATOM 637 CA ASP A 40 -11.801 -6.073 -10.470 1.00 0.00 C ATOM 638 C ASP A 40 -11.198 -7.127 -11.407 1.00 0.00 C ATOM 639 O ASP A 40 -11.948 -7.827 -12.087 1.00 0.00 O ATOM 640 CB ASP A 40 -12.905 -5.267 -11.169 1.00 0.00 C ATOM 641 CG ASP A 40 -13.626 -4.339 -10.197 1.00 0.00 C ATOM 642 OD1 ASP A 40 -14.598 -4.815 -9.571 1.00 0.00 O ATOM 643 OD2 ASP A 40 -13.191 -3.171 -10.093 1.00 0.00 O ATOM 0 H ASP A 40 -10.544 -4.422 -10.648 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.231 -6.615 -9.628 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.470 -4.680 -11.978 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.624 -5.950 -11.621 1.00 0.00 H new ATOM 648 N ASP A 41 -9.862 -7.252 -11.441 1.00 0.00 N ATOM 649 CA ASP A 41 -9.143 -8.183 -12.308 1.00 0.00 C ATOM 650 C ASP A 41 -8.315 -9.194 -11.509 1.00 0.00 C ATOM 651 O ASP A 41 -7.797 -10.147 -12.089 1.00 0.00 O ATOM 652 CB ASP A 41 -8.256 -7.385 -13.273 1.00 0.00 C ATOM 653 CG ASP A 41 -7.943 -8.177 -14.540 1.00 0.00 C ATOM 654 OD1 ASP A 41 -8.881 -8.337 -15.353 1.00 0.00 O ATOM 655 OD2 ASP A 41 -6.776 -8.601 -14.680 1.00 0.00 O ATOM 0 H ASP A 41 -9.244 -6.694 -10.852 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.873 -8.762 -12.874 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.755 -6.454 -13.540 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.325 -7.116 -12.773 1.00 0.00 H new ATOM 660 N GLY A 42 -8.196 -8.999 -10.188 1.00 0.00 N ATOM 661 CA GLY A 42 -7.506 -9.891 -9.276 1.00 0.00 C ATOM 662 C GLY A 42 -6.268 -9.281 -8.622 1.00 0.00 C ATOM 663 O GLY A 42 -5.374 -10.018 -8.224 1.00 0.00 O ATOM 0 H GLY A 42 -8.595 -8.185 -9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.200 -10.202 -8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.212 -10.790 -9.818 1.00 0.00 H new ATOM 667 N SER A 43 -6.217 -7.952 -8.518 1.00 0.00 N ATOM 668 CA SER A 43 -5.052 -7.182 -8.068 1.00 0.00 C ATOM 669 C SER A 43 -5.406 -6.264 -6.887 1.00 0.00 C ATOM 670 O SER A 43 -6.576 -6.150 -6.535 1.00 0.00 O ATOM 671 CB SER A 43 -4.483 -6.385 -9.253 1.00 0.00 C ATOM 672 OG SER A 43 -5.344 -6.389 -10.377 1.00 0.00 O ATOM 0 H SER A 43 -7.013 -7.359 -8.753 1.00 0.00 H new ATOM 0 HA SER A 43 -4.289 -7.871 -7.707 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.304 -5.356 -8.941 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.518 -6.804 -9.538 1.00 0.00 H new ATOM 0 HG SER A 43 -4.876 -6.009 -11.149 1.00 0.00 H new ATOM 678 N VAL A 44 -4.397 -5.647 -6.244 1.00 0.00 N ATOM 679 CA VAL A 44 -4.577 -4.817 -5.047 1.00 0.00 C ATOM 680 C VAL A 44 -3.878 -3.467 -5.218 1.00 0.00 C ATOM 681 O VAL A 44 -2.695 -3.438 -5.536 1.00 0.00 O ATOM 682 CB VAL A 44 -4.062 -5.580 -3.812 1.00 0.00 C ATOM 683 CG1 VAL A 44 -4.107 -4.734 -2.530 1.00 0.00 C ATOM 684 CG2 VAL A 44 -4.955 -6.804 -3.577 1.00 0.00 C ATOM 0 H VAL A 44 -3.425 -5.714 -6.547 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.637 -4.610 -4.901 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.026 -5.851 -4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.733 -5.323 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.486 -3.847 -2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.135 -4.431 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.599 -7.352 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.981 -6.478 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.920 -7.453 -4.452 1.00 0.00 H new ATOM 694 N GLU A 45 -4.591 -2.355 -5.003 1.00 0.00 N ATOM 695 CA GLU A 45 -4.060 -1.008 -5.185 1.00 0.00 C ATOM 696 C GLU A 45 -3.858 -0.336 -3.825 1.00 0.00 C ATOM 697 O GLU A 45 -4.818 -0.215 -3.065 1.00 0.00 O ATOM 698 CB GLU A 45 -5.038 -0.161 -6.003 1.00 0.00 C ATOM 699 CG GLU A 45 -5.725 -0.923 -7.142 1.00 0.00 C ATOM 700 CD GLU A 45 -6.606 -0.010 -7.991 1.00 0.00 C ATOM 701 OE1 GLU A 45 -6.057 0.924 -8.613 1.00 0.00 O ATOM 702 OE2 GLU A 45 -7.839 -0.220 -7.956 1.00 0.00 O ATOM 0 H GLU A 45 -5.563 -2.370 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.107 -1.084 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.801 0.239 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.502 0.691 -6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.969 -1.388 -7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.331 -1.728 -6.726 1.00 0.00 H new ATOM 709 N VAL A 46 -2.634 0.112 -3.528 1.00 0.00 N ATOM 710 CA VAL A 46 -2.278 0.711 -2.245 1.00 0.00 C ATOM 711 C VAL A 46 -1.852 2.162 -2.471 1.00 0.00 C ATOM 712 O VAL A 46 -1.117 2.434 -3.414 1.00 0.00 O ATOM 713 CB VAL A 46 -1.148 -0.122 -1.615 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.716 0.409 -0.243 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.591 -1.579 -1.426 1.00 0.00 C ATOM 0 H VAL A 46 -1.854 0.066 -4.184 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.128 0.714 -1.563 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.307 -0.052 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.083 -0.217 0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.358 1.433 -0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.566 0.388 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.778 -2.151 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.461 -1.613 -0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.849 -2.009 -2.394 1.00 0.00 H new ATOM 725 N VAL A 47 -2.308 3.093 -1.626 1.00 0.00 N ATOM 726 CA VAL A 47 -2.011 4.521 -1.737 1.00 0.00 C ATOM 727 C VAL A 47 -1.514 5.032 -0.386 1.00 0.00 C ATOM 728 O VAL A 47 -1.998 4.560 0.640 1.00 0.00 O ATOM 729 CB VAL A 47 -3.274 5.307 -2.131 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.901 6.675 -2.714 1.00 0.00 C ATOM 731 CG2 VAL A 47 -4.159 4.570 -3.147 1.00 0.00 C ATOM 0 H VAL A 47 -2.906 2.868 -0.831 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.250 4.664 -2.504 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.846 5.422 -1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.808 7.214 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.347 7.248 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.282 6.536 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.031 5.181 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.591 4.386 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.484 3.619 -2.724 1.00 0.00 H new ATOM 741 N ALA A 48 -0.560 5.975 -0.384 1.00 0.00 N ATOM 742 CA ALA A 48 0.031 6.469 0.857 1.00 0.00 C ATOM 743 C ALA A 48 0.591 7.871 0.663 1.00 0.00 C ATOM 744 O ALA A 48 1.174 8.133 -0.385 1.00 0.00 O ATOM 745 CB ALA A 48 1.172 5.531 1.239 1.00 0.00 C ATOM 0 H ALA A 48 -0.186 6.407 -1.229 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.731 6.503 1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.633 5.877 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.782 4.523 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.917 5.522 0.444 1.00 0.00 H new ATOM 751 N CYS A 49 0.438 8.743 1.667 1.00 0.00 N ATOM 752 CA CYS A 49 0.900 10.131 1.647 1.00 0.00 C ATOM 753 C CYS A 49 2.050 10.359 2.623 1.00 0.00 C ATOM 754 O CYS A 49 2.486 9.437 3.306 1.00 0.00 O ATOM 755 CB CYS A 49 -0.301 11.028 1.957 1.00 0.00 C ATOM 756 SG CYS A 49 -1.424 11.267 0.556 1.00 0.00 S ATOM 0 H CYS A 49 -0.025 8.492 2.541 1.00 0.00 H new ATOM 0 HA CYS A 49 1.299 10.376 0.663 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.859 10.596 2.787 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.061 12.001 2.289 1.00 0.00 H new ATOM 761 N GLY A 50 2.545 11.601 2.676 1.00 0.00 N ATOM 762 CA GLY A 50 3.635 11.993 3.552 1.00 0.00 C ATOM 763 C GLY A 50 4.963 11.923 2.808 1.00 0.00 C ATOM 764 O GLY A 50 4.994 11.927 1.582 1.00 0.00 O ATOM 0 H GLY A 50 2.190 12.365 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.469 13.006 3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.664 11.339 4.423 1.00 0.00 H new ATOM 768 N GLU A 51 6.059 11.877 3.566 1.00 0.00 N ATOM 769 CA GLU A 51 7.413 11.784 3.040 1.00 0.00 C ATOM 770 C GLU A 51 7.704 10.363 2.552 1.00 0.00 C ATOM 771 O GLU A 51 7.588 9.414 3.323 1.00 0.00 O ATOM 772 CB GLU A 51 8.414 12.244 4.108 1.00 0.00 C ATOM 773 CG GLU A 51 8.233 11.539 5.463 1.00 0.00 C ATOM 774 CD GLU A 51 7.936 12.521 6.589 1.00 0.00 C ATOM 775 OE1 GLU A 51 8.857 13.294 6.927 1.00 0.00 O ATOM 776 OE2 GLU A 51 6.786 12.485 7.081 1.00 0.00 O ATOM 0 H GLU A 51 6.025 11.904 4.585 1.00 0.00 H new ATOM 0 HA GLU A 51 7.515 12.443 2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.427 12.065 3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.312 13.320 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.420 10.817 5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.136 10.978 5.702 1.00 0.00 H new ATOM 783 N GLU A 52 8.095 10.230 1.276 1.00 0.00 N ATOM 784 CA GLU A 52 8.345 8.947 0.628 1.00 0.00 C ATOM 785 C GLU A 52 9.281 8.101 1.484 1.00 0.00 C ATOM 786 O GLU A 52 9.007 6.934 1.723 1.00 0.00 O ATOM 787 CB GLU A 52 8.949 9.133 -0.775 1.00 0.00 C ATOM 788 CG GLU A 52 8.224 8.286 -1.832 1.00 0.00 C ATOM 789 CD GLU A 52 8.109 6.816 -1.427 1.00 0.00 C ATOM 790 OE1 GLU A 52 9.171 6.165 -1.350 1.00 0.00 O ATOM 791 OE2 GLU A 52 6.964 6.373 -1.186 1.00 0.00 O ATOM 0 H GLU A 52 8.247 11.029 0.660 1.00 0.00 H new ATOM 0 HA GLU A 52 7.388 8.437 0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.897 10.185 -1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.004 8.861 -0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.226 8.693 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.758 8.358 -2.779 1.00 0.00 H new ATOM 798 N GLY A 53 10.366 8.716 1.965 1.00 0.00 N ATOM 799 CA GLY A 53 11.359 8.131 2.840 1.00 0.00 C ATOM 800 C GLY A 53 10.754 7.321 3.986 1.00 0.00 C ATOM 801 O GLY A 53 11.255 6.241 4.291 1.00 0.00 O ATOM 0 H GLY A 53 10.577 9.687 1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.014 7.486 2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.981 8.925 3.254 1.00 0.00 H new ATOM 805 N GLN A 54 9.679 7.831 4.607 1.00 0.00 N ATOM 806 CA GLN A 54 8.928 7.116 5.630 1.00 0.00 C ATOM 807 C GLN A 54 7.995 6.093 4.995 1.00 0.00 C ATOM 808 O GLN A 54 7.995 4.941 5.409 1.00 0.00 O ATOM 809 CB GLN A 54 8.136 8.072 6.523 1.00 0.00 C ATOM 810 CG GLN A 54 9.029 8.622 7.643 1.00 0.00 C ATOM 811 CD GLN A 54 8.289 9.534 8.620 1.00 0.00 C ATOM 812 OE1 GLN A 54 8.731 10.649 8.882 1.00 0.00 O ATOM 813 NE2 GLN A 54 7.183 9.056 9.198 1.00 0.00 N ATOM 0 H GLN A 54 9.310 8.760 4.406 1.00 0.00 H new ATOM 0 HA GLN A 54 9.650 6.594 6.258 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.742 8.895 5.926 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.280 7.552 6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.462 7.787 8.194 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.857 9.174 7.199 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.843 8.125 8.957 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.679 9.622 9.880 1.00 0.00 H new ATOM 822 N VAL A 55 7.187 6.494 4.012 1.00 0.00 N ATOM 823 CA VAL A 55 6.242 5.597 3.357 1.00 0.00 C ATOM 824 C VAL A 55 6.917 4.289 2.904 1.00 0.00 C ATOM 825 O VAL A 55 6.359 3.207 3.076 1.00 0.00 O ATOM 826 CB VAL A 55 5.593 6.329 2.176 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.595 5.404 1.483 1.00 0.00 C ATOM 828 CG2 VAL A 55 4.838 7.594 2.604 1.00 0.00 C ATOM 0 H VAL A 55 7.171 7.448 3.651 1.00 0.00 H new ATOM 0 HA VAL A 55 5.470 5.314 4.073 1.00 0.00 H new ATOM 0 HB VAL A 55 6.404 6.619 1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.136 5.927 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.114 4.518 1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.822 5.106 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.400 8.070 1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.047 7.326 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.530 8.286 3.085 1.00 0.00 H new ATOM 838 N GLU A 56 8.139 4.390 2.369 1.00 0.00 N ATOM 839 CA GLU A 56 8.950 3.281 1.887 1.00 0.00 C ATOM 840 C GLU A 56 9.260 2.268 2.993 1.00 0.00 C ATOM 841 O GLU A 56 9.392 1.076 2.715 1.00 0.00 O ATOM 842 CB GLU A 56 10.240 3.801 1.227 1.00 0.00 C ATOM 843 CG GLU A 56 10.397 3.228 -0.184 1.00 0.00 C ATOM 844 CD GLU A 56 11.685 3.701 -0.856 1.00 0.00 C ATOM 845 OE1 GLU A 56 12.749 3.530 -0.223 1.00 0.00 O ATOM 846 OE2 GLU A 56 11.589 4.194 -2.000 1.00 0.00 O ATOM 0 H GLU A 56 8.605 5.291 2.258 1.00 0.00 H new ATOM 0 HA GLU A 56 8.367 2.752 1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.218 4.890 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.102 3.525 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.393 2.139 -0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.542 3.523 -0.792 1.00 0.00 H new ATOM 853 N LYS A 57 9.359 2.741 4.243 1.00 0.00 N ATOM 854 CA LYS A 57 9.624 1.920 5.416 1.00 0.00 C ATOM 855 C LYS A 57 8.583 0.812 5.549 1.00 0.00 C ATOM 856 O LYS A 57 8.955 -0.309 5.865 1.00 0.00 O ATOM 857 CB LYS A 57 9.659 2.762 6.700 1.00 0.00 C ATOM 858 CG LYS A 57 10.611 3.964 6.625 1.00 0.00 C ATOM 859 CD LYS A 57 12.092 3.614 6.453 1.00 0.00 C ATOM 860 CE LYS A 57 12.641 2.788 7.617 1.00 0.00 C ATOM 861 NZ LYS A 57 12.482 3.491 8.903 1.00 0.00 N ATOM 0 H LYS A 57 9.253 3.731 4.464 1.00 0.00 H new ATOM 0 HA LYS A 57 10.607 1.469 5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.653 3.120 6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.957 2.125 7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.305 4.598 5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.497 4.555 7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.225 3.059 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.670 4.533 6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.124 1.829 7.659 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.696 2.574 7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.011 2.986 9.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.848 4.461 8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.474 3.523 9.159 1.00 0.00 H new ATOM 875 N LEU A 58 7.300 1.101 5.292 1.00 0.00 N ATOM 876 CA LEU A 58 6.267 0.071 5.297 1.00 0.00 C ATOM 877 C LEU A 58 6.215 -0.663 3.956 1.00 0.00 C ATOM 878 O LEU A 58 5.878 -1.846 3.925 1.00 0.00 O ATOM 879 CB LEU A 58 4.907 0.646 5.716 1.00 0.00 C ATOM 880 CG LEU A 58 4.053 1.225 4.577 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.051 0.195 4.035 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.268 2.435 5.068 1.00 0.00 C ATOM 0 H LEU A 58 6.959 2.039 5.079 1.00 0.00 H new ATOM 0 HA LEU A 58 6.529 -0.673 6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.337 -0.140 6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.076 1.430 6.454 1.00 0.00 H new ATOM 0 HG LEU A 58 4.740 1.509 3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.467 0.644 3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.591 -0.671 3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.383 -0.120 4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.668 2.835 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.614 2.136 5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.961 3.201 5.418 1.00 0.00 H new ATOM 894 N MET A 59 6.555 0.021 2.851 1.00 0.00 N ATOM 895 CA MET A 59 6.537 -0.574 1.523 1.00 0.00 C ATOM 896 C MET A 59 7.544 -1.708 1.392 1.00 0.00 C ATOM 897 O MET A 59 7.375 -2.545 0.509 1.00 0.00 O ATOM 898 CB MET A 59 6.738 0.466 0.417 1.00 0.00 C ATOM 899 CG MET A 59 5.689 1.588 0.445 1.00 0.00 C ATOM 900 SD MET A 59 4.443 1.474 -0.867 1.00 0.00 S ATOM 901 CE MET A 59 3.066 2.349 -0.081 1.00 0.00 C ATOM 0 H MET A 59 6.848 0.998 2.863 1.00 0.00 H new ATOM 0 HA MET A 59 5.541 -0.998 1.394 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.732 0.904 0.515 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.703 -0.032 -0.552 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.185 1.575 1.411 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.198 2.548 0.364 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.315 1.629 0.244 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.433 2.904 0.782 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.620 3.041 -0.795 1.00 0.00 H new ATOM 911 N GLN A 60 8.560 -1.765 2.264 1.00 0.00 N ATOM 912 CA GLN A 60 9.502 -2.871 2.300 1.00 0.00 C ATOM 913 C GLN A 60 8.757 -4.212 2.221 1.00 0.00 C ATOM 914 O GLN A 60 9.055 -5.043 1.372 1.00 0.00 O ATOM 915 CB GLN A 60 10.436 -2.742 3.518 1.00 0.00 C ATOM 916 CG GLN A 60 9.821 -3.136 4.872 1.00 0.00 C ATOM 917 CD GLN A 60 10.741 -2.853 6.063 1.00 0.00 C ATOM 918 OE1 GLN A 60 10.287 -2.410 7.114 1.00 0.00 O ATOM 919 NE2 GLN A 60 12.038 -3.135 5.925 1.00 0.00 N ATOM 0 H GLN A 60 8.744 -1.042 2.960 1.00 0.00 H new ATOM 0 HA GLN A 60 10.149 -2.836 1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.316 -3.361 3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.780 -1.710 3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.885 -2.595 5.009 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.576 -4.198 4.856 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.389 -3.502 5.040 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.679 -2.983 6.704 1.00 0.00 H new ATOM 928 N TRP A 61 7.757 -4.397 3.091 1.00 0.00 N ATOM 929 CA TRP A 61 6.966 -5.607 3.165 1.00 0.00 C ATOM 930 C TRP A 61 6.185 -5.869 1.855 1.00 0.00 C ATOM 931 O TRP A 61 6.091 -7.017 1.417 1.00 0.00 O ATOM 932 CB TRP A 61 6.064 -5.517 4.393 1.00 0.00 C ATOM 933 CG TRP A 61 4.798 -6.288 4.298 1.00 0.00 C ATOM 934 CD1 TRP A 61 4.653 -7.631 4.334 1.00 0.00 C ATOM 935 CD2 TRP A 61 3.484 -5.743 4.044 1.00 0.00 C ATOM 936 NE1 TRP A 61 3.331 -7.957 4.105 1.00 0.00 N ATOM 937 CE2 TRP A 61 2.572 -6.821 3.906 1.00 0.00 C ATOM 938 CE3 TRP A 61 2.987 -4.433 3.888 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.221 -6.612 3.619 1.00 0.00 C ATOM 940 CZ3 TRP A 61 1.623 -4.210 3.627 1.00 0.00 C ATOM 941 CH2 TRP A 61 0.743 -5.297 3.480 1.00 0.00 C ATOM 0 H TRP A 61 7.479 -3.690 3.771 1.00 0.00 H new ATOM 0 HA TRP A 61 7.620 -6.472 3.276 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.621 -5.868 5.262 1.00 0.00 H new ATOM 0 HB3 TRP A 61 5.822 -4.469 4.572 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.448 -8.340 4.514 1.00 0.00 H new ATOM 0 HE1 TRP A 61 2.965 -8.909 4.085 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.660 -3.592 3.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.551 -7.451 3.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.250 -3.200 3.539 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -0.300 -5.122 3.260 1.00 0.00 H new ATOM 952 N LEU A 62 5.621 -4.818 1.235 1.00 0.00 N ATOM 953 CA LEU A 62 4.882 -4.912 -0.029 1.00 0.00 C ATOM 954 C LEU A 62 5.789 -5.453 -1.138 1.00 0.00 C ATOM 955 O LEU A 62 5.401 -6.391 -1.834 1.00 0.00 O ATOM 956 CB LEU A 62 4.278 -3.550 -0.438 1.00 0.00 C ATOM 957 CG LEU A 62 2.974 -3.191 0.301 1.00 0.00 C ATOM 958 CD1 LEU A 62 2.818 -1.680 0.505 1.00 0.00 C ATOM 959 CD2 LEU A 62 1.738 -3.624 -0.495 1.00 0.00 C ATOM 0 H LEU A 62 5.668 -3.869 1.605 1.00 0.00 H new ATOM 0 HA LEU A 62 4.055 -5.607 0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.015 -2.768 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.084 -3.558 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 62 3.043 -3.710 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.884 -1.478 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.654 -1.304 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.804 -1.181 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.837 -3.355 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.734 -3.122 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.762 -4.703 -0.646 1.00 0.00 H new ATOM 971 N LYS A 63 6.994 -4.884 -1.292 1.00 0.00 N ATOM 972 CA LYS A 63 7.977 -5.333 -2.277 1.00 0.00 C ATOM 973 C LYS A 63 8.348 -6.809 -2.105 1.00 0.00 C ATOM 974 O LYS A 63 8.694 -7.460 -3.090 1.00 0.00 O ATOM 975 CB LYS A 63 9.251 -4.471 -2.216 1.00 0.00 C ATOM 976 CG LYS A 63 9.211 -3.254 -3.157 1.00 0.00 C ATOM 977 CD LYS A 63 9.076 -1.916 -2.427 1.00 0.00 C ATOM 978 CE LYS A 63 10.385 -1.522 -1.731 1.00 0.00 C ATOM 979 NZ LYS A 63 10.304 -0.164 -1.169 1.00 0.00 N ATOM 0 H LYS A 63 7.311 -4.094 -0.730 1.00 0.00 H new ATOM 0 HA LYS A 63 7.507 -5.219 -3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.398 -4.125 -1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.112 -5.089 -2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.121 -3.240 -3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.375 -3.367 -3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.792 -1.140 -3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.276 -1.981 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.605 -2.234 -0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.208 -1.575 -2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.204 0.074 -0.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.117 0.517 -1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.533 -0.122 -0.472 1.00 0.00 H new ATOM 993 N SER A 64 8.272 -7.341 -0.877 1.00 0.00 N ATOM 994 CA SER A 64 8.553 -8.743 -0.594 1.00 0.00 C ATOM 995 C SER A 64 7.620 -9.661 -1.390 1.00 0.00 C ATOM 996 O SER A 64 7.978 -10.797 -1.696 1.00 0.00 O ATOM 997 CB SER A 64 8.414 -9.001 0.911 1.00 0.00 C ATOM 998 OG SER A 64 9.335 -9.988 1.326 1.00 0.00 O ATOM 0 H SER A 64 8.012 -6.802 -0.051 1.00 0.00 H new ATOM 0 HA SER A 64 9.575 -8.966 -0.901 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.587 -8.077 1.463 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.398 -9.323 1.139 1.00 0.00 H new ATOM 0 HG SER A 64 9.237 -10.142 2.289 1.00 0.00 H new ATOM 1004 N GLY A 65 6.425 -9.159 -1.721 1.00 0.00 N ATOM 1005 CA GLY A 65 5.472 -9.840 -2.568 1.00 0.00 C ATOM 1006 C GLY A 65 4.815 -11.021 -1.860 1.00 0.00 C ATOM 1007 O GLY A 65 4.457 -12.002 -2.508 1.00 0.00 O ATOM 0 H GLY A 65 6.098 -8.249 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.703 -9.136 -2.887 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.975 -10.192 -3.469 1.00 0.00 H new ATOM 1011 N GLY A 66 4.661 -10.931 -0.532 1.00 0.00 N ATOM 1012 CA GLY A 66 4.103 -12.007 0.271 1.00 0.00 C ATOM 1013 C GLY A 66 4.881 -13.306 0.063 1.00 0.00 C ATOM 1014 O GLY A 66 4.405 -14.199 -0.635 1.00 0.00 O ATOM 0 H GLY A 66 4.923 -10.106 0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.127 -11.729 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.057 -12.159 0.005 1.00 0.00 H new ATOM 1018 N PRO A 67 6.075 -13.444 0.653 1.00 0.00 N ATOM 1019 CA PRO A 67 6.880 -14.646 0.511 1.00 0.00 C ATOM 1020 C PRO A 67 6.260 -15.848 1.243 1.00 0.00 C ATOM 1021 O PRO A 67 6.718 -16.971 1.042 1.00 0.00 O ATOM 1022 CB PRO A 67 8.255 -14.265 1.068 1.00 0.00 C ATOM 1023 CG PRO A 67 7.921 -13.211 2.122 1.00 0.00 C ATOM 1024 CD PRO A 67 6.746 -12.465 1.490 1.00 0.00 C ATOM 0 HA PRO A 67 6.946 -14.972 -0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 67 8.765 -15.124 1.504 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.908 -13.866 0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.648 -13.664 3.075 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.765 -12.549 2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 67 6.073 -12.073 2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 67 7.091 -11.615 0.901 1.00 0.00 H new ATOM 1032 N ARG A 68 5.233 -15.625 2.080 1.00 0.00 N ATOM 1033 CA ARG A 68 4.575 -16.654 2.877 1.00 0.00 C ATOM 1034 C ARG A 68 3.246 -17.076 2.241 1.00 0.00 C ATOM 1035 O ARG A 68 2.990 -18.266 2.073 1.00 0.00 O ATOM 1036 CB ARG A 68 4.359 -16.152 4.313 1.00 0.00 C ATOM 1037 CG ARG A 68 5.598 -15.423 4.851 1.00 0.00 C ATOM 1038 CD ARG A 68 5.591 -15.340 6.380 1.00 0.00 C ATOM 1039 NE ARG A 68 6.614 -14.391 6.841 1.00 0.00 N ATOM 1040 CZ ARG A 68 7.022 -14.229 8.110 1.00 0.00 C ATOM 1041 NH1 ARG A 68 6.524 -14.985 9.099 1.00 0.00 N ATOM 1042 NH2 ARG A 68 7.940 -13.294 8.386 1.00 0.00 N ATOM 0 H ARG A 68 4.833 -14.697 2.219 1.00 0.00 H new ATOM 0 HA ARG A 68 5.220 -17.532 2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.501 -15.480 4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.122 -16.995 4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.497 -15.942 4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.638 -14.417 4.433 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.608 -15.025 6.730 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.780 -16.325 6.806 1.00 0.00 H new ATOM 0 HE ARG A 68 7.054 -13.802 6.133 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.823 -15.697 8.893 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.846 -14.848 10.057 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.320 -12.716 7.637 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.259 -13.160 9.346 1.00 0.00 H new ATOM 1056 N SER A 69 2.399 -16.093 1.911 1.00 0.00 N ATOM 1057 CA SER A 69 1.077 -16.264 1.318 1.00 0.00 C ATOM 1058 C SER A 69 0.936 -15.286 0.157 1.00 0.00 C ATOM 1059 O SER A 69 1.741 -14.368 0.043 1.00 0.00 O ATOM 1060 CB SER A 69 -0.008 -16.004 2.372 1.00 0.00 C ATOM 1061 OG SER A 69 0.296 -14.856 3.140 1.00 0.00 O ATOM 0 H SER A 69 2.633 -15.111 2.060 1.00 0.00 H new ATOM 0 HA SER A 69 0.960 -17.284 0.953 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.972 -15.873 1.881 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.099 -16.871 3.027 1.00 0.00 H new ATOM 0 HG SER A 69 -0.410 -14.710 3.803 1.00 0.00 H new ATOM 1067 N ALA A 70 -0.082 -15.487 -0.693 1.00 0.00 N ATOM 1068 CA ALA A 70 -0.329 -14.690 -1.894 1.00 0.00 C ATOM 1069 C ALA A 70 0.739 -14.962 -2.965 1.00 0.00 C ATOM 1070 O ALA A 70 1.819 -15.467 -2.660 1.00 0.00 O ATOM 1071 CB ALA A 70 -0.473 -13.199 -1.538 1.00 0.00 C ATOM 0 H ALA A 70 -0.770 -16.227 -0.557 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.279 -14.994 -2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.656 -12.624 -2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.309 -13.068 -0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.444 -12.848 -1.065 1.00 0.00 H new ATOM 1077 N ARG A 71 0.422 -14.666 -4.233 1.00 0.00 N ATOM 1078 CA ARG A 71 1.311 -14.893 -5.365 1.00 0.00 C ATOM 1079 C ARG A 71 1.504 -13.579 -6.117 1.00 0.00 C ATOM 1080 O ARG A 71 0.950 -13.395 -7.197 1.00 0.00 O ATOM 1081 CB ARG A 71 0.734 -16.006 -6.258 1.00 0.00 C ATOM 1082 CG ARG A 71 1.803 -16.597 -7.187 1.00 0.00 C ATOM 1083 CD ARG A 71 2.636 -17.664 -6.466 1.00 0.00 C ATOM 1084 NE ARG A 71 3.909 -17.889 -7.159 1.00 0.00 N ATOM 1085 CZ ARG A 71 4.977 -18.517 -6.638 1.00 0.00 C ATOM 1086 NH1 ARG A 71 4.918 -19.089 -5.427 1.00 0.00 N ATOM 1087 NH2 ARG A 71 6.116 -18.566 -7.341 1.00 0.00 N ATOM 0 H ARG A 71 -0.474 -14.256 -4.498 1.00 0.00 H new ATOM 0 HA ARG A 71 2.291 -15.228 -5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.318 -16.796 -5.633 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.086 -15.606 -6.854 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.325 -17.036 -8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.457 -15.802 -7.545 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.826 -17.351 -5.440 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.075 -18.597 -6.416 1.00 0.00 H new ATOM 0 HE ARG A 71 3.990 -17.540 -8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.054 -19.051 -4.887 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.737 -19.562 -5.046 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.166 -18.129 -8.261 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.933 -19.040 -6.956 1.00 0.00 H new ATOM 1101 N VAL A 72 2.297 -12.668 -5.543 1.00 0.00 N ATOM 1102 CA VAL A 72 2.585 -11.367 -6.130 1.00 0.00 C ATOM 1103 C VAL A 72 3.503 -11.559 -7.340 1.00 0.00 C ATOM 1104 O VAL A 72 4.691 -11.835 -7.181 1.00 0.00 O ATOM 1105 CB VAL A 72 3.215 -10.440 -5.075 1.00 0.00 C ATOM 1106 CG1 VAL A 72 3.590 -9.076 -5.671 1.00 0.00 C ATOM 1107 CG2 VAL A 72 2.238 -10.209 -3.913 1.00 0.00 C ATOM 0 H VAL A 72 2.760 -12.821 -4.647 1.00 0.00 H new ATOM 0 HA VAL A 72 1.663 -10.894 -6.469 1.00 0.00 H new ATOM 0 HB VAL A 72 4.119 -10.933 -4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.032 -8.449 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.309 -9.217 -6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.696 -8.592 -6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.699 -9.552 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.326 -9.748 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.995 -11.164 -3.446 1.00 0.00 H new ATOM 1117 N GLU A 73 2.946 -11.413 -8.547 1.00 0.00 N ATOM 1118 CA GLU A 73 3.679 -11.525 -9.799 1.00 0.00 C ATOM 1119 C GLU A 73 4.630 -10.336 -9.963 1.00 0.00 C ATOM 1120 O GLU A 73 5.824 -10.536 -10.177 1.00 0.00 O ATOM 1121 CB GLU A 73 2.691 -11.604 -10.972 1.00 0.00 C ATOM 1122 CG GLU A 73 2.020 -12.985 -11.089 1.00 0.00 C ATOM 1123 CD GLU A 73 2.615 -13.857 -12.198 1.00 0.00 C ATOM 1124 OE1 GLU A 73 2.809 -13.323 -13.312 1.00 0.00 O ATOM 1125 OE2 GLU A 73 2.840 -15.055 -11.920 1.00 0.00 O ATOM 0 H GLU A 73 1.955 -11.210 -8.676 1.00 0.00 H new ATOM 0 HA GLU A 73 4.277 -12.436 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.923 -10.840 -10.848 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.216 -11.380 -11.900 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.112 -13.508 -10.137 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.955 -12.849 -11.276 1.00 0.00 H new ATOM 1132 N ARG A 74 4.100 -9.106 -9.877 1.00 0.00 N ATOM 1133 CA ARG A 74 4.870 -7.880 -10.054 1.00 0.00 C ATOM 1134 C ARG A 74 4.171 -6.709 -9.355 1.00 0.00 C ATOM 1135 O ARG A 74 3.003 -6.821 -8.990 1.00 0.00 O ATOM 1136 CB ARG A 74 5.055 -7.596 -11.558 1.00 0.00 C ATOM 1137 CG ARG A 74 6.464 -7.081 -11.889 1.00 0.00 C ATOM 1138 CD ARG A 74 7.511 -8.204 -11.875 1.00 0.00 C ATOM 1139 NE ARG A 74 7.295 -9.141 -12.987 1.00 0.00 N ATOM 1140 CZ ARG A 74 7.836 -10.365 -13.107 1.00 0.00 C ATOM 1141 NH1 ARG A 74 8.629 -10.872 -12.151 1.00 0.00 N ATOM 1142 NH2 ARG A 74 7.581 -11.088 -14.206 1.00 0.00 N ATOM 0 H ARG A 74 3.113 -8.940 -9.680 1.00 0.00 H new ATOM 0 HA ARG A 74 5.854 -8.003 -9.601 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.863 -8.508 -12.123 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.318 -6.860 -11.879 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.455 -6.608 -12.871 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.747 -6.314 -11.168 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.510 -7.775 -11.946 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.461 -8.741 -10.928 1.00 0.00 H new ATOM 0 HE ARG A 74 6.677 -8.833 -13.738 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.831 -10.326 -11.313 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.030 -11.803 -12.262 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.982 -10.708 -14.939 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.986 -12.019 -14.309 1.00 0.00 H new ATOM 1156 N VAL A 75 4.895 -5.602 -9.133 1.00 0.00 N ATOM 1157 CA VAL A 75 4.384 -4.418 -8.442 1.00 0.00 C ATOM 1158 C VAL A 75 4.945 -3.151 -9.097 1.00 0.00 C ATOM 1159 O VAL A 75 6.130 -3.121 -9.427 1.00 0.00 O ATOM 1160 CB VAL A 75 4.777 -4.469 -6.951 1.00 0.00 C ATOM 1161 CG1 VAL A 75 4.090 -3.342 -6.165 1.00 0.00 C ATOM 1162 CG2 VAL A 75 4.383 -5.803 -6.304 1.00 0.00 C ATOM 0 H VAL A 75 5.865 -5.507 -9.434 1.00 0.00 H new ATOM 0 HA VAL A 75 3.297 -4.400 -8.517 1.00 0.00 H new ATOM 0 HB VAL A 75 5.860 -4.353 -6.914 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.383 -3.399 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.391 -2.377 -6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.008 -3.449 -6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.677 -5.799 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.304 -5.939 -6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.888 -6.620 -6.819 1.00 0.00 H new ATOM 1172 N LEU A 76 4.114 -2.111 -9.269 1.00 0.00 N ATOM 1173 CA LEU A 76 4.501 -0.826 -9.857 1.00 0.00 C ATOM 1174 C LEU A 76 4.207 0.327 -8.896 1.00 0.00 C ATOM 1175 O LEU A 76 3.343 0.175 -8.040 1.00 0.00 O ATOM 1176 CB LEU A 76 3.705 -0.607 -11.154 1.00 0.00 C ATOM 1177 CG LEU A 76 4.621 -0.275 -12.339 1.00 0.00 C ATOM 1178 CD1 LEU A 76 5.405 -1.514 -12.794 1.00 0.00 C ATOM 1179 CD2 LEU A 76 3.769 0.236 -13.505 1.00 0.00 C ATOM 0 H LEU A 76 3.132 -2.145 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 76 5.571 -0.847 -10.061 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.128 -1.503 -11.381 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.991 0.204 -11.009 1.00 0.00 H new ATOM 0 HG LEU A 76 5.332 0.488 -12.023 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.046 -1.250 -13.635 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.019 -1.879 -11.970 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.708 -2.294 -13.100 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.415 0.474 -14.350 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.055 -0.534 -13.799 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.230 1.132 -13.197 1.00 0.00 H new ATOM 1191 N SER A 77 4.909 1.464 -9.051 1.00 0.00 N ATOM 1192 CA SER A 77 4.747 2.650 -8.205 1.00 0.00 C ATOM 1193 C SER A 77 4.776 3.939 -9.042 1.00 0.00 C ATOM 1194 O SER A 77 5.725 4.132 -9.799 1.00 0.00 O ATOM 1195 CB SER A 77 5.865 2.702 -7.149 1.00 0.00 C ATOM 1196 OG SER A 77 6.686 1.549 -7.164 1.00 0.00 O ATOM 0 H SER A 77 5.614 1.582 -9.779 1.00 0.00 H new ATOM 0 HA SER A 77 3.778 2.578 -7.712 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.482 3.584 -7.322 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.420 2.813 -6.160 1.00 0.00 H new ATOM 0 HG SER A 77 7.380 1.633 -6.477 1.00 0.00 H new ATOM 1202 N GLU A 78 3.786 4.826 -8.874 1.00 0.00 N ATOM 1203 CA GLU A 78 3.635 6.074 -9.637 1.00 0.00 C ATOM 1204 C GLU A 78 3.370 7.256 -8.689 1.00 0.00 C ATOM 1205 O GLU A 78 2.893 7.041 -7.577 1.00 0.00 O ATOM 1206 CB GLU A 78 2.482 5.914 -10.648 1.00 0.00 C ATOM 1207 CG GLU A 78 2.924 5.725 -12.109 1.00 0.00 C ATOM 1208 CD GLU A 78 3.957 4.620 -12.289 1.00 0.00 C ATOM 1209 OE1 GLU A 78 3.594 3.454 -12.025 1.00 0.00 O ATOM 1210 OE2 GLU A 78 5.090 4.964 -12.691 1.00 0.00 O ATOM 0 H GLU A 78 3.047 4.692 -8.184 1.00 0.00 H new ATOM 0 HA GLU A 78 4.558 6.282 -10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.876 5.057 -10.353 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.841 6.794 -10.588 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.050 5.498 -12.719 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.337 6.663 -12.480 1.00 0.00 H new ATOM 1217 N PRO A 79 3.649 8.502 -9.116 1.00 0.00 N ATOM 1218 CA PRO A 79 3.454 9.715 -8.329 1.00 0.00 C ATOM 1219 C PRO A 79 1.963 10.027 -8.161 1.00 0.00 C ATOM 1220 O PRO A 79 1.240 10.110 -9.153 1.00 0.00 O ATOM 1221 CB PRO A 79 4.180 10.819 -9.108 1.00 0.00 C ATOM 1222 CG PRO A 79 4.073 10.352 -10.557 1.00 0.00 C ATOM 1223 CD PRO A 79 4.186 8.836 -10.425 1.00 0.00 C ATOM 0 HA PRO A 79 3.849 9.616 -7.318 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.709 11.791 -8.962 1.00 0.00 H new ATOM 0 HB3 PRO A 79 5.219 10.918 -8.793 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.128 10.650 -11.011 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.869 10.766 -11.176 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.627 8.334 -11.215 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.223 8.514 -10.514 1.00 0.00 H new ATOM 1231 N HIS A 80 1.507 10.199 -6.913 1.00 0.00 N ATOM 1232 CA HIS A 80 0.114 10.490 -6.585 1.00 0.00 C ATOM 1233 C HIS A 80 0.009 11.845 -5.880 1.00 0.00 C ATOM 1234 O HIS A 80 0.819 12.149 -5.011 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.418 9.361 -5.692 1.00 0.00 C ATOM 1236 CG HIS A 80 -1.908 9.176 -5.726 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.572 8.752 -6.863 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -2.824 9.275 -4.711 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -3.862 8.615 -6.514 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -4.058 8.926 -5.223 1.00 0.00 N ATOM 0 H HIS A 80 2.110 10.138 -6.093 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.485 10.545 -7.494 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.056 8.426 -5.992 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.114 9.557 -4.664 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.618 9.573 -3.694 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.643 8.295 -7.188 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.945 8.908 -4.719 1.00 0.00 H new ATOM 1249 N HIS A 81 -0.961 12.683 -6.261 1.00 0.00 N ATOM 1250 CA HIS A 81 -1.132 13.977 -5.605 1.00 0.00 C ATOM 1251 C HIS A 81 -2.618 14.282 -5.376 1.00 0.00 C ATOM 1252 O HIS A 81 -3.193 15.091 -6.102 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.426 15.056 -6.440 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.144 16.330 -5.682 1.00 0.00 C ATOM 1255 ND1 HIS A 81 0.544 17.393 -6.245 1.00 0.00 N ATOM 1256 CD2 HIS A 81 -0.421 16.659 -4.377 1.00 0.00 C ATOM 1257 CE1 HIS A 81 0.665 18.319 -5.281 1.00 0.00 C ATOM 1258 NE2 HIS A 81 0.100 17.913 -4.133 1.00 0.00 N ATOM 0 H HIS A 81 -1.628 12.490 -7.008 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.673 13.959 -4.617 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.514 14.653 -6.816 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.042 15.290 -7.308 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.953 16.044 -3.667 1.00 0.00 H new ATOM 0 HE1 HIS A 81 1.156 19.272 -5.413 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.063 18.429 -3.254 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.259 13.640 -4.388 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.681 13.785 -4.123 1.00 0.00 C ATOM 1269 C PRO A 82 -4.985 15.171 -3.546 1.00 0.00 C ATOM 1270 O PRO A 82 -4.145 15.765 -2.868 1.00 0.00 O ATOM 1271 CB PRO A 82 -5.024 12.666 -3.136 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.714 12.458 -2.377 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.658 12.709 -3.454 1.00 0.00 C ATOM 0 HA PRO A 82 -5.281 13.705 -5.029 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.836 12.953 -2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.340 11.758 -3.650 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.615 13.153 -1.543 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.640 11.452 -1.964 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.748 13.123 -3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.379 11.780 -3.952 1.00 0.00 H new ATOM 1281 N SER A 83 -6.187 15.684 -3.833 1.00 0.00 N ATOM 1282 CA SER A 83 -6.646 16.980 -3.356 1.00 0.00 C ATOM 1283 C SER A 83 -7.050 16.899 -1.881 1.00 0.00 C ATOM 1284 O SER A 83 -7.582 15.884 -1.433 1.00 0.00 O ATOM 1285 CB SER A 83 -7.807 17.482 -4.222 1.00 0.00 C ATOM 1286 OG SER A 83 -8.868 16.550 -4.249 1.00 0.00 O ATOM 0 H SER A 83 -6.873 15.199 -4.412 1.00 0.00 H new ATOM 0 HA SER A 83 -5.827 17.695 -3.438 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.167 18.435 -3.834 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.454 17.664 -5.237 1.00 0.00 H new ATOM 0 HG SER A 83 -9.595 16.898 -4.807 1.00 0.00 H new ATOM 1292 N GLY A 84 -6.783 17.978 -1.136 1.00 0.00 N ATOM 1293 CA GLY A 84 -7.031 18.071 0.296 1.00 0.00 C ATOM 1294 C GLY A 84 -6.127 17.138 1.098 1.00 0.00 C ATOM 1295 O GLY A 84 -5.438 16.281 0.544 1.00 0.00 O ATOM 0 H GLY A 84 -6.379 18.828 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.874 19.098 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.074 17.828 0.499 1.00 0.00 H new ATOM 1299 N GLU A 85 -6.145 17.313 2.422 1.00 0.00 N ATOM 1300 CA GLU A 85 -5.420 16.449 3.339 1.00 0.00 C ATOM 1301 C GLU A 85 -6.315 15.271 3.725 1.00 0.00 C ATOM 1302 O GLU A 85 -7.508 15.443 3.974 1.00 0.00 O ATOM 1303 CB GLU A 85 -4.897 17.238 4.550 1.00 0.00 C ATOM 1304 CG GLU A 85 -5.969 17.596 5.587 1.00 0.00 C ATOM 1305 CD GLU A 85 -5.367 18.388 6.746 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -4.934 19.532 6.487 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -5.342 17.833 7.865 1.00 0.00 O ATOM 0 H GLU A 85 -6.665 18.060 2.882 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.533 16.047 2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.117 16.654 5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.431 18.157 4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.757 18.181 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.432 16.685 5.966 1.00 0.00 H new ATOM 1314 N LEU A 86 -5.736 14.070 3.751 1.00 0.00 N ATOM 1315 CA LEU A 86 -6.425 12.855 4.154 1.00 0.00 C ATOM 1316 C LEU A 86 -6.500 12.793 5.683 1.00 0.00 C ATOM 1317 O LEU A 86 -5.624 13.317 6.371 1.00 0.00 O ATOM 1318 CB LEU A 86 -5.675 11.649 3.569 1.00 0.00 C ATOM 1319 CG LEU A 86 -6.464 10.812 2.551 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -6.960 11.626 1.351 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -5.553 9.706 2.021 1.00 0.00 C ATOM 0 H LEU A 86 -4.762 13.917 3.488 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.446 12.844 3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.763 12.007 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.370 10.999 4.390 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.339 10.420 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.509 10.974 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.617 12.424 1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.108 12.060 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.098 9.102 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.682 10.151 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.228 9.075 2.848 1.00 0.00 H new ATOM 1333 N THR A 87 -7.548 12.147 6.210 1.00 0.00 N ATOM 1334 CA THR A 87 -7.782 11.990 7.637 1.00 0.00 C ATOM 1335 C THR A 87 -6.886 10.865 8.153 1.00 0.00 C ATOM 1336 O THR A 87 -5.868 11.138 8.787 1.00 0.00 O ATOM 1337 CB THR A 87 -9.283 11.734 7.910 1.00 0.00 C ATOM 1338 OG1 THR A 87 -9.962 11.375 6.720 1.00 0.00 O ATOM 1339 CG2 THR A 87 -9.950 12.973 8.517 1.00 0.00 C ATOM 0 H THR A 87 -8.270 11.711 5.636 1.00 0.00 H new ATOM 0 HA THR A 87 -7.525 12.903 8.174 1.00 0.00 H new ATOM 0 HB THR A 87 -9.347 10.910 8.620 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.909 11.217 6.919 1.00 0.00 H new ATOM 0 HG21 THR A 87 -11.005 12.766 8.699 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.462 13.225 9.458 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.859 13.811 7.826 1.00 0.00 H new ATOM 1347 N ASP A 88 -7.269 9.612 7.882 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.581 8.430 8.390 1.00 0.00 C ATOM 1349 C ASP A 88 -6.570 7.317 7.341 1.00 0.00 C ATOM 1350 O ASP A 88 -7.345 7.349 6.384 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.220 7.980 9.715 1.00 0.00 C ATOM 1352 CG ASP A 88 -8.490 7.153 9.532 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -9.468 7.717 8.995 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -8.460 5.974 9.944 1.00 0.00 O ATOM 0 H ASP A 88 -8.075 9.393 7.297 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.540 8.679 8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.493 7.395 10.279 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.453 8.861 10.314 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.681 6.334 7.522 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.588 5.175 6.646 1.00 0.00 C ATOM 1361 C PHE A 89 -6.733 4.200 6.927 1.00 0.00 C ATOM 1362 O PHE A 89 -7.144 4.042 8.074 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.218 4.506 6.797 1.00 0.00 C ATOM 1364 CG PHE A 89 -4.070 3.185 6.065 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -4.465 1.994 6.699 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -3.593 3.145 4.740 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -4.432 0.782 5.994 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -3.517 1.919 4.054 1.00 0.00 C ATOM 1369 CZ PHE A 89 -3.960 0.741 4.675 1.00 0.00 C ATOM 0 H PHE A 89 -5.005 6.326 8.286 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.684 5.501 5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.452 5.193 6.436 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.025 4.341 7.857 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.793 2.012 7.728 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.285 4.057 4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.772 -0.125 6.471 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.118 1.884 3.051 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.937 -0.195 4.137 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.225 3.527 5.879 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.305 2.551 5.978 1.00 0.00 C ATOM 1381 C ARG A 90 -8.076 1.418 4.978 1.00 0.00 C ATOM 1382 O ARG A 90 -7.505 1.639 3.916 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.667 3.245 5.790 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.786 4.029 4.473 1.00 0.00 C ATOM 1385 CD ARG A 90 -11.082 4.847 4.428 1.00 0.00 C ATOM 1386 NE ARG A 90 -11.117 5.696 3.227 1.00 0.00 N ATOM 1387 CZ ARG A 90 -11.846 6.815 3.069 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -12.687 7.240 4.024 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -11.729 7.516 1.934 1.00 0.00 N ATOM 0 H ARG A 90 -6.876 3.650 4.929 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.312 2.105 6.973 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.456 2.494 5.827 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.836 3.926 6.624 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.929 4.694 4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.761 3.337 3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.942 4.177 4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.158 5.467 5.321 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.534 5.409 2.441 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.783 6.711 4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.230 8.092 3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.093 7.199 1.202 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.276 8.367 1.801 1.00 0.00 H new ATOM 1403 N ILE A 91 -8.507 0.195 5.310 1.00 0.00 N ATOM 1404 CA ILE A 91 -8.398 -0.946 4.403 1.00 0.00 C ATOM 1405 C ILE A 91 -9.361 -0.792 3.213 1.00 0.00 C ATOM 1406 O ILE A 91 -10.026 0.234 3.070 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.578 -2.284 5.157 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -10.029 -2.702 5.459 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -7.751 -2.340 6.447 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -10.882 -1.645 6.167 1.00 0.00 C ATOM 0 H ILE A 91 -8.937 -0.027 6.208 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.390 -0.965 3.990 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.203 -3.013 4.438 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.515 -2.968 4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.010 -3.601 6.075 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.911 -3.299 6.940 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.694 -2.228 6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.060 -1.534 7.112 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.885 -2.038 6.333 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.428 -1.393 7.125 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.941 -0.750 5.547 1.00 0.00 H new ATOM 1422 N ARG A 92 -9.437 -1.824 2.365 1.00 0.00 N ATOM 1423 CA ARG A 92 -10.385 -1.920 1.258 1.00 0.00 C ATOM 1424 C ARG A 92 -11.846 -1.743 1.693 1.00 0.00 C ATOM 1425 O ARG A 92 -12.670 -1.505 0.784 1.00 0.00 O ATOM 1426 CB ARG A 92 -10.230 -3.272 0.545 1.00 0.00 C ATOM 1427 CG ARG A 92 -10.274 -4.459 1.510 1.00 0.00 C ATOM 1428 CD ARG A 92 -10.431 -5.756 0.717 1.00 0.00 C ATOM 1429 NE ARG A 92 -11.844 -6.136 0.625 1.00 0.00 N ATOM 1430 CZ ARG A 92 -12.306 -7.350 0.287 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -11.475 -8.318 -0.129 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -13.620 -7.593 0.376 1.00 0.00 N ATOM 1433 OXT ARG A 92 -12.131 -1.884 2.903 1.00 0.00 O ATOM 0 H ARG A 92 -8.823 -2.635 2.435 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.148 -1.100 0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.023 -3.381 -0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.285 -3.285 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.361 -4.492 2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.104 -4.344 2.207 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.017 -5.630 -0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.865 -6.554 1.198 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.535 -5.416 0.836 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.473 -8.138 -0.193 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.845 -9.234 -0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.253 -6.861 0.697 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.987 -8.510 0.123 1.00 0.00 H new TER 1447 ARG A 92