USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1018 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 ASN : amide:sc= -0.22 K(o=-0.15,f=-1.8) USER MOD Set 1.2: B 74 LYS NZ :NH3+ -118:sc= 0.0692 (180deg=-0.165) USER MOD Set 1.3: B 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 74 LYS NZ :NH3+ -110:sc= 0.0321 (180deg=-0.188) USER MOD Set 2.2: A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: B 96 ASN : amide:sc= -0.134 K(o=-0.1,f=-2) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -46:sc= 1.26 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc=0.000698 USER MOD Single : A 67 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -0.125 (180deg=-0.348) USER MOD Single : A 83 LYS NZ :NH3+ 132:sc= -0.0257 (180deg=-0.311) USER MOD Single : A 85 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.122) USER MOD Single : A 86 LYS NZ :NH3+ 134:sc= -0.12 (180deg=-0.669) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 57 THR OG1 : rot -41:sc= 1.2 USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 67 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 LYS NZ :NH3+ -168:sc= -0.114 (180deg=-0.357) USER MOD Single : B 83 LYS NZ :NH3+ 136:sc= -0.0255 (180deg=-0.308) USER MOD Single : B 85 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.109) USER MOD Single : B 86 LYS NZ :NH3+ 134:sc= -0.112 (180deg=-0.671) USER MOD Single : B 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 42 -7.388 9.304 -8.082 1.00 0.00 N ATOM 101 CA GLY A 42 -8.763 9.238 -7.631 1.00 0.00 C ATOM 102 C GLY A 42 -9.455 7.923 -7.967 1.00 0.00 C ATOM 103 O GLY A 42 -10.201 7.411 -7.136 1.00 0.00 O ATOM 0 HA2 GLY A 42 -8.790 9.387 -6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.323 10.058 -8.080 1.00 0.00 H new ATOM 107 N PRO A 43 -9.279 7.371 -9.193 1.00 0.00 N ATOM 108 CA PRO A 43 -9.808 6.042 -9.552 1.00 0.00 C ATOM 109 C PRO A 43 -9.499 4.971 -8.502 1.00 0.00 C ATOM 110 O PRO A 43 -8.550 5.094 -7.724 1.00 0.00 O ATOM 111 CB PRO A 43 -9.084 5.731 -10.859 1.00 0.00 C ATOM 112 CG PRO A 43 -8.866 7.061 -11.483 1.00 0.00 C ATOM 113 CD PRO A 43 -8.611 8.011 -10.347 1.00 0.00 C ATOM 0 HA PRO A 43 -10.895 6.044 -9.628 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.140 5.217 -10.678 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.682 5.084 -11.501 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.020 7.037 -12.169 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.737 7.369 -12.062 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.544 8.143 -10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.025 8.999 -10.551 1.00 0.00 H new ATOM 121 N ILE A 44 -10.317 3.912 -8.511 1.00 0.00 N ATOM 122 CA ILE A 44 -10.349 2.912 -7.437 1.00 0.00 C ATOM 123 C ILE A 44 -8.980 2.300 -7.148 1.00 0.00 C ATOM 124 O ILE A 44 -8.712 1.896 -6.018 1.00 0.00 O ATOM 125 CB ILE A 44 -11.350 1.775 -7.737 1.00 0.00 C ATOM 126 CG1 ILE A 44 -10.932 0.993 -8.984 1.00 0.00 C ATOM 127 CG2 ILE A 44 -12.752 2.344 -7.909 1.00 0.00 C ATOM 128 CD1 ILE A 44 -11.709 -0.289 -9.182 1.00 0.00 C ATOM 0 H ILE A 44 -10.977 3.724 -9.265 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.673 3.459 -6.552 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.351 1.086 -6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.063 1.627 -9.861 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.870 0.758 -8.916 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -13.450 1.534 -8.120 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -13.053 2.853 -6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -12.758 3.053 -8.737 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.360 -0.791 -10.084 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.558 -0.942 -8.322 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.770 -0.060 -9.282 1.00 0.00 H new ATOM 140 N ARG A 45 -8.127 2.230 -8.165 1.00 0.00 N ATOM 141 CA ARG A 45 -6.763 1.739 -7.992 1.00 0.00 C ATOM 142 C ARG A 45 -6.020 2.602 -6.981 1.00 0.00 C ATOM 143 O ARG A 45 -5.403 2.100 -6.035 1.00 0.00 O ATOM 144 CB ARG A 45 -6.023 1.756 -9.330 1.00 0.00 C ATOM 145 CG ARG A 45 -6.555 0.748 -10.334 1.00 0.00 C ATOM 146 CD ARG A 45 -6.001 0.999 -11.728 1.00 0.00 C ATOM 147 NE ARG A 45 -4.538 1.010 -11.760 1.00 0.00 N ATOM 148 CZ ARG A 45 -3.819 1.024 -12.883 1.00 0.00 C ATOM 149 NH1 ARG A 45 -4.420 1.021 -14.064 1.00 0.00 N ATOM 150 NH2 ARG A 45 -2.496 1.044 -12.821 1.00 0.00 N ATOM 0 H ARG A 45 -8.356 2.507 -9.119 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.805 0.714 -7.623 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.091 2.755 -9.760 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.966 1.557 -9.153 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.291 -0.260 -10.013 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.643 0.799 -10.360 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.369 0.229 -12.405 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.376 1.954 -12.097 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.039 1.007 -10.871 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.438 1.008 -14.118 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.864 1.032 -14.919 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.028 1.049 -11.915 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.945 1.055 -13.680 1.00 0.00 H new ATOM 164 N MET A 46 -6.112 3.908 -7.174 1.00 0.00 N ATOM 165 CA MET A 46 -5.460 4.856 -6.295 1.00 0.00 C ATOM 166 C MET A 46 -6.135 4.869 -4.937 1.00 0.00 C ATOM 167 O MET A 46 -5.484 5.089 -3.932 1.00 0.00 O ATOM 168 CB MET A 46 -5.461 6.266 -6.898 1.00 0.00 C ATOM 169 CG MET A 46 -4.654 6.374 -8.181 1.00 0.00 C ATOM 170 SD MET A 46 -5.483 5.629 -9.597 1.00 0.00 S ATOM 171 CE MET A 46 -4.219 5.833 -10.846 1.00 0.00 C ATOM 0 H MET A 46 -6.636 4.334 -7.938 1.00 0.00 H new ATOM 0 HA MET A 46 -4.424 4.540 -6.174 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.489 6.567 -7.098 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.060 6.967 -6.165 1.00 0.00 H new ATOM 0 HG2 MET A 46 -4.458 7.425 -8.393 1.00 0.00 H new ATOM 0 HG3 MET A 46 -3.687 5.892 -8.038 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.572 5.422 -11.792 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.999 6.893 -10.971 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.315 5.308 -10.538 1.00 0.00 H new ATOM 181 N VAL A 47 -7.435 4.610 -4.911 1.00 0.00 N ATOM 182 CA VAL A 47 -8.185 4.596 -3.659 1.00 0.00 C ATOM 183 C VAL A 47 -7.615 3.555 -2.699 1.00 0.00 C ATOM 184 O VAL A 47 -7.397 3.839 -1.522 1.00 0.00 O ATOM 185 CB VAL A 47 -9.681 4.314 -3.899 1.00 0.00 C ATOM 186 CG1 VAL A 47 -10.452 4.302 -2.586 1.00 0.00 C ATOM 187 CG2 VAL A 47 -10.261 5.349 -4.847 1.00 0.00 C ATOM 0 H VAL A 47 -7.993 4.407 -5.740 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.088 5.586 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.776 3.327 -4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.505 4.101 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.050 3.525 -1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.354 5.271 -2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.318 5.141 -5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.149 6.343 -4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.732 5.307 -5.799 1.00 0.00 H new ATOM 197 N LEU A 48 -7.354 2.359 -3.212 1.00 0.00 N ATOM 198 CA LEU A 48 -6.772 1.296 -2.400 1.00 0.00 C ATOM 199 C LEU A 48 -5.337 1.636 -2.012 1.00 0.00 C ATOM 200 O LEU A 48 -4.897 1.330 -0.902 1.00 0.00 O ATOM 201 CB LEU A 48 -6.822 -0.050 -3.134 1.00 0.00 C ATOM 202 CG LEU A 48 -8.135 -0.834 -2.991 1.00 0.00 C ATOM 203 CD1 LEU A 48 -9.312 -0.054 -3.555 1.00 0.00 C ATOM 204 CD2 LEU A 48 -8.022 -2.186 -3.677 1.00 0.00 C ATOM 0 H LEU A 48 -7.535 2.101 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.366 1.210 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.639 0.127 -4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.006 -0.673 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.315 -0.990 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.225 -0.638 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.413 0.890 -3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.143 0.146 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.960 -2.729 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.809 -2.040 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.215 -2.759 -3.221 1.00 0.00 H new ATOM 216 N ALA A 49 -4.614 2.279 -2.924 1.00 0.00 N ATOM 217 CA ALA A 49 -3.245 2.706 -2.648 1.00 0.00 C ATOM 218 C ALA A 49 -3.210 3.780 -1.561 1.00 0.00 C ATOM 219 O ALA A 49 -2.422 3.697 -0.616 1.00 0.00 O ATOM 220 CB ALA A 49 -2.587 3.217 -3.918 1.00 0.00 C ATOM 0 H ALA A 49 -4.951 2.515 -3.857 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.688 1.842 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.567 3.532 -3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.568 2.422 -4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.153 4.064 -4.305 1.00 0.00 H new ATOM 226 N ILE A 50 -4.072 4.782 -1.698 1.00 0.00 N ATOM 227 CA ILE A 50 -4.165 5.862 -0.723 1.00 0.00 C ATOM 228 C ILE A 50 -4.680 5.320 0.604 1.00 0.00 C ATOM 229 O ILE A 50 -4.305 5.800 1.672 1.00 0.00 O ATOM 230 CB ILE A 50 -5.096 6.996 -1.210 1.00 0.00 C ATOM 231 CG1 ILE A 50 -4.652 7.505 -2.585 1.00 0.00 C ATOM 232 CG2 ILE A 50 -5.116 8.143 -0.206 1.00 0.00 C ATOM 233 CD1 ILE A 50 -5.596 8.519 -3.188 1.00 0.00 C ATOM 0 H ILE A 50 -4.720 4.868 -2.481 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.165 6.276 -0.595 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.105 6.593 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.662 7.951 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.560 6.658 -3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.777 8.931 -0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.477 7.779 0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.108 8.541 -0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.218 8.835 -4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.582 8.071 -3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.670 9.384 -2.529 1.00 0.00 H new ATOM 245 N LEU A 51 -5.545 4.316 0.524 1.00 0.00 N ATOM 246 CA LEU A 51 -6.031 3.632 1.711 1.00 0.00 C ATOM 247 C LEU A 51 -4.858 3.065 2.495 1.00 0.00 C ATOM 248 O LEU A 51 -4.684 3.376 3.671 1.00 0.00 O ATOM 249 CB LEU A 51 -6.983 2.498 1.335 1.00 0.00 C ATOM 250 CG LEU A 51 -7.629 1.784 2.520 1.00 0.00 C ATOM 251 CD1 LEU A 51 -8.867 2.535 2.990 1.00 0.00 C ATOM 252 CD2 LEU A 51 -7.962 0.348 2.157 1.00 0.00 C ATOM 0 H LEU A 51 -5.923 3.959 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.571 4.354 2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.771 2.900 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.436 1.765 0.742 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.917 1.766 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.312 2.010 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.587 3.543 3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.590 2.591 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.422 -0.146 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.655 0.337 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.048 -0.179 1.881 1.00 0.00 H new ATOM 264 N ALA A 52 -4.049 2.246 1.824 1.00 0.00 N ATOM 265 CA ALA A 52 -2.870 1.646 2.438 1.00 0.00 C ATOM 266 C ALA A 52 -1.959 2.725 3.008 1.00 0.00 C ATOM 267 O ALA A 52 -1.438 2.593 4.117 1.00 0.00 O ATOM 268 CB ALA A 52 -2.120 0.797 1.423 1.00 0.00 C ATOM 0 H ALA A 52 -4.192 1.983 0.849 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.194 1.002 3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.242 0.356 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.773 0.004 1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.806 1.422 0.587 1.00 0.00 H new ATOM 274 N PHE A 53 -1.790 3.796 2.243 1.00 0.00 N ATOM 275 CA PHE A 53 -1.054 4.967 2.696 1.00 0.00 C ATOM 276 C PHE A 53 -1.615 5.457 4.031 1.00 0.00 C ATOM 277 O PHE A 53 -0.905 5.526 5.024 1.00 0.00 O ATOM 278 CB PHE A 53 -1.145 6.067 1.627 1.00 0.00 C ATOM 279 CG PHE A 53 -0.485 7.370 1.991 1.00 0.00 C ATOM 280 CD1 PHE A 53 0.858 7.584 1.727 1.00 0.00 C ATOM 281 CD2 PHE A 53 -1.217 8.390 2.579 1.00 0.00 C ATOM 282 CE1 PHE A 53 1.457 8.789 2.044 1.00 0.00 C ATOM 283 CE2 PHE A 53 -0.622 9.595 2.901 1.00 0.00 C ATOM 284 CZ PHE A 53 0.717 9.794 2.634 1.00 0.00 C ATOM 0 H PHE A 53 -2.158 3.876 1.295 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.006 4.706 2.846 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.695 5.695 0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.197 6.258 1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.444 6.801 1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.266 8.241 2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.504 8.944 1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.204 10.380 3.361 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.185 10.734 2.886 1.00 0.00 H new ATOM 294 N LEU A 54 -2.905 5.742 4.055 1.00 0.00 N ATOM 295 CA LEU A 54 -3.562 6.286 5.243 1.00 0.00 C ATOM 296 C LEU A 54 -3.737 5.237 6.347 1.00 0.00 C ATOM 297 O LEU A 54 -4.239 5.545 7.425 1.00 0.00 O ATOM 298 CB LEU A 54 -4.922 6.876 4.865 1.00 0.00 C ATOM 299 CG LEU A 54 -4.871 8.077 3.914 1.00 0.00 C ATOM 300 CD1 LEU A 54 -6.272 8.476 3.480 1.00 0.00 C ATOM 301 CD2 LEU A 54 -4.167 9.254 4.574 1.00 0.00 C ATOM 0 H LEU A 54 -3.529 5.606 3.259 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.915 7.069 5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.524 6.093 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.436 7.177 5.778 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.304 7.787 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.214 9.330 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.746 7.639 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.862 8.745 4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.141 10.097 3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.707 9.541 5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.148 8.968 4.836 1.00 0.00 H new ATOM 313 N ARG A 55 -3.347 3.999 6.076 1.00 0.00 N ATOM 314 CA ARG A 55 -3.382 2.955 7.098 1.00 0.00 C ATOM 315 C ARG A 55 -2.024 2.799 7.764 1.00 0.00 C ATOM 316 O ARG A 55 -1.939 2.525 8.960 1.00 0.00 O ATOM 317 CB ARG A 55 -3.802 1.612 6.500 1.00 0.00 C ATOM 318 CG ARG A 55 -5.207 1.604 5.934 1.00 0.00 C ATOM 319 CD ARG A 55 -6.262 1.770 7.016 1.00 0.00 C ATOM 320 NE ARG A 55 -7.615 1.682 6.465 1.00 0.00 N ATOM 321 CZ ARG A 55 -8.724 1.609 7.203 1.00 0.00 C ATOM 322 NH1 ARG A 55 -8.650 1.616 8.529 1.00 0.00 N ATOM 323 NH2 ARG A 55 -9.908 1.523 6.611 1.00 0.00 N ATOM 0 H ARG A 55 -3.005 3.692 5.166 1.00 0.00 H new ATOM 0 HA ARG A 55 -4.116 3.260 7.844 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.101 1.342 5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.726 0.843 7.269 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.308 2.407 5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.378 0.668 5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.128 1.002 7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.131 2.733 7.509 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.717 1.676 5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.742 1.677 8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.502 1.560 9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.970 1.513 5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.757 1.467 7.174 1.00 0.00 H new ATOM 337 N PHE A 56 -0.964 2.961 6.986 1.00 0.00 N ATOM 338 CA PHE A 56 0.382 2.746 7.495 1.00 0.00 C ATOM 339 C PHE A 56 1.112 4.060 7.750 1.00 0.00 C ATOM 340 O PHE A 56 2.153 4.078 8.407 1.00 0.00 O ATOM 341 CB PHE A 56 1.180 1.864 6.532 1.00 0.00 C ATOM 342 CG PHE A 56 0.701 0.439 6.500 1.00 0.00 C ATOM 343 CD1 PHE A 56 -0.328 0.055 5.655 1.00 0.00 C ATOM 344 CD2 PHE A 56 1.276 -0.514 7.326 1.00 0.00 C ATOM 345 CE1 PHE A 56 -0.776 -1.252 5.636 1.00 0.00 C ATOM 346 CE2 PHE A 56 0.834 -1.822 7.309 1.00 0.00 C ATOM 347 CZ PHE A 56 -0.193 -2.191 6.464 1.00 0.00 C ATOM 0 H PHE A 56 -1.009 3.239 6.006 1.00 0.00 H new ATOM 0 HA PHE A 56 0.293 2.234 8.453 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.118 2.284 5.528 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.231 1.881 6.820 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.785 0.786 5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.079 -0.230 7.990 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.580 -1.539 4.975 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.291 -2.556 7.956 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.541 -3.213 6.450 1.00 0.00 H new ATOM 357 N THR A 57 0.576 5.157 7.233 1.00 0.00 N ATOM 358 CA THR A 57 1.153 6.471 7.501 1.00 0.00 C ATOM 359 C THR A 57 0.230 7.269 8.410 1.00 0.00 C ATOM 360 O THR A 57 0.570 8.359 8.862 1.00 0.00 O ATOM 361 CB THR A 57 1.418 7.283 6.210 1.00 0.00 C ATOM 362 OG1 THR A 57 0.191 7.789 5.677 1.00 0.00 O ATOM 363 CG2 THR A 57 2.098 6.427 5.153 1.00 0.00 C ATOM 0 H THR A 57 -0.248 5.167 6.632 1.00 0.00 H new ATOM 0 HA THR A 57 2.113 6.299 7.987 1.00 0.00 H new ATOM 0 HB THR A 57 2.075 8.112 6.474 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.481 7.076 5.668 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.271 7.024 4.258 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.051 6.064 5.537 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.459 5.579 4.906 1.00 0.00 H new ATOM 371 N ALA A 58 -0.937 6.704 8.677 1.00 0.00 N ATOM 372 CA ALA A 58 -1.948 7.353 9.497 1.00 0.00 C ATOM 373 C ALA A 58 -2.729 6.299 10.268 1.00 0.00 C ATOM 374 O ALA A 58 -2.406 5.114 10.199 1.00 0.00 O ATOM 375 CB ALA A 58 -2.880 8.185 8.626 1.00 0.00 C ATOM 0 H ALA A 58 -1.210 5.784 8.332 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.462 8.022 10.207 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.632 8.665 9.253 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.304 8.947 8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.372 7.539 7.899 1.00 0.00 H new ATOM 381 N ILE A 59 -3.734 6.728 11.017 1.00 0.00 N ATOM 382 CA ILE A 59 -4.555 5.802 11.788 1.00 0.00 C ATOM 383 C ILE A 59 -6.005 5.865 11.338 1.00 0.00 C ATOM 384 O ILE A 59 -6.781 4.925 11.517 1.00 0.00 O ATOM 385 CB ILE A 59 -4.452 6.090 13.308 1.00 0.00 C ATOM 386 CG1 ILE A 59 -3.010 5.907 13.795 1.00 0.00 C ATOM 387 CG2 ILE A 59 -5.394 5.198 14.105 1.00 0.00 C ATOM 388 CD1 ILE A 59 -2.474 4.501 13.614 1.00 0.00 C ATOM 0 H ILE A 59 -4.001 7.708 11.108 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.176 4.796 11.607 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.749 7.126 13.470 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.365 6.603 13.259 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.957 6.172 14.851 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.298 5.424 15.167 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.421 5.378 13.787 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.138 4.153 13.932 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.449 4.452 13.982 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.094 3.800 14.173 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.493 4.238 12.556 1.00 0.00 H new ATOM 400 N LYS A 60 -6.350 6.963 10.722 1.00 0.00 N ATOM 401 CA LYS A 60 -7.709 7.185 10.262 1.00 0.00 C ATOM 402 C LYS A 60 -7.715 7.786 8.862 1.00 0.00 C ATOM 403 O LYS A 60 -7.344 8.945 8.673 1.00 0.00 O ATOM 404 CB LYS A 60 -8.461 8.103 11.230 1.00 0.00 C ATOM 405 CG LYS A 60 -9.951 8.207 10.939 1.00 0.00 C ATOM 406 CD LYS A 60 -10.640 6.859 11.086 1.00 0.00 C ATOM 407 CE LYS A 60 -12.136 6.960 10.839 1.00 0.00 C ATOM 408 NZ LYS A 60 -12.820 5.658 11.059 1.00 0.00 N ATOM 0 H LYS A 60 -5.707 7.729 10.522 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.215 6.220 10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.323 7.736 12.247 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.021 9.099 11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.407 8.927 11.619 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.100 8.585 9.928 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.203 6.149 10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.463 6.467 12.088 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.564 7.712 11.502 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.314 7.296 9.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.839 5.767 10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.429 4.946 10.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.671 5.349 12.041 1.00 0.00 H new ATOM 422 N PRO A 61 -8.118 6.996 7.859 1.00 0.00 N ATOM 423 CA PRO A 61 -8.251 7.473 6.483 1.00 0.00 C ATOM 424 C PRO A 61 -9.397 8.468 6.340 1.00 0.00 C ATOM 425 O PRO A 61 -10.395 8.392 7.060 1.00 0.00 O ATOM 426 CB PRO A 61 -8.547 6.201 5.675 1.00 0.00 C ATOM 427 CG PRO A 61 -8.223 5.066 6.586 1.00 0.00 C ATOM 428 CD PRO A 61 -8.460 5.574 7.977 1.00 0.00 C ATOM 0 HA PRO A 61 -7.357 7.998 6.147 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.591 6.168 5.363 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.942 6.162 4.769 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.853 4.202 6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.189 4.746 6.458 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.494 5.430 8.291 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.831 5.065 8.707 1.00 0.00 H new ATOM 436 N SER A 62 -9.237 9.407 5.420 1.00 0.00 N ATOM 437 CA SER A 62 -10.250 10.415 5.164 1.00 0.00 C ATOM 438 C SER A 62 -11.505 9.776 4.578 1.00 0.00 C ATOM 439 O SER A 62 -11.425 8.856 3.757 1.00 0.00 O ATOM 440 CB SER A 62 -9.685 11.461 4.209 1.00 0.00 C ATOM 441 OG SER A 62 -8.383 11.852 4.616 1.00 0.00 O ATOM 0 H SER A 62 -8.406 9.490 4.834 1.00 0.00 H new ATOM 0 HA SER A 62 -10.526 10.896 6.102 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.651 11.058 3.197 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.341 12.331 4.183 1.00 0.00 H new ATOM 0 HG SER A 62 -8.033 12.522 3.993 1.00 0.00 H new ATOM 447 N LEU A 63 -12.659 10.280 5.007 1.00 0.00 N ATOM 448 CA LEU A 63 -13.951 9.698 4.655 1.00 0.00 C ATOM 449 C LEU A 63 -14.220 9.749 3.157 1.00 0.00 C ATOM 450 O LEU A 63 -15.074 9.021 2.659 1.00 0.00 O ATOM 451 CB LEU A 63 -15.075 10.403 5.414 1.00 0.00 C ATOM 452 CG LEU A 63 -15.037 10.233 6.934 1.00 0.00 C ATOM 453 CD1 LEU A 63 -16.160 11.019 7.587 1.00 0.00 C ATOM 454 CD2 LEU A 63 -15.132 8.762 7.309 1.00 0.00 C ATOM 0 H LEU A 63 -12.725 11.102 5.607 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.919 8.648 4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.037 11.467 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -16.031 10.030 5.046 1.00 0.00 H new ATOM 0 HG LEU A 63 -14.086 10.622 7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -16.117 10.886 8.668 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -16.051 12.077 7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -17.120 10.660 7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -15.103 8.661 8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -16.067 8.350 6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.293 8.220 6.872 1.00 0.00 H new ATOM 466 N GLY A 64 -13.505 10.610 2.445 1.00 0.00 N ATOM 467 CA GLY A 64 -13.612 10.639 0.998 1.00 0.00 C ATOM 468 C GLY A 64 -13.142 9.338 0.381 1.00 0.00 C ATOM 469 O GLY A 64 -13.835 8.741 -0.451 1.00 0.00 O ATOM 0 H GLY A 64 -12.854 11.288 2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.647 10.825 0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.019 11.465 0.605 1.00 0.00 H new ATOM 473 N LEU A 65 -11.972 8.883 0.816 1.00 0.00 N ATOM 474 CA LEU A 65 -11.418 7.624 0.345 1.00 0.00 C ATOM 475 C LEU A 65 -12.299 6.473 0.797 1.00 0.00 C ATOM 476 O LEU A 65 -12.547 5.543 0.041 1.00 0.00 O ATOM 477 CB LEU A 65 -9.986 7.414 0.859 1.00 0.00 C ATOM 478 CG LEU A 65 -8.905 8.322 0.254 1.00 0.00 C ATOM 479 CD1 LEU A 65 -8.966 8.302 -1.266 1.00 0.00 C ATOM 480 CD2 LEU A 65 -9.021 9.744 0.780 1.00 0.00 C ATOM 0 H LEU A 65 -11.389 9.371 1.496 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.385 7.657 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.986 7.556 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.705 6.377 0.674 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.935 7.931 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.190 8.953 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.808 7.284 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.943 8.654 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.242 10.362 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.999 10.149 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.905 9.742 1.864 1.00 0.00 H new ATOM 492 N ILE A 66 -12.782 6.557 2.032 1.00 0.00 N ATOM 493 CA ILE A 66 -13.654 5.527 2.595 1.00 0.00 C ATOM 494 C ILE A 66 -14.973 5.450 1.825 1.00 0.00 C ATOM 495 O ILE A 66 -15.512 4.365 1.595 1.00 0.00 O ATOM 496 CB ILE A 66 -13.940 5.802 4.088 1.00 0.00 C ATOM 497 CG1 ILE A 66 -12.629 5.846 4.876 1.00 0.00 C ATOM 498 CG2 ILE A 66 -14.880 4.751 4.668 1.00 0.00 C ATOM 499 CD1 ILE A 66 -11.858 4.541 4.861 1.00 0.00 C ATOM 0 H ILE A 66 -12.584 7.331 2.666 1.00 0.00 H new ATOM 0 HA ILE A 66 -13.136 4.572 2.506 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.432 6.771 4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.997 6.634 4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.847 6.116 5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.064 4.969 5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -15.824 4.767 4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -14.425 3.765 4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -10.942 4.653 5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.470 3.752 5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.607 4.278 3.833 1.00 0.00 H new ATOM 511 N ASN A 67 -15.473 6.609 1.415 1.00 0.00 N ATOM 512 CA ASN A 67 -16.708 6.695 0.645 1.00 0.00 C ATOM 513 C ASN A 67 -16.569 5.955 -0.680 1.00 0.00 C ATOM 514 O ASN A 67 -17.465 5.220 -1.092 1.00 0.00 O ATOM 515 CB ASN A 67 -17.066 8.164 0.389 1.00 0.00 C ATOM 516 CG ASN A 67 -18.368 8.349 -0.375 1.00 0.00 C ATOM 517 OD1 ASN A 67 -19.341 7.484 -0.132 1.00 0.00 O flip ATOM 518 ND2 ASN A 67 -18.507 9.293 -1.156 1.00 0.00 N flip ATOM 0 H ASN A 67 -15.037 7.511 1.605 1.00 0.00 H new ATOM 0 HA ASN A 67 -17.506 6.227 1.221 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -17.138 8.684 1.344 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -16.257 8.635 -0.169 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -17.734 9.939 -1.318 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -19.395 9.428 -1.640 1.00 0.00 H new ATOM 525 N ARG A 68 -15.432 6.136 -1.338 1.00 0.00 N ATOM 526 CA ARG A 68 -15.201 5.495 -2.627 1.00 0.00 C ATOM 527 C ARG A 68 -14.703 4.064 -2.430 1.00 0.00 C ATOM 528 O ARG A 68 -14.847 3.218 -3.308 1.00 0.00 O ATOM 529 CB ARG A 68 -14.204 6.314 -3.448 1.00 0.00 C ATOM 530 CG ARG A 68 -14.092 5.872 -4.899 1.00 0.00 C ATOM 531 CD ARG A 68 -13.329 6.892 -5.727 1.00 0.00 C ATOM 532 NE ARG A 68 -13.968 8.206 -5.684 1.00 0.00 N ATOM 533 CZ ARG A 68 -13.422 9.321 -6.163 1.00 0.00 C ATOM 534 NH1 ARG A 68 -12.232 9.291 -6.745 1.00 0.00 N ATOM 535 NH2 ARG A 68 -14.073 10.472 -6.062 1.00 0.00 N ATOM 0 H ARG A 68 -14.661 6.715 -1.005 1.00 0.00 H new ATOM 0 HA ARG A 68 -16.143 5.451 -3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.499 7.363 -3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.221 6.247 -2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.587 4.907 -4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.089 5.733 -5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.307 6.971 -5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.268 6.550 -6.760 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.893 8.273 -5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.727 8.409 -6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.821 10.150 -7.109 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.991 10.502 -5.618 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.656 11.328 -6.429 1.00 0.00 H new ATOM 549 N TRP A 69 -14.139 3.813 -1.258 1.00 0.00 N ATOM 550 CA TRP A 69 -13.638 2.495 -0.874 1.00 0.00 C ATOM 551 C TRP A 69 -14.740 1.447 -0.986 1.00 0.00 C ATOM 552 O TRP A 69 -14.575 0.425 -1.648 1.00 0.00 O ATOM 553 CB TRP A 69 -13.120 2.579 0.561 1.00 0.00 C ATOM 554 CG TRP A 69 -12.375 1.380 1.059 1.00 0.00 C ATOM 555 CD1 TRP A 69 -11.349 0.724 0.448 1.00 0.00 C ATOM 556 CD2 TRP A 69 -12.582 0.724 2.308 1.00 0.00 C ATOM 557 NE1 TRP A 69 -10.898 -0.294 1.253 1.00 0.00 N ATOM 558 CE2 TRP A 69 -11.642 -0.313 2.402 1.00 0.00 C ATOM 559 CE3 TRP A 69 -13.474 0.921 3.354 1.00 0.00 C ATOM 560 CZ2 TRP A 69 -11.568 -1.149 3.512 1.00 0.00 C ATOM 561 CZ3 TRP A 69 -13.404 0.093 4.454 1.00 0.00 C ATOM 562 CH2 TRP A 69 -12.454 -0.929 4.528 1.00 0.00 C ATOM 0 H TRP A 69 -14.013 4.524 -0.537 1.00 0.00 H new ATOM 0 HA TRP A 69 -12.831 2.196 -1.543 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -12.466 3.448 0.640 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -13.968 2.757 1.223 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -10.949 0.968 -0.525 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -10.134 -0.932 1.031 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -14.210 1.710 3.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -10.837 -1.942 3.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -14.095 0.237 5.272 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -12.420 -1.557 5.406 1.00 0.00 H new ATOM 573 N GLY A 70 -15.879 1.729 -0.366 1.00 0.00 N ATOM 574 CA GLY A 70 -17.001 0.810 -0.418 1.00 0.00 C ATOM 575 C GLY A 70 -17.712 0.836 -1.761 1.00 0.00 C ATOM 576 O GLY A 70 -18.684 0.111 -1.970 1.00 0.00 O ATOM 0 H GLY A 70 -16.046 2.579 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.648 -0.201 -0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.710 1.063 0.370 1.00 0.00 H new ATOM 580 N SER A 71 -17.230 1.677 -2.666 1.00 0.00 N ATOM 581 CA SER A 71 -17.807 1.791 -3.995 1.00 0.00 C ATOM 582 C SER A 71 -16.973 1.002 -5.003 1.00 0.00 C ATOM 583 O SER A 71 -17.433 0.711 -6.110 1.00 0.00 O ATOM 584 CB SER A 71 -17.890 3.266 -4.406 1.00 0.00 C ATOM 585 OG SER A 71 -18.549 3.428 -5.653 1.00 0.00 O ATOM 0 H SER A 71 -16.435 2.294 -2.500 1.00 0.00 H new ATOM 0 HA SER A 71 -18.814 1.375 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 71 -18.421 3.828 -3.638 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.885 3.683 -4.469 1.00 0.00 H new ATOM 0 HG SER A 71 -18.585 4.380 -5.883 1.00 0.00 H new ATOM 591 N VAL A 72 -15.748 0.661 -4.609 1.00 0.00 N ATOM 592 CA VAL A 72 -14.853 -0.127 -5.446 1.00 0.00 C ATOM 593 C VAL A 72 -15.465 -1.491 -5.749 1.00 0.00 C ATOM 594 O VAL A 72 -15.992 -2.157 -4.852 1.00 0.00 O ATOM 595 CB VAL A 72 -13.479 -0.329 -4.763 1.00 0.00 C ATOM 596 CG1 VAL A 72 -12.547 -1.149 -5.644 1.00 0.00 C ATOM 597 CG2 VAL A 72 -12.845 1.011 -4.419 1.00 0.00 C ATOM 0 H VAL A 72 -15.352 0.922 -3.706 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.708 0.423 -6.376 1.00 0.00 H new ATOM 0 HB VAL A 72 -13.644 -0.880 -3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.589 -1.276 -5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.991 -2.127 -5.832 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.393 -0.632 -6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -11.880 0.845 -3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -12.702 1.591 -5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -13.498 1.559 -3.739 1.00 0.00 H new ATOM 607 N GLY A 73 -15.416 -1.887 -7.017 1.00 0.00 N ATOM 608 CA GLY A 73 -15.910 -3.185 -7.408 1.00 0.00 C ATOM 609 C GLY A 73 -15.131 -4.293 -6.741 1.00 0.00 C ATOM 610 O GLY A 73 -13.921 -4.402 -6.926 1.00 0.00 O ATOM 0 H GLY A 73 -15.040 -1.325 -7.781 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.964 -3.270 -7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -15.842 -3.291 -8.491 1.00 0.00 H new ATOM 614 N LYS A 74 -15.831 -5.108 -5.968 1.00 0.00 N ATOM 615 CA LYS A 74 -15.213 -6.168 -5.179 1.00 0.00 C ATOM 616 C LYS A 74 -14.440 -7.157 -6.050 1.00 0.00 C ATOM 617 O LYS A 74 -13.518 -7.819 -5.577 1.00 0.00 O ATOM 618 CB LYS A 74 -16.289 -6.886 -4.367 1.00 0.00 C ATOM 619 CG LYS A 74 -17.495 -7.303 -5.195 1.00 0.00 C ATOM 620 CD LYS A 74 -18.691 -7.619 -4.315 1.00 0.00 C ATOM 621 CE LYS A 74 -18.449 -8.837 -3.445 1.00 0.00 C ATOM 622 NZ LYS A 74 -18.271 -10.076 -4.246 1.00 0.00 N ATOM 0 H LYS A 74 -16.845 -5.055 -5.868 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.488 -5.713 -4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -15.853 -7.771 -3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -16.620 -6.233 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -17.754 -6.504 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -17.242 -8.178 -5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -18.913 -6.760 -3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -19.567 -7.789 -4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.563 -8.673 -2.832 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -19.289 -8.966 -2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.096 -10.696 -4.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -18.181 -9.829 -5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -17.412 -10.571 -3.933 1.00 0.00 H new ATOM 636 N LYS A 75 -14.820 -7.256 -7.316 1.00 0.00 N ATOM 637 CA LYS A 75 -14.096 -8.087 -8.267 1.00 0.00 C ATOM 638 C LYS A 75 -12.738 -7.469 -8.581 1.00 0.00 C ATOM 639 O LYS A 75 -11.689 -8.089 -8.373 1.00 0.00 O ATOM 640 CB LYS A 75 -14.912 -8.245 -9.555 1.00 0.00 C ATOM 641 CG LYS A 75 -14.145 -8.888 -10.703 1.00 0.00 C ATOM 642 CD LYS A 75 -13.632 -10.273 -10.343 1.00 0.00 C ATOM 643 CE LYS A 75 -12.781 -10.847 -11.462 1.00 0.00 C ATOM 644 NZ LYS A 75 -12.245 -12.192 -11.130 1.00 0.00 N ATOM 0 H LYS A 75 -15.627 -6.770 -7.709 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.939 -9.071 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.796 -8.846 -9.341 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.264 -7.263 -9.872 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.793 -8.958 -11.577 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.305 -8.251 -10.979 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.045 -10.220 -9.426 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.474 -10.936 -10.145 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.377 -10.910 -12.373 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.953 -10.169 -11.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.671 -12.542 -11.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.654 -12.129 -10.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.034 -12.847 -10.958 1.00 0.00 H new ATOM 658 N GLU A 76 -12.765 -6.236 -9.061 1.00 0.00 N ATOM 659 CA GLU A 76 -11.549 -5.549 -9.454 1.00 0.00 C ATOM 660 C GLU A 76 -10.680 -5.254 -8.240 1.00 0.00 C ATOM 661 O GLU A 76 -9.457 -5.235 -8.341 1.00 0.00 O ATOM 662 CB GLU A 76 -11.884 -4.267 -10.212 1.00 0.00 C ATOM 663 CG GLU A 76 -10.661 -3.491 -10.660 1.00 0.00 C ATOM 664 CD GLU A 76 -10.913 -2.705 -11.926 1.00 0.00 C ATOM 665 OE1 GLU A 76 -11.753 -1.781 -11.913 1.00 0.00 O ATOM 666 OE2 GLU A 76 -10.273 -3.021 -12.953 1.00 0.00 O ATOM 0 H GLU A 76 -13.618 -5.691 -9.187 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.983 -6.201 -10.120 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.485 -4.518 -11.086 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.497 -3.628 -9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.355 -2.809 -9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.834 -4.182 -10.823 1.00 0.00 H new ATOM 673 N ALA A 77 -11.314 -5.043 -7.091 1.00 0.00 N ATOM 674 CA ALA A 77 -10.588 -4.859 -5.841 1.00 0.00 C ATOM 675 C ALA A 77 -9.655 -6.035 -5.604 1.00 0.00 C ATOM 676 O ALA A 77 -8.492 -5.856 -5.252 1.00 0.00 O ATOM 677 CB ALA A 77 -11.554 -4.707 -4.675 1.00 0.00 C ATOM 0 H ALA A 77 -12.329 -4.995 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.996 -3.947 -5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.991 -4.571 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.192 -3.839 -4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.171 -5.602 -4.595 1.00 0.00 H new ATOM 683 N MET A 78 -10.168 -7.241 -5.831 1.00 0.00 N ATOM 684 CA MET A 78 -9.372 -8.447 -5.670 1.00 0.00 C ATOM 685 C MET A 78 -8.233 -8.467 -6.676 1.00 0.00 C ATOM 686 O MET A 78 -7.113 -8.846 -6.342 1.00 0.00 O ATOM 687 CB MET A 78 -10.233 -9.702 -5.834 1.00 0.00 C ATOM 688 CG MET A 78 -11.289 -9.863 -4.755 1.00 0.00 C ATOM 689 SD MET A 78 -12.167 -11.431 -4.865 1.00 0.00 S ATOM 690 CE MET A 78 -13.265 -11.286 -3.457 1.00 0.00 C ATOM 0 H MET A 78 -11.130 -7.406 -6.126 1.00 0.00 H new ATOM 0 HA MET A 78 -8.959 -8.443 -4.661 1.00 0.00 H new ATOM 0 HB2 MET A 78 -10.723 -9.671 -6.807 1.00 0.00 H new ATOM 0 HB3 MET A 78 -9.586 -10.579 -5.830 1.00 0.00 H new ATOM 0 HG2 MET A 78 -10.816 -9.785 -3.776 1.00 0.00 H new ATOM 0 HG3 MET A 78 -12.005 -9.045 -4.829 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.882 -12.182 -3.383 1.00 0.00 H new ATOM 0 HE2 MET A 78 -12.676 -11.175 -2.546 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.906 -10.413 -3.584 1.00 0.00 H new ATOM 700 N GLU A 79 -8.526 -8.047 -7.902 1.00 0.00 N ATOM 701 CA GLU A 79 -7.518 -7.989 -8.957 1.00 0.00 C ATOM 702 C GLU A 79 -6.418 -6.987 -8.606 1.00 0.00 C ATOM 703 O GLU A 79 -5.230 -7.247 -8.819 1.00 0.00 O ATOM 704 CB GLU A 79 -8.159 -7.611 -10.290 1.00 0.00 C ATOM 705 CG GLU A 79 -9.240 -8.577 -10.738 1.00 0.00 C ATOM 706 CD GLU A 79 -9.779 -8.253 -12.115 1.00 0.00 C ATOM 707 OE1 GLU A 79 -9.427 -8.970 -13.074 1.00 0.00 O ATOM 708 OE2 GLU A 79 -10.544 -7.275 -12.253 1.00 0.00 O ATOM 0 H GLU A 79 -9.455 -7.741 -8.191 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.070 -8.979 -9.047 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.587 -6.612 -10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.385 -7.564 -11.056 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.838 -9.590 -10.739 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.059 -8.559 -10.018 1.00 0.00 H new ATOM 715 N ILE A 80 -6.825 -5.841 -8.072 1.00 0.00 N ATOM 716 CA ILE A 80 -5.886 -4.817 -7.633 1.00 0.00 C ATOM 717 C ILE A 80 -5.008 -5.355 -6.511 1.00 0.00 C ATOM 718 O ILE A 80 -3.788 -5.197 -6.535 1.00 0.00 O ATOM 719 CB ILE A 80 -6.615 -3.545 -7.139 1.00 0.00 C ATOM 720 CG1 ILE A 80 -7.459 -2.939 -8.263 1.00 0.00 C ATOM 721 CG2 ILE A 80 -5.613 -2.520 -6.616 1.00 0.00 C ATOM 722 CD1 ILE A 80 -8.363 -1.814 -7.805 1.00 0.00 C ATOM 0 H ILE A 80 -7.806 -5.597 -7.932 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.272 -4.551 -8.493 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.278 -3.827 -6.321 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.795 -2.566 -9.043 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.068 -3.724 -8.711 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.145 -1.633 -6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.052 -2.950 -5.786 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.924 -2.244 -7.415 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.930 -1.434 -8.655 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.052 -2.186 -7.047 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.759 -1.011 -7.383 1.00 0.00 H new ATOM 734 N ILE A 81 -5.639 -6.009 -5.542 1.00 0.00 N ATOM 735 CA ILE A 81 -4.918 -6.580 -4.407 1.00 0.00 C ATOM 736 C ILE A 81 -3.908 -7.635 -4.866 1.00 0.00 C ATOM 737 O ILE A 81 -2.814 -7.740 -4.305 1.00 0.00 O ATOM 738 CB ILE A 81 -5.887 -7.187 -3.364 1.00 0.00 C ATOM 739 CG1 ILE A 81 -6.782 -6.094 -2.766 1.00 0.00 C ATOM 740 CG2 ILE A 81 -5.124 -7.907 -2.260 1.00 0.00 C ATOM 741 CD1 ILE A 81 -6.018 -4.972 -2.090 1.00 0.00 C ATOM 0 H ILE A 81 -6.648 -6.158 -5.518 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.374 -5.764 -3.931 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.515 -7.917 -3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.401 -5.672 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.457 -6.548 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.830 -8.323 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.530 -8.712 -2.693 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.465 -7.202 -1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.722 -4.240 -1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.420 -5.379 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.363 -4.489 -2.815 1.00 0.00 H new ATOM 753 N LYS A 82 -4.268 -8.403 -5.895 1.00 0.00 N ATOM 754 CA LYS A 82 -3.344 -9.377 -6.474 1.00 0.00 C ATOM 755 C LYS A 82 -2.078 -8.677 -6.951 1.00 0.00 C ATOM 756 O LYS A 82 -0.961 -9.089 -6.627 1.00 0.00 O ATOM 757 CB LYS A 82 -3.980 -10.116 -7.659 1.00 0.00 C ATOM 758 CG LYS A 82 -5.228 -10.912 -7.317 1.00 0.00 C ATOM 759 CD LYS A 82 -4.958 -11.970 -6.261 1.00 0.00 C ATOM 760 CE LYS A 82 -6.193 -12.816 -6.001 1.00 0.00 C ATOM 761 NZ LYS A 82 -7.366 -11.986 -5.617 1.00 0.00 N ATOM 0 H LYS A 82 -5.185 -8.370 -6.341 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.101 -10.103 -5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.230 -9.388 -8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.240 -10.793 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.004 -10.234 -6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -5.612 -11.390 -8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.138 -12.610 -6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.641 -11.490 -5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.433 -13.391 -6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.981 -13.533 -5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.122 -12.601 -5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.086 -11.309 -4.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.711 -11.467 -6.449 1.00 0.00 H new ATOM 775 N LYS A 83 -2.267 -7.609 -7.716 1.00 0.00 N ATOM 776 CA LYS A 83 -1.154 -6.842 -8.256 1.00 0.00 C ATOM 777 C LYS A 83 -0.381 -6.163 -7.135 1.00 0.00 C ATOM 778 O LYS A 83 0.849 -6.153 -7.138 1.00 0.00 O ATOM 779 CB LYS A 83 -1.664 -5.795 -9.245 1.00 0.00 C ATOM 780 CG LYS A 83 -2.419 -6.390 -10.419 1.00 0.00 C ATOM 781 CD LYS A 83 -2.980 -5.309 -11.325 1.00 0.00 C ATOM 782 CE LYS A 83 -3.752 -5.907 -12.489 1.00 0.00 C ATOM 783 NZ LYS A 83 -4.896 -6.740 -12.029 1.00 0.00 N ATOM 0 H LYS A 83 -3.187 -7.254 -7.977 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.485 -7.527 -8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.316 -5.097 -8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.818 -5.219 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.753 -7.036 -10.991 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.232 -7.016 -10.051 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.635 -4.654 -10.750 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.166 -4.692 -11.705 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.121 -5.106 -13.129 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.081 -6.516 -13.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.751 -6.479 -12.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.681 -7.745 -12.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.056 -6.580 -11.014 1.00 0.00 H new ATOM 797 N PHE A 84 -1.117 -5.622 -6.174 1.00 0.00 N ATOM 798 CA PHE A 84 -0.533 -4.908 -5.048 1.00 0.00 C ATOM 799 C PHE A 84 0.456 -5.800 -4.302 1.00 0.00 C ATOM 800 O PHE A 84 1.605 -5.419 -4.076 1.00 0.00 O ATOM 801 CB PHE A 84 -1.640 -4.445 -4.099 1.00 0.00 C ATOM 802 CG PHE A 84 -1.369 -3.122 -3.442 1.00 0.00 C ATOM 803 CD1 PHE A 84 -0.372 -2.990 -2.490 1.00 0.00 C ATOM 804 CD2 PHE A 84 -2.122 -2.007 -3.776 1.00 0.00 C ATOM 805 CE1 PHE A 84 -0.129 -1.772 -1.886 1.00 0.00 C ATOM 806 CE2 PHE A 84 -1.883 -0.787 -3.176 1.00 0.00 C ATOM 807 CZ PHE A 84 -0.886 -0.669 -2.229 1.00 0.00 C ATOM 0 H PHE A 84 -2.136 -5.666 -6.153 1.00 0.00 H new ATOM 0 HA PHE A 84 0.004 -4.038 -5.426 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.576 -4.378 -4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -1.781 -5.201 -3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.222 -3.849 -2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.905 -2.094 -4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.652 -1.682 -1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.476 0.074 -3.447 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.698 0.284 -1.757 1.00 0.00 H new ATOM 817 N LYS A 85 0.007 -6.998 -3.944 1.00 0.00 N ATOM 818 CA LYS A 85 0.847 -7.946 -3.222 1.00 0.00 C ATOM 819 C LYS A 85 2.049 -8.375 -4.060 1.00 0.00 C ATOM 820 O LYS A 85 3.131 -8.621 -3.524 1.00 0.00 O ATOM 821 CB LYS A 85 0.039 -9.177 -2.803 1.00 0.00 C ATOM 822 CG LYS A 85 -1.052 -8.881 -1.784 1.00 0.00 C ATOM 823 CD LYS A 85 -1.752 -10.157 -1.349 1.00 0.00 C ATOM 824 CE LYS A 85 -2.815 -9.892 -0.294 1.00 0.00 C ATOM 825 NZ LYS A 85 -3.491 -11.146 0.135 1.00 0.00 N ATOM 0 H LYS A 85 -0.935 -7.336 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 85 1.214 -7.442 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.416 -9.620 -3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.718 -9.921 -2.387 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.618 -8.386 -0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.779 -8.192 -2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.212 -10.632 -2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.016 -10.858 -0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.357 -9.411 0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.555 -9.197 -0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.345 -10.911 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.757 -11.701 -0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.844 -11.703 0.729 1.00 0.00 H new ATOM 839 N LYS A 86 1.857 -8.473 -5.372 1.00 0.00 N ATOM 840 CA LYS A 86 2.943 -8.849 -6.273 1.00 0.00 C ATOM 841 C LYS A 86 3.997 -7.751 -6.357 1.00 0.00 C ATOM 842 O LYS A 86 5.197 -8.034 -6.331 1.00 0.00 O ATOM 843 CB LYS A 86 2.410 -9.173 -7.667 1.00 0.00 C ATOM 844 CG LYS A 86 1.608 -10.458 -7.725 1.00 0.00 C ATOM 845 CD LYS A 86 1.186 -10.782 -9.145 1.00 0.00 C ATOM 846 CE LYS A 86 0.362 -12.056 -9.204 1.00 0.00 C ATOM 847 NZ LYS A 86 -0.904 -11.932 -8.437 1.00 0.00 N ATOM 0 H LYS A 86 0.964 -8.298 -5.834 1.00 0.00 H new ATOM 0 HA LYS A 86 3.412 -9.744 -5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.785 -8.348 -8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.248 -9.246 -8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.203 -11.279 -7.324 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.725 -10.366 -7.093 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.606 -9.953 -9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.070 -10.890 -9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.135 -12.294 -10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.947 -12.886 -8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.692 -12.303 -9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.829 -12.474 -7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.079 -10.931 -8.215 1.00 0.00 H new ATOM 861 N ASP A 87 3.551 -6.501 -6.452 1.00 0.00 N ATOM 862 CA ASP A 87 4.472 -5.369 -6.486 1.00 0.00 C ATOM 863 C ASP A 87 5.230 -5.268 -5.173 1.00 0.00 C ATOM 864 O ASP A 87 6.433 -5.012 -5.165 1.00 0.00 O ATOM 865 CB ASP A 87 3.740 -4.052 -6.773 1.00 0.00 C ATOM 866 CG ASP A 87 3.648 -3.740 -8.256 1.00 0.00 C ATOM 867 OD1 ASP A 87 4.611 -3.166 -8.812 1.00 0.00 O ATOM 868 OD2 ASP A 87 2.618 -4.061 -8.879 1.00 0.00 O ATOM 0 H ASP A 87 2.564 -6.248 -6.506 1.00 0.00 H new ATOM 0 HA ASP A 87 5.178 -5.542 -7.298 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.735 -4.102 -6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.257 -3.237 -6.266 1.00 0.00 H new ATOM 873 N LEU A 88 4.526 -5.491 -4.066 1.00 0.00 N ATOM 874 CA LEU A 88 5.150 -5.496 -2.747 1.00 0.00 C ATOM 875 C LEU A 88 6.251 -6.545 -2.687 1.00 0.00 C ATOM 876 O LEU A 88 7.341 -6.290 -2.178 1.00 0.00 O ATOM 877 CB LEU A 88 4.116 -5.784 -1.656 1.00 0.00 C ATOM 878 CG LEU A 88 3.044 -4.711 -1.454 1.00 0.00 C ATOM 879 CD1 LEU A 88 2.049 -5.159 -0.396 1.00 0.00 C ATOM 880 CD2 LEU A 88 3.676 -3.383 -1.063 1.00 0.00 C ATOM 0 H LEU A 88 3.522 -5.671 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 88 5.579 -4.509 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.620 -6.726 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.642 -5.927 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 88 2.515 -4.569 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.291 -4.388 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.572 -6.086 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.570 -5.325 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.895 -2.635 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.231 -3.504 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.355 -3.057 -1.851 1.00 0.00 H new ATOM 892 N ALA A 89 5.954 -7.722 -3.226 1.00 0.00 N ATOM 893 CA ALA A 89 6.908 -8.821 -3.253 1.00 0.00 C ATOM 894 C ALA A 89 8.153 -8.440 -4.044 1.00 0.00 C ATOM 895 O ALA A 89 9.275 -8.695 -3.610 1.00 0.00 O ATOM 896 CB ALA A 89 6.258 -10.059 -3.850 1.00 0.00 C ATOM 0 H ALA A 89 5.053 -7.939 -3.653 1.00 0.00 H new ATOM 0 HA ALA A 89 7.212 -9.040 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.979 -10.876 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.398 -10.346 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.931 -9.843 -4.867 1.00 0.00 H new ATOM 902 N ALA A 90 7.947 -7.817 -5.198 1.00 0.00 N ATOM 903 CA ALA A 90 9.051 -7.393 -6.047 1.00 0.00 C ATOM 904 C ALA A 90 9.923 -6.368 -5.331 1.00 0.00 C ATOM 905 O ALA A 90 11.150 -6.479 -5.325 1.00 0.00 O ATOM 906 CB ALA A 90 8.524 -6.823 -7.355 1.00 0.00 C ATOM 0 H ALA A 90 7.023 -7.594 -5.567 1.00 0.00 H new ATOM 0 HA ALA A 90 9.666 -8.265 -6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.361 -6.510 -7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.947 -7.586 -7.878 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.886 -5.964 -7.147 1.00 0.00 H new ATOM 912 N MET A 91 9.277 -5.383 -4.714 1.00 0.00 N ATOM 913 CA MET A 91 9.985 -4.333 -3.988 1.00 0.00 C ATOM 914 C MET A 91 10.761 -4.924 -2.819 1.00 0.00 C ATOM 915 O MET A 91 11.896 -4.534 -2.552 1.00 0.00 O ATOM 916 CB MET A 91 9.004 -3.273 -3.480 1.00 0.00 C ATOM 917 CG MET A 91 8.182 -2.629 -4.584 1.00 0.00 C ATOM 918 SD MET A 91 9.198 -1.850 -5.853 1.00 0.00 S ATOM 919 CE MET A 91 7.955 -1.503 -7.094 1.00 0.00 C ATOM 0 H MET A 91 8.261 -5.290 -4.702 1.00 0.00 H new ATOM 0 HA MET A 91 10.687 -3.860 -4.674 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.330 -3.731 -2.756 1.00 0.00 H new ATOM 0 HB3 MET A 91 9.560 -2.498 -2.953 1.00 0.00 H new ATOM 0 HG2 MET A 91 7.549 -3.386 -5.047 1.00 0.00 H new ATOM 0 HG3 MET A 91 7.519 -1.882 -4.148 1.00 0.00 H new ATOM 0 HE1 MET A 91 8.422 -1.018 -7.951 1.00 0.00 H new ATOM 0 HE2 MET A 91 7.490 -2.436 -7.414 1.00 0.00 H new ATOM 0 HE3 MET A 91 7.195 -0.844 -6.674 1.00 0.00 H new ATOM 929 N LEU A 92 10.141 -5.879 -2.140 1.00 0.00 N ATOM 930 CA LEU A 92 10.762 -6.564 -1.014 1.00 0.00 C ATOM 931 C LEU A 92 12.045 -7.267 -1.449 1.00 0.00 C ATOM 932 O LEU A 92 13.070 -7.199 -0.766 1.00 0.00 O ATOM 933 CB LEU A 92 9.783 -7.578 -0.424 1.00 0.00 C ATOM 934 CG LEU A 92 10.294 -8.347 0.791 1.00 0.00 C ATOM 935 CD1 LEU A 92 10.676 -7.384 1.902 1.00 0.00 C ATOM 936 CD2 LEU A 92 9.241 -9.335 1.268 1.00 0.00 C ATOM 0 H LEU A 92 9.197 -6.200 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 92 11.018 -5.825 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.869 -7.055 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.515 -8.294 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 92 11.184 -8.907 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.039 -7.946 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.460 -6.714 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.803 -6.799 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.617 -9.878 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.334 -8.796 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.015 -10.041 0.468 1.00 0.00 H new ATOM 948 N ARG A 93 11.983 -7.934 -2.596 1.00 0.00 N ATOM 949 CA ARG A 93 13.143 -8.622 -3.148 1.00 0.00 C ATOM 950 C ARG A 93 14.258 -7.627 -3.450 1.00 0.00 C ATOM 951 O ARG A 93 15.441 -7.938 -3.301 1.00 0.00 O ATOM 952 CB ARG A 93 12.759 -9.383 -4.419 1.00 0.00 C ATOM 953 CG ARG A 93 11.707 -10.455 -4.191 1.00 0.00 C ATOM 954 CD ARG A 93 11.223 -11.042 -5.504 1.00 0.00 C ATOM 955 NE ARG A 93 10.075 -11.928 -5.318 1.00 0.00 N ATOM 956 CZ ARG A 93 9.050 -12.005 -6.167 1.00 0.00 C ATOM 957 NH1 ARG A 93 9.038 -11.264 -7.268 1.00 0.00 N ATOM 958 NH2 ARG A 93 8.040 -12.830 -5.919 1.00 0.00 N ATOM 0 H ARG A 93 11.139 -8.013 -3.163 1.00 0.00 H new ATOM 0 HA ARG A 93 13.503 -9.337 -2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 93 12.389 -8.674 -5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 93 13.652 -9.846 -4.839 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.121 -11.247 -3.567 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.863 -10.030 -3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.951 -10.234 -6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.035 -11.595 -5.975 1.00 0.00 H new ATOM 0 HE ARG A 93 10.057 -12.523 -4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.815 -10.633 -7.467 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.252 -11.325 -7.915 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.047 -13.406 -5.078 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.257 -12.887 -6.570 1.00 0.00 H new ATOM 972 N ILE A 94 13.872 -6.425 -3.862 1.00 0.00 N ATOM 973 CA ILE A 94 14.833 -5.369 -4.141 1.00 0.00 C ATOM 974 C ILE A 94 15.483 -4.871 -2.852 1.00 0.00 C ATOM 975 O ILE A 94 16.697 -4.692 -2.802 1.00 0.00 O ATOM 976 CB ILE A 94 14.182 -4.190 -4.890 1.00 0.00 C ATOM 977 CG1 ILE A 94 13.568 -4.682 -6.204 1.00 0.00 C ATOM 978 CG2 ILE A 94 15.210 -3.098 -5.155 1.00 0.00 C ATOM 979 CD1 ILE A 94 12.758 -3.634 -6.933 1.00 0.00 C ATOM 0 H ILE A 94 12.898 -6.159 -4.010 1.00 0.00 H new ATOM 0 HA ILE A 94 15.602 -5.796 -4.784 1.00 0.00 H new ATOM 0 HB ILE A 94 13.390 -3.770 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 94 14.367 -5.030 -6.859 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.930 -5.541 -5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.735 -2.272 -5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 94 15.611 -2.739 -4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 94 16.020 -3.501 -5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 94 12.357 -4.059 -7.853 1.00 0.00 H new ATOM 0 HD12 ILE A 94 11.936 -3.302 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.396 -2.784 -7.174 1.00 0.00 H new ATOM 991 N ILE A 95 14.679 -4.667 -1.805 1.00 0.00 N ATOM 992 CA ILE A 95 15.210 -4.262 -0.498 1.00 0.00 C ATOM 993 C ILE A 95 16.236 -5.278 -0.018 1.00 0.00 C ATOM 994 O ILE A 95 17.293 -4.926 0.510 1.00 0.00 O ATOM 995 CB ILE A 95 14.111 -4.142 0.576 1.00 0.00 C ATOM 996 CG1 ILE A 95 12.970 -3.273 0.076 1.00 0.00 C ATOM 997 CG2 ILE A 95 14.695 -3.521 1.836 1.00 0.00 C ATOM 998 CD1 ILE A 95 13.398 -1.851 -0.166 1.00 0.00 C ATOM 0 H ILE A 95 13.665 -4.774 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 95 15.664 -3.281 -0.636 1.00 0.00 H new ATOM 0 HB ILE A 95 13.729 -5.139 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 95 12.575 -3.693 -0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.159 -3.287 0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 95 13.917 -3.437 2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.501 -4.151 2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.086 -2.530 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.547 -1.271 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 95 13.768 -1.419 0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 95 14.190 -1.832 -0.915 1.00 0.00 H new ATOM 1010 N ASN A 96 15.907 -6.544 -0.224 1.00 0.00 N ATOM 1011 CA ASN A 96 16.780 -7.645 0.146 1.00 0.00 C ATOM 1012 C ASN A 96 18.062 -7.617 -0.683 1.00 0.00 C ATOM 1013 O ASN A 96 19.152 -7.913 -0.186 1.00 0.00 O ATOM 1014 CB ASN A 96 16.042 -8.974 -0.054 1.00 0.00 C ATOM 1015 CG ASN A 96 16.846 -10.184 0.385 1.00 0.00 C ATOM 1016 OD1 ASN A 96 16.778 -10.604 1.541 1.00 0.00 O ATOM 1017 ND2 ASN A 96 17.592 -10.771 -0.534 1.00 0.00 N ATOM 0 H ASN A 96 15.028 -6.836 -0.652 1.00 0.00 H new ATOM 0 HA ASN A 96 17.054 -7.542 1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 96 15.106 -8.948 0.503 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.783 -9.082 -1.107 1.00 0.00 H new ATOM 0 HD21 ASN A 96 18.136 -11.600 -0.296 1.00 0.00 H new ATOM 0 HD22 ASN A 96 17.624 -10.395 -1.482 1.00 0.00 H new ATOM 1024 N ALA A 97 17.924 -7.238 -1.944 1.00 0.00 N ATOM 1025 CA ALA A 97 19.053 -7.178 -2.858 1.00 0.00 C ATOM 1026 C ALA A 97 19.930 -5.965 -2.575 1.00 0.00 C ATOM 1027 O ALA A 97 21.123 -5.975 -2.871 1.00 0.00 O ATOM 1028 CB ALA A 97 18.562 -7.147 -4.298 1.00 0.00 C ATOM 0 H ALA A 97 17.033 -6.965 -2.360 1.00 0.00 H new ATOM 0 HA ALA A 97 19.657 -8.073 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 97 19.417 -7.102 -4.973 1.00 0.00 H new ATOM 0 HB2 ALA A 97 17.983 -8.047 -4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 97 17.934 -6.269 -4.449 1.00 0.00 H new ATOM 1034 N ARG A 98 19.345 -4.935 -1.974 1.00 0.00 N ATOM 1035 CA ARG A 98 20.052 -3.677 -1.749 1.00 0.00 C ATOM 1036 C ARG A 98 21.119 -3.805 -0.669 1.00 0.00 C ATOM 1037 O ARG A 98 21.902 -2.882 -0.453 1.00 0.00 O ATOM 1038 CB ARG A 98 19.076 -2.549 -1.400 1.00 0.00 C ATOM 1039 CG ARG A 98 18.214 -2.082 -2.572 1.00 0.00 C ATOM 1040 CD ARG A 98 19.051 -1.525 -3.720 1.00 0.00 C ATOM 1041 NE ARG A 98 19.762 -2.573 -4.458 1.00 0.00 N ATOM 1042 CZ ARG A 98 21.067 -2.549 -4.731 1.00 0.00 C ATOM 1043 NH1 ARG A 98 21.812 -1.508 -4.376 1.00 0.00 N ATOM 1044 NH2 ARG A 98 21.626 -3.571 -5.368 1.00 0.00 N ATOM 0 H ARG A 98 18.384 -4.945 -1.634 1.00 0.00 H new ATOM 0 HA ARG A 98 20.555 -3.427 -2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 98 18.423 -2.885 -0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 98 19.642 -1.699 -1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 98 17.614 -2.917 -2.934 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.519 -1.316 -2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.403 -0.978 -4.405 1.00 0.00 H new ATOM 0 HD3 ARG A 98 19.773 -0.810 -3.325 1.00 0.00 H new ATOM 0 HE ARG A 98 19.222 -3.374 -4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 98 21.387 -0.718 -3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 98 22.809 -1.498 -4.589 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.058 -4.371 -5.647 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.624 -3.556 -5.579 1.00 0.00 H new ATOM 1288 N GLY B 42 7.653 9.125 8.077 1.00 0.00 N ATOM 1289 CA GLY B 42 9.028 9.082 7.628 1.00 0.00 C ATOM 1290 C GLY B 42 9.727 7.761 7.925 1.00 0.00 C ATOM 1291 O GLY B 42 10.470 7.275 7.076 1.00 0.00 O ATOM 0 HA2 GLY B 42 9.056 9.265 6.554 1.00 0.00 H new ATOM 0 HA3 GLY B 42 9.582 9.891 8.104 1.00 0.00 H new ATOM 1295 N PRO B 43 9.557 7.174 9.135 1.00 0.00 N ATOM 1296 CA PRO B 43 10.096 5.840 9.459 1.00 0.00 C ATOM 1297 C PRO B 43 9.794 4.797 8.379 1.00 0.00 C ATOM 1298 O PRO B 43 8.848 4.937 7.603 1.00 0.00 O ATOM 1299 CB PRO B 43 9.371 5.488 10.755 1.00 0.00 C ATOM 1300 CG PRO B 43 9.143 6.797 11.416 1.00 0.00 C ATOM 1301 CD PRO B 43 8.882 7.777 10.306 1.00 0.00 C ATOM 0 HA PRO B 43 11.183 5.847 9.538 1.00 0.00 H new ATOM 0 HB2 PRO B 43 8.431 4.973 10.557 1.00 0.00 H new ATOM 0 HB3 PRO B 43 9.971 4.826 11.379 1.00 0.00 H new ATOM 0 HG2 PRO B 43 8.296 6.747 12.101 1.00 0.00 H new ATOM 0 HG3 PRO B 43 10.011 7.094 12.004 1.00 0.00 H new ATOM 0 HD2 PRO B 43 7.814 7.906 10.129 1.00 0.00 H new ATOM 0 HD3 PRO B 43 9.288 8.762 10.538 1.00 0.00 H new ATOM 1309 N ILE B 44 10.617 3.740 8.362 1.00 0.00 N ATOM 1310 CA ILE B 44 10.655 2.772 7.259 1.00 0.00 C ATOM 1311 C ILE B 44 9.291 2.161 6.950 1.00 0.00 C ATOM 1312 O ILE B 44 9.027 1.785 5.809 1.00 0.00 O ATOM 1313 CB ILE B 44 11.664 1.635 7.529 1.00 0.00 C ATOM 1314 CG1 ILE B 44 11.249 0.814 8.754 1.00 0.00 C ATOM 1315 CG2 ILE B 44 13.062 2.209 7.719 1.00 0.00 C ATOM 1316 CD1 ILE B 44 12.035 -0.468 8.920 1.00 0.00 C ATOM 0 H ILE B 44 11.275 3.532 9.113 1.00 0.00 H new ATOM 0 HA ILE B 44 10.975 3.346 6.389 1.00 0.00 H new ATOM 0 HB ILE B 44 11.672 0.970 6.666 1.00 0.00 H new ATOM 0 HG12 ILE B 44 11.373 1.424 9.649 1.00 0.00 H new ATOM 0 HG13 ILE B 44 10.189 0.573 8.677 1.00 0.00 H new ATOM 0 HG21 ILE B 44 13.765 1.398 7.909 1.00 0.00 H new ATOM 0 HG22 ILE B 44 13.361 2.745 6.818 1.00 0.00 H new ATOM 0 HG23 ILE B 44 13.062 2.895 8.566 1.00 0.00 H new ATOM 0 HD11 ILE B 44 11.686 -0.996 9.807 1.00 0.00 H new ATOM 0 HD12 ILE B 44 11.892 -1.099 8.043 1.00 0.00 H new ATOM 0 HD13 ILE B 44 13.094 -0.234 9.030 1.00 0.00 H new ATOM 1328 N ARG B 45 8.436 2.060 7.964 1.00 0.00 N ATOM 1329 CA ARG B 45 7.075 1.566 7.776 1.00 0.00 C ATOM 1330 C ARG B 45 6.327 2.452 6.789 1.00 0.00 C ATOM 1331 O ARG B 45 5.714 1.972 5.829 1.00 0.00 O ATOM 1332 CB ARG B 45 6.336 1.538 9.115 1.00 0.00 C ATOM 1333 CG ARG B 45 6.874 0.505 10.089 1.00 0.00 C ATOM 1334 CD ARG B 45 6.319 0.713 11.489 1.00 0.00 C ATOM 1335 NE ARG B 45 4.858 0.716 11.519 1.00 0.00 N ATOM 1336 CZ ARG B 45 4.136 0.695 12.639 1.00 0.00 C ATOM 1337 NH1 ARG B 45 4.738 0.669 13.823 1.00 0.00 N ATOM 1338 NH2 ARG B 45 2.812 0.712 12.572 1.00 0.00 N ATOM 0 H ARG B 45 8.662 2.314 8.926 1.00 0.00 H new ATOM 0 HA ARG B 45 7.122 0.553 7.376 1.00 0.00 H new ATOM 0 HB2 ARG B 45 6.398 2.524 9.575 1.00 0.00 H new ATOM 0 HB3 ARG B 45 5.280 1.337 8.933 1.00 0.00 H new ATOM 0 HG2 ARG B 45 6.616 -0.495 9.739 1.00 0.00 H new ATOM 0 HG3 ARG B 45 7.962 0.562 10.116 1.00 0.00 H new ATOM 0 HD2 ARG B 45 6.691 -0.075 12.144 1.00 0.00 H new ATOM 0 HD3 ARG B 45 6.689 1.658 11.886 1.00 0.00 H new ATOM 0 HE ARG B 45 4.361 0.735 10.629 1.00 0.00 H new ATOM 0 HH11 ARG B 45 5.757 0.665 13.877 1.00 0.00 H new ATOM 0 HH12 ARG B 45 4.182 0.653 14.678 1.00 0.00 H new ATOM 0 HH21 ARG B 45 2.348 0.741 11.664 1.00 0.00 H new ATOM 0 HH22 ARG B 45 2.258 0.696 13.428 1.00 0.00 H new ATOM 1352 N MET B 46 6.409 3.752 7.020 1.00 0.00 N ATOM 1353 CA MET B 46 5.753 4.721 6.166 1.00 0.00 C ATOM 1354 C MET B 46 6.428 4.774 4.810 1.00 0.00 C ATOM 1355 O MET B 46 5.776 5.015 3.810 1.00 0.00 O ATOM 1356 CB MET B 46 5.745 6.113 6.808 1.00 0.00 C ATOM 1357 CG MET B 46 4.939 6.181 8.093 1.00 0.00 C ATOM 1358 SD MET B 46 5.771 5.401 9.488 1.00 0.00 S ATOM 1359 CE MET B 46 4.505 5.561 10.741 1.00 0.00 C ATOM 0 H MET B 46 6.928 4.160 7.798 1.00 0.00 H new ATOM 0 HA MET B 46 4.719 4.403 6.034 1.00 0.00 H new ATOM 0 HB2 MET B 46 6.772 6.415 7.016 1.00 0.00 H new ATOM 0 HB3 MET B 46 5.339 6.831 6.095 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.738 7.225 8.334 1.00 0.00 H new ATOM 0 HG3 MET B 46 3.974 5.698 7.936 1.00 0.00 H new ATOM 0 HE1 MET B 46 4.860 5.125 11.675 1.00 0.00 H new ATOM 0 HE2 MET B 46 4.278 6.616 10.896 1.00 0.00 H new ATOM 0 HE3 MET B 46 3.604 5.040 10.417 1.00 0.00 H new ATOM 1369 N VAL B 47 7.731 4.526 4.778 1.00 0.00 N ATOM 1370 CA VAL B 47 8.480 4.549 3.526 1.00 0.00 C ATOM 1371 C VAL B 47 7.917 3.533 2.537 1.00 0.00 C ATOM 1372 O VAL B 47 7.697 3.849 1.368 1.00 0.00 O ATOM 1373 CB VAL B 47 9.978 4.270 3.759 1.00 0.00 C ATOM 1374 CG1 VAL B 47 10.750 4.303 2.447 1.00 0.00 C ATOM 1375 CG2 VAL B 47 10.550 5.279 4.737 1.00 0.00 C ATOM 0 H VAL B 47 8.291 4.307 5.602 1.00 0.00 H new ATOM 0 HA VAL B 47 8.376 5.550 3.107 1.00 0.00 H new ATOM 0 HB VAL B 47 10.079 3.271 4.183 1.00 0.00 H new ATOM 0 HG11 VAL B 47 11.804 4.103 2.640 1.00 0.00 H new ATOM 0 HG12 VAL B 47 10.354 3.544 1.773 1.00 0.00 H new ATOM 0 HG13 VAL B 47 10.645 5.286 1.988 1.00 0.00 H new ATOM 0 HG21 VAL B 47 11.609 5.073 4.895 1.00 0.00 H new ATOM 0 HG22 VAL B 47 10.432 6.284 4.333 1.00 0.00 H new ATOM 0 HG23 VAL B 47 10.021 5.205 5.687 1.00 0.00 H new ATOM 1385 N LEU B 48 7.665 2.321 3.015 1.00 0.00 N ATOM 1386 CA LEU B 48 7.090 1.277 2.173 1.00 0.00 C ATOM 1387 C LEU B 48 5.651 1.618 1.793 1.00 0.00 C ATOM 1388 O LEU B 48 5.214 1.340 0.675 1.00 0.00 O ATOM 1389 CB LEU B 48 7.150 -0.089 2.871 1.00 0.00 C ATOM 1390 CG LEU B 48 8.467 -0.861 2.705 1.00 0.00 C ATOM 1391 CD1 LEU B 48 9.638 -0.089 3.291 1.00 0.00 C ATOM 1392 CD2 LEU B 48 8.363 -2.232 3.353 1.00 0.00 C ATOM 0 H LEU B 48 7.848 2.036 3.977 1.00 0.00 H new ATOM 0 HA LEU B 48 7.684 1.220 1.261 1.00 0.00 H new ATOM 0 HB2 LEU B 48 6.968 0.059 3.935 1.00 0.00 H new ATOM 0 HB3 LEU B 48 6.337 -0.707 2.491 1.00 0.00 H new ATOM 0 HG LEU B 48 8.648 -0.987 1.637 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.555 -0.662 3.157 1.00 0.00 H new ATOM 0 HD12 LEU B 48 9.732 0.870 2.782 1.00 0.00 H new ATOM 0 HD13 LEU B 48 9.467 0.080 4.354 1.00 0.00 H new ATOM 0 HD21 LEU B 48 9.304 -2.767 3.227 1.00 0.00 H new ATOM 0 HD22 LEU B 48 8.151 -2.117 4.416 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.559 -2.797 2.882 1.00 0.00 H new ATOM 1404 N ALA B 49 4.923 2.230 2.722 1.00 0.00 N ATOM 1405 CA ALA B 49 3.552 2.657 2.458 1.00 0.00 C ATOM 1406 C ALA B 49 3.510 3.761 1.401 1.00 0.00 C ATOM 1407 O ALA B 49 2.723 3.699 0.455 1.00 0.00 O ATOM 1408 CB ALA B 49 2.890 3.128 3.741 1.00 0.00 C ATOM 0 H ALA B 49 5.258 2.441 3.662 1.00 0.00 H new ATOM 0 HA ALA B 49 3.001 1.800 2.071 1.00 0.00 H new ATOM 0 HB1 ALA B 49 1.868 3.443 3.529 1.00 0.00 H new ATOM 0 HB2 ALA B 49 2.875 2.312 4.464 1.00 0.00 H new ATOM 0 HB3 ALA B 49 3.451 3.967 4.153 1.00 0.00 H new ATOM 1414 N ILE B 50 4.367 4.763 1.567 1.00 0.00 N ATOM 1415 CA ILE B 50 4.454 5.869 0.621 1.00 0.00 C ATOM 1416 C ILE B 50 4.976 5.368 -0.719 1.00 0.00 C ATOM 1417 O ILE B 50 4.599 5.875 -1.775 1.00 0.00 O ATOM 1418 CB ILE B 50 5.377 6.996 1.142 1.00 0.00 C ATOM 1419 CG1 ILE B 50 4.927 7.464 2.529 1.00 0.00 C ATOM 1420 CG2 ILE B 50 5.389 8.170 0.169 1.00 0.00 C ATOM 1421 CD1 ILE B 50 5.864 8.465 3.162 1.00 0.00 C ATOM 0 H ILE B 50 5.014 4.831 2.352 1.00 0.00 H new ATOM 0 HA ILE B 50 3.451 6.278 0.501 1.00 0.00 H new ATOM 0 HB ILE B 50 6.389 6.598 1.221 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.935 7.908 2.449 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.837 6.598 3.184 1.00 0.00 H new ATOM 0 HG21 ILE B 50 6.043 8.953 0.552 1.00 0.00 H new ATOM 0 HG22 ILE B 50 5.754 7.834 -0.802 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.378 8.563 0.060 1.00 0.00 H new ATOM 0 HD11 ILE B 50 5.482 8.752 4.142 1.00 0.00 H new ATOM 0 HD12 ILE B 50 6.852 8.018 3.274 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.935 9.349 2.528 1.00 0.00 H new ATOM 1433 N LEU B 51 5.846 4.368 -0.668 1.00 0.00 N ATOM 1434 CA LEU B 51 6.336 3.722 -1.874 1.00 0.00 C ATOM 1435 C LEU B 51 5.167 3.169 -2.675 1.00 0.00 C ATOM 1436 O LEU B 51 4.993 3.508 -3.842 1.00 0.00 O ATOM 1437 CB LEU B 51 7.295 2.584 -1.529 1.00 0.00 C ATOM 1438 CG LEU B 51 7.947 1.909 -2.733 1.00 0.00 C ATOM 1439 CD1 LEU B 51 9.180 2.681 -3.178 1.00 0.00 C ATOM 1440 CD2 LEU B 51 8.289 0.465 -2.411 1.00 0.00 C ATOM 0 H LEU B 51 6.226 3.987 0.199 1.00 0.00 H new ATOM 0 HA LEU B 51 6.871 4.465 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU B 51 8.079 2.973 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU B 51 6.752 1.831 -0.958 1.00 0.00 H new ATOM 0 HG LEU B 51 7.237 1.911 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU B 51 9.630 2.184 -4.037 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.894 3.696 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU B 51 9.901 2.718 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU B 51 8.753 -0.002 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU B 51 8.981 0.434 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU B 51 7.379 -0.075 -2.152 1.00 0.00 H new ATOM 1452 N ALA B 52 4.362 2.327 -2.026 1.00 0.00 N ATOM 1453 CA ALA B 52 3.187 1.737 -2.657 1.00 0.00 C ATOM 1454 C ALA B 52 2.270 2.825 -3.198 1.00 0.00 C ATOM 1455 O ALA B 52 1.751 2.721 -4.311 1.00 0.00 O ATOM 1456 CB ALA B 52 2.442 0.856 -1.666 1.00 0.00 C ATOM 0 H ALA B 52 4.506 2.039 -1.058 1.00 0.00 H new ATOM 0 HA ALA B 52 3.515 1.118 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA B 52 1.567 0.422 -2.151 1.00 0.00 H new ATOM 0 HB2 ALA B 52 3.100 0.058 -1.323 1.00 0.00 H new ATOM 0 HB3 ALA B 52 2.124 1.456 -0.813 1.00 0.00 H new ATOM 1462 N PHE B 53 2.093 3.872 -2.403 1.00 0.00 N ATOM 1463 CA PHE B 53 1.349 5.051 -2.821 1.00 0.00 C ATOM 1464 C PHE B 53 1.909 5.584 -4.141 1.00 0.00 C ATOM 1465 O PHE B 53 1.198 5.679 -5.132 1.00 0.00 O ATOM 1466 CB PHE B 53 1.434 6.121 -1.723 1.00 0.00 C ATOM 1467 CG PHE B 53 0.766 7.430 -2.053 1.00 0.00 C ATOM 1468 CD1 PHE B 53 -0.579 7.629 -1.781 1.00 0.00 C ATOM 1469 CD2 PHE B 53 1.492 8.472 -2.609 1.00 0.00 C ATOM 1470 CE1 PHE B 53 -1.185 8.838 -2.065 1.00 0.00 C ATOM 1471 CE2 PHE B 53 0.889 9.680 -2.898 1.00 0.00 C ATOM 1472 CZ PHE B 53 -0.450 9.865 -2.624 1.00 0.00 C ATOM 0 H PHE B 53 2.460 3.927 -1.453 1.00 0.00 H new ATOM 0 HA PHE B 53 0.303 4.787 -2.977 1.00 0.00 H new ATOM 0 HB2 PHE B 53 0.986 5.722 -0.813 1.00 0.00 H new ATOM 0 HB3 PHE B 53 2.485 6.312 -1.504 1.00 0.00 H new ATOM 0 HD1 PHE B 53 -1.159 6.831 -1.342 1.00 0.00 H new ATOM 0 HD2 PHE B 53 2.543 8.337 -2.819 1.00 0.00 H new ATOM 0 HE1 PHE B 53 -2.234 8.980 -1.850 1.00 0.00 H new ATOM 0 HE2 PHE B 53 1.466 10.480 -3.339 1.00 0.00 H new ATOM 0 HZ PHE B 53 -0.922 10.810 -2.846 1.00 0.00 H new ATOM 1482 N LEU B 54 3.197 5.877 -4.156 1.00 0.00 N ATOM 1483 CA LEU B 54 3.851 6.458 -5.328 1.00 0.00 C ATOM 1484 C LEU B 54 4.032 5.442 -6.461 1.00 0.00 C ATOM 1485 O LEU B 54 4.528 5.786 -7.531 1.00 0.00 O ATOM 1486 CB LEU B 54 5.208 7.046 -4.934 1.00 0.00 C ATOM 1487 CG LEU B 54 5.149 8.219 -3.950 1.00 0.00 C ATOM 1488 CD1 LEU B 54 6.546 8.617 -3.503 1.00 0.00 C ATOM 1489 CD2 LEU B 54 4.437 9.409 -4.579 1.00 0.00 C ATOM 0 H LEU B 54 3.821 5.722 -3.364 1.00 0.00 H new ATOM 0 HA LEU B 54 3.199 7.248 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU B 54 5.816 6.254 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU B 54 5.719 7.376 -5.838 1.00 0.00 H new ATOM 0 HG LEU B 54 4.585 7.899 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU B 54 6.481 9.452 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU B 54 7.026 7.770 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU B 54 7.135 8.915 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU B 54 4.405 10.232 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU B 54 4.975 9.724 -5.473 1.00 0.00 H new ATOM 0 HD23 LEU B 54 3.421 9.123 -4.850 1.00 0.00 H new ATOM 1501 N ARG B 55 3.652 4.194 -6.225 1.00 0.00 N ATOM 1502 CA ARG B 55 3.693 3.182 -7.275 1.00 0.00 C ATOM 1503 C ARG B 55 2.335 3.037 -7.944 1.00 0.00 C ATOM 1504 O ARG B 55 2.248 2.801 -9.148 1.00 0.00 O ATOM 1505 CB ARG B 55 4.122 1.824 -6.718 1.00 0.00 C ATOM 1506 CG ARG B 55 5.526 1.808 -6.151 1.00 0.00 C ATOM 1507 CD ARG B 55 6.584 2.014 -7.226 1.00 0.00 C ATOM 1508 NE ARG B 55 7.937 1.919 -6.675 1.00 0.00 N ATOM 1509 CZ ARG B 55 9.048 1.873 -7.413 1.00 0.00 C ATOM 1510 NH1 ARG B 55 8.979 1.924 -8.737 1.00 0.00 N ATOM 1511 NH2 ARG B 55 10.232 1.774 -6.821 1.00 0.00 N ATOM 0 H ARG B 55 3.314 3.858 -5.323 1.00 0.00 H new ATOM 0 HA ARG B 55 4.425 3.513 -8.011 1.00 0.00 H new ATOM 0 HB2 ARG B 55 3.422 1.525 -5.937 1.00 0.00 H new ATOM 0 HB3 ARG B 55 4.052 1.079 -7.511 1.00 0.00 H new ATOM 0 HG2 ARG B 55 5.620 2.589 -5.397 1.00 0.00 H new ATOM 0 HG3 ARG B 55 5.702 0.857 -5.648 1.00 0.00 H new ATOM 0 HD2 ARG B 55 6.457 1.268 -8.010 1.00 0.00 H new ATOM 0 HD3 ARG B 55 6.447 2.991 -7.690 1.00 0.00 H new ATOM 0 HE ARG B 55 8.037 1.886 -5.660 1.00 0.00 H new ATOM 0 HH11 ARG B 55 8.072 1.999 -9.198 1.00 0.00 H new ATOM 0 HH12 ARG B 55 9.833 1.888 -9.294 1.00 0.00 H new ATOM 0 HH21 ARG B 55 10.292 1.733 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG B 55 11.082 1.739 -7.384 1.00 0.00 H new ATOM 1525 N PHE B 56 1.275 3.167 -7.161 1.00 0.00 N ATOM 1526 CA PHE B 56 -0.070 2.956 -7.676 1.00 0.00 C ATOM 1527 C PHE B 56 -0.807 4.270 -7.898 1.00 0.00 C ATOM 1528 O PHE B 56 -1.845 4.299 -8.559 1.00 0.00 O ATOM 1529 CB PHE B 56 -0.862 2.043 -6.740 1.00 0.00 C ATOM 1530 CG PHE B 56 -0.374 0.620 -6.749 1.00 0.00 C ATOM 1531 CD1 PHE B 56 0.658 0.218 -5.915 1.00 0.00 C ATOM 1532 CD2 PHE B 56 -0.942 -0.313 -7.602 1.00 0.00 C ATOM 1533 CE1 PHE B 56 1.114 -1.086 -5.933 1.00 0.00 C ATOM 1534 CE2 PHE B 56 -0.491 -1.618 -7.622 1.00 0.00 C ATOM 1535 CZ PHE B 56 0.538 -2.005 -6.788 1.00 0.00 C ATOM 0 H PHE B 56 1.318 3.416 -6.173 1.00 0.00 H new ATOM 0 HA PHE B 56 0.022 2.470 -8.647 1.00 0.00 H new ATOM 0 HB2 PHE B 56 -0.802 2.435 -5.724 1.00 0.00 H new ATOM 0 HB3 PHE B 56 -1.913 2.062 -7.028 1.00 0.00 H new ATOM 0 HD1 PHE B 56 1.111 0.933 -5.243 1.00 0.00 H new ATOM 0 HD2 PHE B 56 -1.746 -0.016 -8.259 1.00 0.00 H new ATOM 0 HE1 PHE B 56 1.920 -1.386 -5.279 1.00 0.00 H new ATOM 0 HE2 PHE B 56 -0.944 -2.336 -8.290 1.00 0.00 H new ATOM 0 HZ PHE B 56 0.892 -3.025 -6.804 1.00 0.00 H new ATOM 1545 N THR B 57 -0.278 5.356 -7.351 1.00 0.00 N ATOM 1546 CA THR B 57 -0.864 6.672 -7.585 1.00 0.00 C ATOM 1547 C THR B 57 0.053 7.502 -8.473 1.00 0.00 C ATOM 1548 O THR B 57 -0.299 8.598 -8.899 1.00 0.00 O ATOM 1549 CB THR B 57 -1.133 7.447 -6.272 1.00 0.00 C ATOM 1550 OG1 THR B 57 0.091 7.945 -5.725 1.00 0.00 O ATOM 1551 CG2 THR B 57 -1.808 6.558 -5.240 1.00 0.00 C ATOM 0 H THR B 57 0.546 5.355 -6.749 1.00 0.00 H new ATOM 0 HA THR B 57 -1.823 6.506 -8.076 1.00 0.00 H new ATOM 0 HB THR B 57 -1.794 8.279 -6.513 1.00 0.00 H new ATOM 0 HG1 THR B 57 0.788 7.261 -5.808 1.00 0.00 H new ATOM 0 HG21 THR B 57 -1.985 7.129 -4.328 1.00 0.00 H new ATOM 0 HG22 THR B 57 -2.759 6.200 -5.634 1.00 0.00 H new ATOM 0 HG23 THR B 57 -1.165 5.707 -5.016 1.00 0.00 H new ATOM 1559 N ALA B 58 1.224 6.954 -8.754 1.00 0.00 N ATOM 1560 CA ALA B 58 2.230 7.631 -9.555 1.00 0.00 C ATOM 1561 C ALA B 58 3.019 6.602 -10.352 1.00 0.00 C ATOM 1562 O ALA B 58 2.701 5.414 -10.316 1.00 0.00 O ATOM 1563 CB ALA B 58 3.154 8.446 -8.660 1.00 0.00 C ATOM 0 H ALA B 58 1.504 6.027 -8.433 1.00 0.00 H new ATOM 0 HA ALA B 58 1.742 8.315 -10.249 1.00 0.00 H new ATOM 0 HB1 ALA B 58 3.903 8.948 -9.272 1.00 0.00 H new ATOM 0 HB2 ALA B 58 2.571 9.190 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.650 7.784 -7.950 1.00 0.00 H new ATOM 1569 N ILE B 59 4.025 7.058 -11.086 1.00 0.00 N ATOM 1570 CA ILE B 59 4.853 6.159 -11.884 1.00 0.00 C ATOM 1571 C ILE B 59 6.304 6.216 -11.434 1.00 0.00 C ATOM 1572 O ILE B 59 7.088 5.285 -11.642 1.00 0.00 O ATOM 1573 CB ILE B 59 4.749 6.491 -13.395 1.00 0.00 C ATOM 1574 CG1 ILE B 59 3.308 6.313 -13.886 1.00 0.00 C ATOM 1575 CG2 ILE B 59 5.696 5.629 -14.217 1.00 0.00 C ATOM 1576 CD1 ILE B 59 2.781 4.899 -13.743 1.00 0.00 C ATOM 0 H ILE B 59 4.288 8.042 -11.147 1.00 0.00 H new ATOM 0 HA ILE B 59 4.479 5.147 -11.730 1.00 0.00 H new ATOM 0 HB ILE B 59 5.040 7.533 -13.527 1.00 0.00 H new ATOM 0 HG12 ILE B 59 2.659 6.990 -13.331 1.00 0.00 H new ATOM 0 HG13 ILE B 59 3.253 6.607 -14.934 1.00 0.00 H new ATOM 0 HG21 ILE B 59 5.599 5.886 -15.272 1.00 0.00 H new ATOM 0 HG22 ILE B 59 6.722 5.805 -13.893 1.00 0.00 H new ATOM 0 HG23 ILE B 59 5.446 4.577 -14.075 1.00 0.00 H new ATOM 0 HD11 ILE B 59 1.756 4.854 -14.112 1.00 0.00 H new ATOM 0 HD12 ILE B 59 3.405 4.218 -14.321 1.00 0.00 H new ATOM 0 HD13 ILE B 59 2.802 4.607 -12.693 1.00 0.00 H new ATOM 1588 N LYS B 60 6.640 7.299 -10.786 1.00 0.00 N ATOM 1589 CA LYS B 60 7.997 7.520 -10.317 1.00 0.00 C ATOM 1590 C LYS B 60 7.995 8.087 -8.902 1.00 0.00 C ATOM 1591 O LYS B 60 7.613 9.240 -8.685 1.00 0.00 O ATOM 1592 CB LYS B 60 8.741 8.471 -11.258 1.00 0.00 C ATOM 1593 CG LYS B 60 10.230 8.579 -10.963 1.00 0.00 C ATOM 1594 CD LYS B 60 10.929 7.242 -11.149 1.00 0.00 C ATOM 1595 CE LYS B 60 12.424 7.344 -10.897 1.00 0.00 C ATOM 1596 NZ LYS B 60 13.116 6.053 -11.159 1.00 0.00 N ATOM 0 H LYS B 60 5.991 8.054 -10.565 1.00 0.00 H new ATOM 0 HA LYS B 60 8.511 6.559 -10.306 1.00 0.00 H new ATOM 0 HB2 LYS B 60 8.606 8.132 -12.285 1.00 0.00 H new ATOM 0 HB3 LYS B 60 8.293 9.462 -11.188 1.00 0.00 H new ATOM 0 HG2 LYS B 60 10.680 9.322 -11.622 1.00 0.00 H new ATOM 0 HG3 LYS B 60 10.376 8.929 -9.941 1.00 0.00 H new ATOM 0 HD2 LYS B 60 10.496 6.508 -10.469 1.00 0.00 H new ATOM 0 HD3 LYS B 60 10.756 6.880 -12.162 1.00 0.00 H new ATOM 0 HE2 LYS B 60 12.848 8.120 -11.534 1.00 0.00 H new ATOM 0 HE3 LYS B 60 12.599 7.648 -9.865 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 14.134 6.162 -10.976 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 12.728 5.318 -10.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 12.970 5.776 -12.151 1.00 0.00 H new ATOM 1610 N PRO B 61 8.402 7.272 -7.919 1.00 0.00 N ATOM 1611 CA PRO B 61 8.533 7.709 -6.529 1.00 0.00 C ATOM 1612 C PRO B 61 9.676 8.701 -6.353 1.00 0.00 C ATOM 1613 O PRO B 61 10.685 8.635 -7.058 1.00 0.00 O ATOM 1614 CB PRO B 61 8.833 6.416 -5.757 1.00 0.00 C ATOM 1615 CG PRO B 61 8.518 5.306 -6.701 1.00 0.00 C ATOM 1616 CD PRO B 61 8.753 5.855 -8.076 1.00 0.00 C ATOM 0 HA PRO B 61 7.636 8.222 -6.181 1.00 0.00 H new ATOM 0 HB2 PRO B 61 9.876 6.380 -5.443 1.00 0.00 H new ATOM 0 HB3 PRO B 61 8.226 6.348 -4.855 1.00 0.00 H new ATOM 0 HG2 PRO B 61 9.154 4.441 -6.512 1.00 0.00 H new ATOM 0 HG3 PRO B 61 7.486 4.975 -6.584 1.00 0.00 H new ATOM 0 HD2 PRO B 61 9.788 5.726 -8.392 1.00 0.00 H new ATOM 0 HD3 PRO B 61 8.128 5.363 -8.821 1.00 0.00 H new ATOM 1624 N SER B 62 9.505 9.621 -5.415 1.00 0.00 N ATOM 1625 CA SER B 62 10.512 10.627 -5.132 1.00 0.00 C ATOM 1626 C SER B 62 11.771 9.977 -4.565 1.00 0.00 C ATOM 1627 O SER B 62 11.699 9.030 -3.773 1.00 0.00 O ATOM 1628 CB SER B 62 9.945 11.645 -4.147 1.00 0.00 C ATOM 1629 OG SER B 62 8.646 12.061 -4.543 1.00 0.00 O ATOM 0 H SER B 62 8.670 9.689 -4.834 1.00 0.00 H new ATOM 0 HA SER B 62 10.783 11.136 -6.057 1.00 0.00 H new ATOM 0 HB2 SER B 62 9.903 11.208 -3.149 1.00 0.00 H new ATOM 0 HB3 SER B 62 10.607 12.509 -4.089 1.00 0.00 H new ATOM 0 HG SER B 62 8.300 12.712 -3.897 1.00 0.00 H new ATOM 1635 N LEU B 63 12.922 10.504 -4.974 1.00 0.00 N ATOM 1636 CA LEU B 63 14.216 9.920 -4.640 1.00 0.00 C ATOM 1637 C LEU B 63 14.485 9.934 -3.141 1.00 0.00 C ATOM 1638 O LEU B 63 15.347 9.200 -2.664 1.00 0.00 O ATOM 1639 CB LEU B 63 15.337 10.652 -5.379 1.00 0.00 C ATOM 1640 CG LEU B 63 15.301 10.524 -6.903 1.00 0.00 C ATOM 1641 CD1 LEU B 63 16.420 11.339 -7.530 1.00 0.00 C ATOM 1642 CD2 LEU B 63 15.409 9.064 -7.319 1.00 0.00 C ATOM 0 H LEU B 63 12.983 11.347 -5.545 1.00 0.00 H new ATOM 0 HA LEU B 63 14.190 8.878 -4.959 1.00 0.00 H new ATOM 0 HB2 LEU B 63 15.294 11.709 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU B 63 16.295 10.274 -5.021 1.00 0.00 H new ATOM 0 HG LEU B 63 14.347 10.914 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU B 63 16.381 11.237 -8.615 1.00 0.00 H new ATOM 0 HD12 LEU B 63 16.302 12.388 -7.259 1.00 0.00 H new ATOM 0 HD13 LEU B 63 17.382 10.977 -7.166 1.00 0.00 H new ATOM 0 HD21 LEU B 63 15.382 8.993 -8.406 1.00 0.00 H new ATOM 0 HD22 LEU B 63 16.348 8.649 -6.952 1.00 0.00 H new ATOM 0 HD23 LEU B 63 14.575 8.503 -6.897 1.00 0.00 H new ATOM 1654 N GLY B 64 13.765 10.772 -2.405 1.00 0.00 N ATOM 1655 CA GLY B 64 13.871 10.760 -0.957 1.00 0.00 C ATOM 1656 C GLY B 64 13.410 9.438 -0.379 1.00 0.00 C ATOM 1657 O GLY B 64 14.109 8.818 0.432 1.00 0.00 O ATOM 0 H GLY B 64 13.111 11.458 -2.783 1.00 0.00 H new ATOM 0 HA2 GLY B 64 14.905 10.946 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY B 64 13.272 11.570 -0.540 1.00 0.00 H new ATOM 1661 N LEU B 65 12.242 8.988 -0.826 1.00 0.00 N ATOM 1662 CA LEU B 65 11.697 7.712 -0.391 1.00 0.00 C ATOM 1663 C LEU B 65 12.585 6.578 -0.874 1.00 0.00 C ATOM 1664 O LEU B 65 12.840 5.632 -0.143 1.00 0.00 O ATOM 1665 CB LEU B 65 10.266 7.505 -0.912 1.00 0.00 C ATOM 1666 CG LEU B 65 9.178 8.389 -0.284 1.00 0.00 C ATOM 1667 CD1 LEU B 65 9.238 8.328 1.235 1.00 0.00 C ATOM 1668 CD2 LEU B 65 9.283 9.827 -0.772 1.00 0.00 C ATOM 0 H LEU B 65 11.655 9.492 -1.491 1.00 0.00 H new ATOM 0 HA LEU B 65 11.665 7.716 0.699 1.00 0.00 H new ATOM 0 HB2 LEU B 65 10.266 7.675 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU B 65 9.992 6.462 -0.754 1.00 0.00 H new ATOM 0 HG LEU B 65 8.211 7.999 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU B 65 8.458 8.962 1.656 1.00 0.00 H new ATOM 0 HD12 LEU B 65 9.087 7.300 1.564 1.00 0.00 H new ATOM 0 HD13 LEU B 65 10.213 8.678 1.575 1.00 0.00 H new ATOM 0 HD21 LEU B 65 8.499 10.426 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU B 65 10.258 10.233 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU B 65 9.167 9.853 -1.856 1.00 0.00 H new ATOM 1680 N ILE B 66 13.067 6.699 -2.105 1.00 0.00 N ATOM 1681 CA ILE B 66 13.945 5.691 -2.695 1.00 0.00 C ATOM 1682 C ILE B 66 15.265 5.601 -1.928 1.00 0.00 C ATOM 1683 O ILE B 66 15.816 4.515 -1.735 1.00 0.00 O ATOM 1684 CB ILE B 66 14.228 6.009 -4.179 1.00 0.00 C ATOM 1685 CG1 ILE B 66 12.918 6.066 -4.967 1.00 0.00 C ATOM 1686 CG2 ILE B 66 15.174 4.981 -4.788 1.00 0.00 C ATOM 1687 CD1 ILE B 66 12.156 4.755 -4.989 1.00 0.00 C ATOM 0 H ILE B 66 12.864 7.489 -2.718 1.00 0.00 H new ATOM 0 HA ILE B 66 13.434 4.731 -2.631 1.00 0.00 H new ATOM 0 HB ILE B 66 14.712 6.984 -4.233 1.00 0.00 H new ATOM 0 HG12 ILE B 66 12.280 6.838 -4.537 1.00 0.00 H new ATOM 0 HG13 ILE B 66 13.135 6.366 -5.992 1.00 0.00 H new ATOM 0 HG21 ILE B 66 15.356 5.229 -5.834 1.00 0.00 H new ATOM 0 HG22 ILE B 66 16.118 4.988 -4.243 1.00 0.00 H new ATOM 0 HG23 ILE B 66 14.725 3.990 -4.723 1.00 0.00 H new ATOM 0 HD11 ILE B 66 11.240 4.876 -5.567 1.00 0.00 H new ATOM 0 HD12 ILE B 66 12.774 3.983 -5.447 1.00 0.00 H new ATOM 0 HD13 ILE B 66 11.906 4.462 -3.969 1.00 0.00 H new ATOM 1699 N ASN B 67 15.755 6.751 -1.482 1.00 0.00 N ATOM 1700 CA ASN B 67 16.991 6.823 -0.711 1.00 0.00 C ATOM 1701 C ASN B 67 16.860 6.043 0.591 1.00 0.00 C ATOM 1702 O ASN B 67 17.765 5.303 0.980 1.00 0.00 O ATOM 1703 CB ASN B 67 17.332 8.286 -0.409 1.00 0.00 C ATOM 1704 CG ASN B 67 18.631 8.464 0.359 1.00 0.00 C ATOM 1705 OD1 ASN B 67 19.613 7.617 0.095 1.00 0.00 O flip ATOM 1706 ND2 ASN B 67 18.757 9.379 1.171 1.00 0.00 N flip ATOM 0 H ASN B 67 15.311 7.655 -1.643 1.00 0.00 H new ATOM 0 HA ASN B 67 17.793 6.379 -1.301 1.00 0.00 H new ATOM 0 HB2 ASN B 67 17.397 8.836 -1.348 1.00 0.00 H new ATOM 0 HB3 ASN B 67 16.518 8.729 0.164 1.00 0.00 H new ATOM 0 HD21 ASN B 67 17.978 10.013 1.349 1.00 0.00 H new ATOM 0 HD22 ASN B 67 19.640 9.504 1.666 1.00 0.00 H new ATOM 1713 N ARG B 68 15.722 6.196 1.253 1.00 0.00 N ATOM 1714 CA ARG B 68 15.493 5.520 2.523 1.00 0.00 C ATOM 1715 C ARG B 68 15.002 4.092 2.287 1.00 0.00 C ATOM 1716 O ARG B 68 15.151 3.223 3.142 1.00 0.00 O ATOM 1717 CB ARG B 68 14.491 6.310 3.366 1.00 0.00 C ATOM 1718 CG ARG B 68 14.383 5.831 4.803 1.00 0.00 C ATOM 1719 CD ARG B 68 13.614 6.824 5.655 1.00 0.00 C ATOM 1720 NE ARG B 68 14.243 8.144 5.649 1.00 0.00 N ATOM 1721 CZ ARG B 68 13.686 9.239 6.164 1.00 0.00 C ATOM 1722 NH1 ARG B 68 12.495 9.177 6.741 1.00 0.00 N ATOM 1723 NH2 ARG B 68 14.323 10.400 6.096 1.00 0.00 N ATOM 0 H ARG B 68 14.947 6.778 0.935 1.00 0.00 H new ATOM 0 HA ARG B 68 16.435 5.467 3.069 1.00 0.00 H new ATOM 0 HB2 ARG B 68 14.779 7.361 3.364 1.00 0.00 H new ATOM 0 HB3 ARG B 68 13.509 6.248 2.898 1.00 0.00 H new ATOM 0 HG2 ARG B 68 13.885 4.862 4.830 1.00 0.00 H new ATOM 0 HG3 ARG B 68 15.381 5.688 5.218 1.00 0.00 H new ATOM 0 HD2 ARG B 68 12.592 6.906 5.285 1.00 0.00 H new ATOM 0 HD3 ARG B 68 13.553 6.455 6.679 1.00 0.00 H new ATOM 0 HE ARG B 68 15.166 8.232 5.224 1.00 0.00 H new ATOM 0 HH11 ARG B 68 11.999 8.287 6.793 1.00 0.00 H new ATOM 0 HH12 ARG B 68 12.074 10.019 7.133 1.00 0.00 H new ATOM 0 HH21 ARG B 68 15.239 10.454 5.650 1.00 0.00 H new ATOM 0 HH22 ARG B 68 13.897 11.239 6.490 1.00 0.00 H new ATOM 1737 N TRP B 69 14.441 3.870 1.109 1.00 0.00 N ATOM 1738 CA TRP B 69 13.947 2.562 0.687 1.00 0.00 C ATOM 1739 C TRP B 69 15.055 1.517 0.769 1.00 0.00 C ATOM 1740 O TRP B 69 14.897 0.475 1.400 1.00 0.00 O ATOM 1741 CB TRP B 69 13.432 2.685 -0.746 1.00 0.00 C ATOM 1742 CG TRP B 69 12.696 1.497 -1.279 1.00 0.00 C ATOM 1743 CD1 TRP B 69 11.672 0.818 -0.690 1.00 0.00 C ATOM 1744 CD2 TRP B 69 12.910 0.877 -2.546 1.00 0.00 C ATOM 1745 NE1 TRP B 69 11.229 -0.180 -1.524 1.00 0.00 N ATOM 1746 CE2 TRP B 69 11.977 -0.163 -2.672 1.00 0.00 C ATOM 1747 CE3 TRP B 69 13.804 1.108 -3.586 1.00 0.00 C ATOM 1748 CZ2 TRP B 69 11.910 -0.968 -3.803 1.00 0.00 C ATOM 1749 CZ3 TRP B 69 13.742 0.310 -4.709 1.00 0.00 C ATOM 1750 CH2 TRP B 69 12.797 -0.716 -4.811 1.00 0.00 C ATOM 0 H TRP B 69 14.313 4.600 0.408 1.00 0.00 H new ATOM 0 HA TRP B 69 13.141 2.240 1.346 1.00 0.00 H new ATOM 0 HB2 TRP B 69 12.773 3.552 -0.802 1.00 0.00 H new ATOM 0 HB3 TRP B 69 14.280 2.887 -1.400 1.00 0.00 H new ATOM 0 HD1 TRP B 69 11.268 1.033 0.288 1.00 0.00 H new ATOM 0 HE1 TRP B 69 10.468 -0.828 -1.322 1.00 0.00 H new ATOM 0 HE3 TRP B 69 14.535 1.900 -3.515 1.00 0.00 H new ATOM 0 HZ2 TRP B 69 11.184 -1.763 -3.882 1.00 0.00 H new ATOM 0 HZ3 TRP B 69 14.433 0.480 -5.521 1.00 0.00 H new ATOM 0 HH2 TRP B 69 12.768 -1.321 -5.705 1.00 0.00 H new ATOM 1761 N GLY B 70 16.194 1.826 0.159 1.00 0.00 N ATOM 1762 CA GLY B 70 17.324 0.915 0.184 1.00 0.00 C ATOM 1763 C GLY B 70 18.038 0.914 1.524 1.00 0.00 C ATOM 1764 O GLY B 70 19.027 0.203 1.710 1.00 0.00 O ATOM 0 H GLY B 70 16.355 2.693 -0.354 1.00 0.00 H new ATOM 0 HA2 GLY B 70 16.979 -0.094 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY B 70 18.029 1.193 -0.600 1.00 0.00 H new ATOM 1768 N SER B 71 17.543 1.719 2.453 1.00 0.00 N ATOM 1769 CA SER B 71 18.119 1.801 3.784 1.00 0.00 C ATOM 1770 C SER B 71 17.288 0.983 4.771 1.00 0.00 C ATOM 1771 O SER B 71 17.743 0.686 5.876 1.00 0.00 O ATOM 1772 CB SER B 71 18.195 3.263 4.234 1.00 0.00 C ATOM 1773 OG SER B 71 18.864 3.393 5.480 1.00 0.00 O ATOM 0 H SER B 71 16.738 2.328 2.306 1.00 0.00 H new ATOM 0 HA SER B 71 19.128 1.390 3.757 1.00 0.00 H new ATOM 0 HB2 SER B 71 18.716 3.850 3.478 1.00 0.00 H new ATOM 0 HB3 SER B 71 17.188 3.671 4.317 1.00 0.00 H new ATOM 0 HG SER B 71 18.896 4.338 5.737 1.00 0.00 H new ATOM 1779 N VAL B 72 16.067 0.640 4.365 1.00 0.00 N ATOM 1780 CA VAL B 72 15.179 -0.176 5.182 1.00 0.00 C ATOM 1781 C VAL B 72 15.800 -1.544 5.447 1.00 0.00 C ATOM 1782 O VAL B 72 16.328 -2.183 4.532 1.00 0.00 O ATOM 1783 CB VAL B 72 13.805 -0.369 4.494 1.00 0.00 C ATOM 1784 CG1 VAL B 72 12.878 -1.220 5.351 1.00 0.00 C ATOM 1785 CG2 VAL B 72 13.161 0.974 4.187 1.00 0.00 C ATOM 0 H VAL B 72 15.670 0.918 3.468 1.00 0.00 H new ATOM 0 HA VAL B 72 15.032 0.348 6.126 1.00 0.00 H new ATOM 0 HB VAL B 72 13.975 -0.893 3.553 1.00 0.00 H new ATOM 0 HG11 VAL B 72 11.921 -1.339 4.844 1.00 0.00 H new ATOM 0 HG12 VAL B 72 13.328 -2.200 5.511 1.00 0.00 H new ATOM 0 HG13 VAL B 72 12.721 -0.731 6.312 1.00 0.00 H new ATOM 0 HG21 VAL B 72 12.197 0.813 3.704 1.00 0.00 H new ATOM 0 HG22 VAL B 72 13.014 1.528 5.114 1.00 0.00 H new ATOM 0 HG23 VAL B 72 13.809 1.545 3.522 1.00 0.00 H new ATOM 1795 N GLY B 73 15.756 -1.973 6.704 1.00 0.00 N ATOM 1796 CA GLY B 73 16.257 -3.279 7.061 1.00 0.00 C ATOM 1797 C GLY B 73 15.485 -4.374 6.366 1.00 0.00 C ATOM 1798 O GLY B 73 14.277 -4.500 6.553 1.00 0.00 O ATOM 0 H GLY B 73 15.379 -1.433 7.483 1.00 0.00 H new ATOM 0 HA2 GLY B 73 17.312 -3.351 6.796 1.00 0.00 H new ATOM 0 HA3 GLY B 73 16.190 -3.413 8.141 1.00 0.00 H new ATOM 1802 N LYS B 74 16.189 -5.161 5.566 1.00 0.00 N ATOM 1803 CA LYS B 74 15.576 -6.205 4.749 1.00 0.00 C ATOM 1804 C LYS B 74 14.806 -7.221 5.592 1.00 0.00 C ATOM 1805 O LYS B 74 13.877 -7.863 5.103 1.00 0.00 O ATOM 1806 CB LYS B 74 16.655 -6.894 3.917 1.00 0.00 C ATOM 1807 CG LYS B 74 17.867 -7.320 4.730 1.00 0.00 C ATOM 1808 CD LYS B 74 19.062 -7.605 3.840 1.00 0.00 C ATOM 1809 CE LYS B 74 18.824 -8.801 2.939 1.00 0.00 C ATOM 1810 NZ LYS B 74 18.660 -10.063 3.710 1.00 0.00 N ATOM 0 H LYS B 74 17.202 -5.096 5.463 1.00 0.00 H new ATOM 0 HA LYS B 74 14.848 -5.736 4.087 1.00 0.00 H new ATOM 0 HB2 LYS B 74 16.225 -7.771 3.433 1.00 0.00 H new ATOM 0 HB3 LYS B 74 16.978 -6.219 3.124 1.00 0.00 H new ATOM 0 HG2 LYS B 74 18.122 -6.536 5.443 1.00 0.00 H new ATOM 0 HG3 LYS B 74 17.623 -8.210 5.309 1.00 0.00 H new ATOM 0 HD2 LYS B 74 19.277 -6.728 3.230 1.00 0.00 H new ATOM 0 HD3 LYS B 74 19.941 -7.786 4.459 1.00 0.00 H new ATOM 0 HE2 LYS B 74 17.933 -8.628 2.336 1.00 0.00 H new ATOM 0 HE3 LYS B 74 19.661 -8.905 2.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 19.418 -10.727 3.454 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 18.710 -9.857 4.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 17.737 -10.488 3.488 1.00 0.00 H new ATOM 1824 N LYS B 75 15.189 -7.358 6.854 1.00 0.00 N ATOM 1825 CA LYS B 75 14.468 -8.217 7.783 1.00 0.00 C ATOM 1826 C LYS B 75 13.106 -7.617 8.110 1.00 0.00 C ATOM 1827 O LYS B 75 12.062 -8.238 7.883 1.00 0.00 O ATOM 1828 CB LYS B 75 15.281 -8.401 9.069 1.00 0.00 C ATOM 1829 CG LYS B 75 14.518 -9.082 10.198 1.00 0.00 C ATOM 1830 CD LYS B 75 14.019 -10.461 9.799 1.00 0.00 C ATOM 1831 CE LYS B 75 13.174 -11.079 10.899 1.00 0.00 C ATOM 1832 NZ LYS B 75 12.653 -12.418 10.521 1.00 0.00 N ATOM 0 H LYS B 75 15.997 -6.884 7.259 1.00 0.00 H new ATOM 0 HA LYS B 75 14.320 -9.190 7.315 1.00 0.00 H new ATOM 0 HB2 LYS B 75 16.171 -8.987 8.842 1.00 0.00 H new ATOM 0 HB3 LYS B 75 15.622 -7.424 9.413 1.00 0.00 H new ATOM 0 HG2 LYS B 75 15.165 -9.169 11.071 1.00 0.00 H new ATOM 0 HG3 LYS B 75 13.671 -8.461 10.489 1.00 0.00 H new ATOM 0 HD2 LYS B 75 13.432 -10.387 8.884 1.00 0.00 H new ATOM 0 HD3 LYS B 75 14.868 -11.109 9.582 1.00 0.00 H new ATOM 0 HE2 LYS B 75 13.770 -11.166 11.807 1.00 0.00 H new ATOM 0 HE3 LYS B 75 12.339 -10.417 11.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 12.082 -12.801 11.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 12.062 -12.333 9.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 13.449 -13.058 10.327 1.00 0.00 H new ATOM 1846 N GLU B 76 13.124 -6.397 8.625 1.00 0.00 N ATOM 1847 CA GLU B 76 11.903 -5.731 9.038 1.00 0.00 C ATOM 1848 C GLU B 76 11.033 -5.404 7.833 1.00 0.00 C ATOM 1849 O GLU B 76 9.810 -5.387 7.937 1.00 0.00 O ATOM 1850 CB GLU B 76 12.229 -4.472 9.835 1.00 0.00 C ATOM 1851 CG GLU B 76 11.002 -3.718 10.310 1.00 0.00 C ATOM 1852 CD GLU B 76 11.259 -2.960 11.594 1.00 0.00 C ATOM 1853 OE1 GLU B 76 12.080 -2.021 11.589 1.00 0.00 O ATOM 1854 OE2 GLU B 76 10.642 -3.308 12.623 1.00 0.00 O ATOM 0 H GLU B 76 13.973 -5.849 8.766 1.00 0.00 H new ATOM 0 HA GLU B 76 11.341 -6.407 9.682 1.00 0.00 H new ATOM 0 HB2 GLU B 76 12.834 -4.746 10.699 1.00 0.00 H new ATOM 0 HB3 GLU B 76 12.836 -3.809 9.219 1.00 0.00 H new ATOM 0 HG2 GLU B 76 10.684 -3.020 9.535 1.00 0.00 H new ATOM 0 HG3 GLU B 76 10.182 -4.420 10.462 1.00 0.00 H new ATOM 1861 N ALA B 77 11.668 -5.160 6.690 1.00 0.00 N ATOM 1862 CA ALA B 77 10.944 -4.948 5.444 1.00 0.00 C ATOM 1863 C ALA B 77 10.019 -6.123 5.174 1.00 0.00 C ATOM 1864 O ALA B 77 8.853 -5.942 4.833 1.00 0.00 O ATOM 1865 CB ALA B 77 11.910 -4.758 4.283 1.00 0.00 C ATOM 0 H ALA B 77 12.683 -5.105 6.603 1.00 0.00 H new ATOM 0 HA ALA B 77 10.347 -4.041 5.541 1.00 0.00 H new ATOM 0 HB1 ALA B 77 11.347 -4.601 3.363 1.00 0.00 H new ATOM 0 HB2 ALA B 77 12.542 -3.891 4.474 1.00 0.00 H new ATOM 0 HB3 ALA B 77 12.534 -5.646 4.180 1.00 0.00 H new ATOM 1871 N MET B 78 10.540 -7.332 5.364 1.00 0.00 N ATOM 1872 CA MET B 78 9.751 -8.538 5.170 1.00 0.00 C ATOM 1873 C MET B 78 8.611 -8.590 6.173 1.00 0.00 C ATOM 1874 O MET B 78 7.492 -8.961 5.827 1.00 0.00 O ATOM 1875 CB MET B 78 10.619 -9.793 5.300 1.00 0.00 C ATOM 1876 CG MET B 78 11.676 -9.920 4.219 1.00 0.00 C ATOM 1877 SD MET B 78 12.567 -11.484 4.292 1.00 0.00 S ATOM 1878 CE MET B 78 13.665 -11.288 2.892 1.00 0.00 C ATOM 0 H MET B 78 11.504 -7.499 5.652 1.00 0.00 H new ATOM 0 HA MET B 78 9.339 -8.510 4.161 1.00 0.00 H new ATOM 0 HB2 MET B 78 11.108 -9.786 6.274 1.00 0.00 H new ATOM 0 HB3 MET B 78 9.976 -10.673 5.272 1.00 0.00 H new ATOM 0 HG2 MET B 78 11.203 -9.822 3.242 1.00 0.00 H new ATOM 0 HG3 MET B 78 12.386 -9.098 4.313 1.00 0.00 H new ATOM 0 HE1 MET B 78 14.291 -12.175 2.794 1.00 0.00 H new ATOM 0 HE2 MET B 78 13.077 -11.157 1.984 1.00 0.00 H new ATOM 0 HE3 MET B 78 14.296 -10.413 3.045 1.00 0.00 H new ATOM 1888 N GLU B 79 8.902 -8.203 7.411 1.00 0.00 N ATOM 1889 CA GLU B 79 7.892 -8.183 8.465 1.00 0.00 C ATOM 1890 C GLU B 79 6.786 -7.179 8.143 1.00 0.00 C ATOM 1891 O GLU B 79 5.600 -7.453 8.351 1.00 0.00 O ATOM 1892 CB GLU B 79 8.527 -7.840 9.809 1.00 0.00 C ATOM 1893 CG GLU B 79 9.613 -8.811 10.230 1.00 0.00 C ATOM 1894 CD GLU B 79 10.142 -8.515 11.615 1.00 0.00 C ATOM 1895 OE1 GLU B 79 9.741 -9.220 12.567 1.00 0.00 O ATOM 1896 OE2 GLU B 79 10.932 -7.565 11.766 1.00 0.00 O ATOM 0 H GLU B 79 9.829 -7.899 7.710 1.00 0.00 H new ATOM 0 HA GLU B 79 7.451 -9.178 8.524 1.00 0.00 H new ATOM 0 HB2 GLU B 79 8.948 -6.836 9.757 1.00 0.00 H new ATOM 0 HB3 GLU B 79 7.751 -7.821 10.574 1.00 0.00 H new ATOM 0 HG2 GLU B 79 9.219 -9.827 10.203 1.00 0.00 H new ATOM 0 HG3 GLU B 79 10.433 -8.768 9.513 1.00 0.00 H new ATOM 1903 N ILE B 80 7.186 -6.016 7.639 1.00 0.00 N ATOM 1904 CA ILE B 80 6.240 -4.986 7.230 1.00 0.00 C ATOM 1905 C ILE B 80 5.366 -5.496 6.093 1.00 0.00 C ATOM 1906 O ILE B 80 4.146 -5.342 6.118 1.00 0.00 O ATOM 1907 CB ILE B 80 6.961 -3.695 6.774 1.00 0.00 C ATOM 1908 CG1 ILE B 80 7.799 -3.114 7.915 1.00 0.00 C ATOM 1909 CG2 ILE B 80 5.954 -2.663 6.279 1.00 0.00 C ATOM 1910 CD1 ILE B 80 8.699 -1.972 7.491 1.00 0.00 C ATOM 0 H ILE B 80 8.165 -5.763 7.504 1.00 0.00 H new ATOM 0 HA ILE B 80 5.624 -4.749 8.097 1.00 0.00 H new ATOM 0 HB ILE B 80 7.627 -3.951 5.950 1.00 0.00 H new ATOM 0 HG12 ILE B 80 7.131 -2.765 8.703 1.00 0.00 H new ATOM 0 HG13 ILE B 80 8.411 -3.907 8.344 1.00 0.00 H new ATOM 0 HG21 ILE B 80 6.481 -1.763 5.963 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.398 -3.073 5.436 1.00 0.00 H new ATOM 0 HG23 ILE B 80 5.262 -2.415 7.084 1.00 0.00 H new ATOM 0 HD11 ILE B 80 9.261 -1.612 8.353 1.00 0.00 H new ATOM 0 HD12 ILE B 80 9.392 -2.320 6.725 1.00 0.00 H new ATOM 0 HD13 ILE B 80 8.092 -1.160 7.089 1.00 0.00 H new ATOM 1922 N ILE B 81 6.001 -6.122 5.109 1.00 0.00 N ATOM 1923 CA ILE B 81 5.286 -6.664 3.957 1.00 0.00 C ATOM 1924 C ILE B 81 4.283 -7.738 4.385 1.00 0.00 C ATOM 1925 O ILE B 81 3.190 -7.833 3.821 1.00 0.00 O ATOM 1926 CB ILE B 81 6.260 -7.236 2.898 1.00 0.00 C ATOM 1927 CG1 ILE B 81 7.148 -6.121 2.331 1.00 0.00 C ATOM 1928 CG2 ILE B 81 5.500 -7.929 1.773 1.00 0.00 C ATOM 1929 CD1 ILE B 81 6.378 -4.985 1.687 1.00 0.00 C ATOM 0 H ILE B 81 7.010 -6.267 5.085 1.00 0.00 H new ATOM 0 HA ILE B 81 4.739 -5.838 3.503 1.00 0.00 H new ATOM 0 HB ILE B 81 6.893 -7.976 3.387 1.00 0.00 H new ATOM 0 HG12 ILE B 81 7.765 -5.718 3.134 1.00 0.00 H new ATOM 0 HG13 ILE B 81 7.826 -6.551 1.593 1.00 0.00 H new ATOM 0 HG21 ILE B 81 6.208 -8.321 1.043 1.00 0.00 H new ATOM 0 HG22 ILE B 81 4.910 -8.749 2.183 1.00 0.00 H new ATOM 0 HG23 ILE B 81 4.837 -7.213 1.287 1.00 0.00 H new ATOM 0 HD11 ILE B 81 7.078 -4.238 1.311 1.00 0.00 H new ATOM 0 HD12 ILE B 81 5.782 -5.372 0.861 1.00 0.00 H new ATOM 0 HD13 ILE B 81 5.720 -4.527 2.425 1.00 0.00 H new ATOM 1941 N LYS B 82 4.646 -8.533 5.391 1.00 0.00 N ATOM 1942 CA LYS B 82 3.729 -9.528 5.943 1.00 0.00 C ATOM 1943 C LYS B 82 2.457 -8.850 6.439 1.00 0.00 C ATOM 1944 O LYS B 82 1.345 -9.260 6.103 1.00 0.00 O ATOM 1945 CB LYS B 82 4.370 -10.295 7.106 1.00 0.00 C ATOM 1946 CG LYS B 82 5.623 -11.073 6.743 1.00 0.00 C ATOM 1947 CD LYS B 82 5.361 -12.104 5.661 1.00 0.00 C ATOM 1948 CE LYS B 82 6.601 -12.935 5.380 1.00 0.00 C ATOM 1949 NZ LYS B 82 7.772 -12.087 5.028 1.00 0.00 N ATOM 0 H LYS B 82 5.563 -8.508 5.838 1.00 0.00 H new ATOM 0 HA LYS B 82 3.491 -10.233 5.147 1.00 0.00 H new ATOM 0 HB2 LYS B 82 4.616 -9.587 7.898 1.00 0.00 H new ATOM 0 HB3 LYS B 82 3.635 -10.988 7.515 1.00 0.00 H new ATOM 0 HG2 LYS B 82 6.394 -10.381 6.404 1.00 0.00 H new ATOM 0 HG3 LYS B 82 6.010 -11.571 7.632 1.00 0.00 H new ATOM 0 HD2 LYS B 82 4.544 -12.757 5.968 1.00 0.00 H new ATOM 0 HD3 LYS B 82 5.042 -11.603 4.747 1.00 0.00 H new ATOM 0 HE2 LYS B 82 6.840 -13.537 6.256 1.00 0.00 H new ATOM 0 HE3 LYS B 82 6.396 -13.627 4.563 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 8.533 -12.686 4.649 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 7.492 -11.388 4.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 8.111 -11.593 5.878 1.00 0.00 H new ATOM 1963 N LYS B 83 2.639 -7.803 7.233 1.00 0.00 N ATOM 1964 CA LYS B 83 1.521 -7.059 7.794 1.00 0.00 C ATOM 1965 C LYS B 83 0.743 -6.351 6.695 1.00 0.00 C ATOM 1966 O LYS B 83 -0.487 -6.339 6.705 1.00 0.00 O ATOM 1967 CB LYS B 83 2.026 -6.037 8.812 1.00 0.00 C ATOM 1968 CG LYS B 83 2.783 -6.659 9.970 1.00 0.00 C ATOM 1969 CD LYS B 83 3.335 -5.599 10.906 1.00 0.00 C ATOM 1970 CE LYS B 83 4.106 -6.225 12.054 1.00 0.00 C ATOM 1971 NZ LYS B 83 5.253 -7.041 11.574 1.00 0.00 N ATOM 0 H LYS B 83 3.556 -7.449 7.504 1.00 0.00 H new ATOM 0 HA LYS B 83 0.857 -7.764 8.294 1.00 0.00 H new ATOM 0 HB2 LYS B 83 2.675 -5.322 8.306 1.00 0.00 H new ATOM 0 HB3 LYS B 83 1.177 -5.476 9.203 1.00 0.00 H new ATOM 0 HG2 LYS B 83 2.121 -7.325 10.523 1.00 0.00 H new ATOM 0 HG3 LYS B 83 3.601 -7.269 9.586 1.00 0.00 H new ATOM 0 HD2 LYS B 83 3.988 -4.925 10.351 1.00 0.00 H new ATOM 0 HD3 LYS B 83 2.516 -4.997 11.300 1.00 0.00 H new ATOM 0 HE2 LYS B 83 4.471 -5.440 12.716 1.00 0.00 H new ATOM 0 HE3 LYS B 83 3.436 -6.852 12.642 1.00 0.00 H new ATOM 0 HZ1 LYS B 83 6.090 -6.840 12.158 1.00 0.00 H new ATOM 0 HZ2 LYS B 83 5.015 -8.051 11.646 1.00 0.00 H new ATOM 0 HZ3 LYS B 83 5.457 -6.803 10.582 1.00 0.00 H new ATOM 1985 N PHE B 84 1.476 -5.780 5.748 1.00 0.00 N ATOM 1986 CA PHE B 84 0.888 -5.039 4.642 1.00 0.00 C ATOM 1987 C PHE B 84 -0.092 -5.916 3.870 1.00 0.00 C ATOM 1988 O PHE B 84 -1.244 -5.537 3.652 1.00 0.00 O ATOM 1989 CB PHE B 84 1.994 -4.542 3.708 1.00 0.00 C ATOM 1990 CG PHE B 84 1.715 -3.202 3.088 1.00 0.00 C ATOM 1991 CD1 PHE B 84 0.718 -3.050 2.139 1.00 0.00 C ATOM 1992 CD2 PHE B 84 2.459 -2.093 3.456 1.00 0.00 C ATOM 1993 CE1 PHE B 84 0.468 -1.817 1.569 1.00 0.00 C ATOM 1994 CE2 PHE B 84 2.214 -0.858 2.890 1.00 0.00 C ATOM 1995 CZ PHE B 84 1.217 -0.719 1.945 1.00 0.00 C ATOM 0 H PHE B 84 2.495 -5.818 5.726 1.00 0.00 H new ATOM 0 HA PHE B 84 0.343 -4.184 5.043 1.00 0.00 H new ATOM 0 HB2 PHE B 84 2.928 -4.485 4.266 1.00 0.00 H new ATOM 0 HB3 PHE B 84 2.141 -5.274 2.914 1.00 0.00 H new ATOM 0 HD1 PHE B 84 0.129 -3.905 1.841 1.00 0.00 H new ATOM 0 HD2 PHE B 84 3.240 -2.196 4.195 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -0.312 -1.711 0.830 1.00 0.00 H new ATOM 0 HE2 PHE B 84 2.802 -0.001 3.186 1.00 0.00 H new ATOM 0 HZ PHE B 84 1.023 0.246 1.501 1.00 0.00 H new ATOM 2005 N LYS B 85 0.366 -7.101 3.480 1.00 0.00 N ATOM 2006 CA LYS B 85 -0.466 -8.033 2.730 1.00 0.00 C ATOM 2007 C LYS B 85 -1.667 -8.492 3.555 1.00 0.00 C ATOM 2008 O LYS B 85 -2.751 -8.718 3.012 1.00 0.00 O ATOM 2009 CB LYS B 85 0.349 -9.245 2.278 1.00 0.00 C ATOM 2010 CG LYS B 85 1.438 -8.915 1.270 1.00 0.00 C ATOM 2011 CD LYS B 85 2.147 -10.174 0.800 1.00 0.00 C ATOM 2012 CE LYS B 85 3.208 -9.873 -0.248 1.00 0.00 C ATOM 2013 NZ LYS B 85 3.892 -11.111 -0.710 1.00 0.00 N ATOM 0 H LYS B 85 1.309 -7.438 3.671 1.00 0.00 H new ATOM 0 HA LYS B 85 -0.835 -7.507 1.849 1.00 0.00 H new ATOM 0 HB2 LYS B 85 0.805 -9.710 3.152 1.00 0.00 H new ATOM 0 HB3 LYS B 85 -0.325 -9.981 1.841 1.00 0.00 H new ATOM 0 HG2 LYS B 85 1.002 -8.398 0.415 1.00 0.00 H new ATOM 0 HG3 LYS B 85 2.160 -8.234 1.720 1.00 0.00 H new ATOM 0 HD2 LYS B 85 2.610 -10.669 1.653 1.00 0.00 H new ATOM 0 HD3 LYS B 85 1.416 -10.869 0.387 1.00 0.00 H new ATOM 0 HE2 LYS B 85 2.747 -9.373 -1.100 1.00 0.00 H new ATOM 0 HE3 LYS B 85 3.944 -9.184 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 4.735 -10.856 -1.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 4.177 -11.678 0.114 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 3.243 -11.665 -1.304 1.00 0.00 H new ATOM 2027 N LYS B 86 -1.473 -8.627 4.863 1.00 0.00 N ATOM 2028 CA LYS B 86 -2.557 -9.037 5.751 1.00 0.00 C ATOM 2029 C LYS B 86 -3.620 -7.950 5.866 1.00 0.00 C ATOM 2030 O LYS B 86 -4.818 -8.243 5.828 1.00 0.00 O ATOM 2031 CB LYS B 86 -2.023 -9.394 7.137 1.00 0.00 C ATOM 2032 CG LYS B 86 -1.217 -10.678 7.160 1.00 0.00 C ATOM 2033 CD LYS B 86 -0.793 -11.040 8.572 1.00 0.00 C ATOM 2034 CE LYS B 86 0.040 -12.309 8.593 1.00 0.00 C ATOM 2035 NZ LYS B 86 1.307 -12.151 7.834 1.00 0.00 N ATOM 0 H LYS B 86 -0.582 -8.460 5.330 1.00 0.00 H new ATOM 0 HA LYS B 86 -3.017 -9.923 5.314 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -1.400 -8.576 7.500 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -2.861 -9.487 7.828 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -1.810 -11.489 6.737 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -0.334 -10.567 6.531 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -0.219 -10.219 9.003 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -1.677 -11.173 9.196 1.00 0.00 H new ATOM 0 HE2 LYS B 86 0.266 -12.578 9.625 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -0.538 -13.130 8.168 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 2.096 -12.534 8.392 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 1.238 -12.666 6.933 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 1.475 -11.142 7.645 1.00 0.00 H new ATOM 2049 N ASP B 87 -3.185 -6.701 6.000 1.00 0.00 N ATOM 2050 CA ASP B 87 -4.114 -5.577 6.063 1.00 0.00 C ATOM 2051 C ASP B 87 -4.872 -5.441 4.754 1.00 0.00 C ATOM 2052 O ASP B 87 -6.077 -5.192 4.751 1.00 0.00 O ATOM 2053 CB ASP B 87 -3.390 -4.267 6.391 1.00 0.00 C ATOM 2054 CG ASP B 87 -3.301 -4.007 7.884 1.00 0.00 C ATOM 2055 OD1 ASP B 87 -4.258 -3.438 8.454 1.00 0.00 O ATOM 2056 OD2 ASP B 87 -2.277 -4.363 8.500 1.00 0.00 O ATOM 0 H ASP B 87 -2.201 -6.442 6.067 1.00 0.00 H new ATOM 0 HA ASP B 87 -4.823 -5.780 6.866 1.00 0.00 H new ATOM 0 HB2 ASP B 87 -2.385 -4.297 5.971 1.00 0.00 H new ATOM 0 HB3 ASP B 87 -3.911 -3.438 5.912 1.00 0.00 H new ATOM 2061 N LEU B 88 -4.165 -5.627 3.642 1.00 0.00 N ATOM 2062 CA LEU B 88 -4.787 -5.598 2.322 1.00 0.00 C ATOM 2063 C LEU B 88 -5.882 -6.651 2.231 1.00 0.00 C ATOM 2064 O LEU B 88 -6.972 -6.389 1.727 1.00 0.00 O ATOM 2065 CB LEU B 88 -3.751 -5.849 1.224 1.00 0.00 C ATOM 2066 CG LEU B 88 -2.687 -4.765 1.053 1.00 0.00 C ATOM 2067 CD1 LEU B 88 -1.690 -5.176 -0.017 1.00 0.00 C ATOM 2068 CD2 LEU B 88 -3.327 -3.430 0.698 1.00 0.00 C ATOM 0 H LEU B 88 -3.160 -5.800 3.629 1.00 0.00 H new ATOM 0 HA LEU B 88 -5.221 -4.608 2.178 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -3.250 -6.794 1.433 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -4.276 -5.969 0.276 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.159 -4.647 2.000 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.936 -4.397 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.207 -6.108 0.275 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -2.211 -5.318 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -2.551 -2.674 0.581 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -3.881 -3.529 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -4.009 -3.130 1.494 1.00 0.00 H new ATOM 2080 N ALA B 89 -5.578 -7.841 2.738 1.00 0.00 N ATOM 2081 CA ALA B 89 -6.524 -8.946 2.733 1.00 0.00 C ATOM 2082 C ALA B 89 -7.773 -8.596 3.532 1.00 0.00 C ATOM 2083 O ALA B 89 -8.892 -8.840 3.086 1.00 0.00 O ATOM 2084 CB ALA B 89 -5.868 -10.198 3.293 1.00 0.00 C ATOM 0 H ALA B 89 -4.676 -8.064 3.160 1.00 0.00 H new ATOM 0 HA ALA B 89 -6.825 -9.137 1.703 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -6.585 -11.019 3.285 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -5.006 -10.462 2.680 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -5.542 -10.011 4.316 1.00 0.00 H new ATOM 2090 N ALA B 90 -7.572 -8.010 4.705 1.00 0.00 N ATOM 2091 CA ALA B 90 -8.680 -7.616 5.564 1.00 0.00 C ATOM 2092 C ALA B 90 -9.558 -6.575 4.877 1.00 0.00 C ATOM 2093 O ALA B 90 -10.783 -6.692 4.865 1.00 0.00 O ATOM 2094 CB ALA B 90 -8.156 -7.078 6.886 1.00 0.00 C ATOM 0 H ALA B 90 -6.649 -7.797 5.084 1.00 0.00 H new ATOM 0 HA ALA B 90 -9.290 -8.498 5.761 1.00 0.00 H new ATOM 0 HB1 ALA B 90 -8.995 -6.787 7.519 1.00 0.00 H new ATOM 0 HB2 ALA B 90 -7.574 -7.851 7.388 1.00 0.00 H new ATOM 0 HB3 ALA B 90 -7.523 -6.210 6.700 1.00 0.00 H new ATOM 2100 N MET B 91 -8.918 -5.569 4.287 1.00 0.00 N ATOM 2101 CA MET B 91 -9.632 -4.503 3.590 1.00 0.00 C ATOM 2102 C MET B 91 -10.404 -5.065 2.405 1.00 0.00 C ATOM 2103 O MET B 91 -11.541 -4.672 2.147 1.00 0.00 O ATOM 2104 CB MET B 91 -8.656 -3.423 3.113 1.00 0.00 C ATOM 2105 CG MET B 91 -7.838 -2.805 4.234 1.00 0.00 C ATOM 2106 SD MET B 91 -8.860 -2.066 5.521 1.00 0.00 S ATOM 2107 CE MET B 91 -7.623 -1.750 6.774 1.00 0.00 C ATOM 0 H MET B 91 -7.903 -5.470 4.278 1.00 0.00 H new ATOM 0 HA MET B 91 -10.338 -4.053 4.289 1.00 0.00 H new ATOM 0 HB2 MET B 91 -7.979 -3.856 2.377 1.00 0.00 H new ATOM 0 HB3 MET B 91 -9.216 -2.637 2.607 1.00 0.00 H new ATOM 0 HG2 MET B 91 -7.201 -3.571 4.677 1.00 0.00 H new ATOM 0 HG3 MET B 91 -7.178 -2.043 3.818 1.00 0.00 H new ATOM 0 HE1 MET B 91 -8.094 -1.291 7.643 1.00 0.00 H new ATOM 0 HE2 MET B 91 -7.156 -2.689 7.069 1.00 0.00 H new ATOM 0 HE3 MET B 91 -6.864 -1.077 6.375 1.00 0.00 H new ATOM 2117 N LEU B 92 -9.776 -5.998 1.700 1.00 0.00 N ATOM 2118 CA LEU B 92 -10.393 -6.656 0.557 1.00 0.00 C ATOM 2119 C LEU B 92 -11.671 -7.380 0.973 1.00 0.00 C ATOM 2120 O LEU B 92 -12.695 -7.299 0.291 1.00 0.00 O ATOM 2121 CB LEU B 92 -9.407 -7.647 -0.062 1.00 0.00 C ATOM 2122 CG LEU B 92 -9.913 -8.384 -1.298 1.00 0.00 C ATOM 2123 CD1 LEU B 92 -10.299 -7.391 -2.382 1.00 0.00 C ATOM 2124 CD2 LEU B 92 -8.853 -9.351 -1.801 1.00 0.00 C ATOM 0 H LEU B 92 -8.829 -6.318 1.904 1.00 0.00 H new ATOM 0 HA LEU B 92 -10.655 -5.898 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU B 92 -8.496 -7.110 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU B 92 -9.135 -8.384 0.694 1.00 0.00 H new ATOM 0 HG LEU B 92 -10.801 -8.957 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU B 92 -10.658 -7.930 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU B 92 -11.087 -6.735 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU B 92 -9.429 -6.794 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU B 92 -9.225 -9.872 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU B 92 -7.950 -8.798 -2.059 1.00 0.00 H new ATOM 0 HD23 LEU B 92 -8.623 -10.077 -1.021 1.00 0.00 H new ATOM 2136 N ARG B 93 -11.605 -8.076 2.101 1.00 0.00 N ATOM 2137 CA ARG B 93 -12.762 -8.788 2.632 1.00 0.00 C ATOM 2138 C ARG B 93 -13.884 -7.811 2.962 1.00 0.00 C ATOM 2139 O ARG B 93 -15.066 -8.129 2.813 1.00 0.00 O ATOM 2140 CB ARG B 93 -12.373 -9.581 3.880 1.00 0.00 C ATOM 2141 CG ARG B 93 -11.314 -10.638 3.621 1.00 0.00 C ATOM 2142 CD ARG B 93 -10.825 -11.261 4.915 1.00 0.00 C ATOM 2143 NE ARG B 93 -9.671 -12.133 4.700 1.00 0.00 N ATOM 2144 CZ ARG B 93 -8.643 -12.230 5.545 1.00 0.00 C ATOM 2145 NH1 ARG B 93 -8.631 -11.518 6.666 1.00 0.00 N ATOM 2146 NH2 ARG B 93 -7.629 -13.041 5.273 1.00 0.00 N ATOM 0 H ARG B 93 -10.761 -8.163 2.667 1.00 0.00 H new ATOM 0 HA ARG B 93 -13.116 -9.483 1.871 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -12.007 -8.891 4.640 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -13.263 -10.062 4.287 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -11.723 -11.414 2.974 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -10.473 -10.191 3.090 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -10.558 -10.473 5.619 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -11.633 -11.834 5.370 1.00 0.00 H new ATOM 0 HE ARG B 93 -9.651 -12.701 3.853 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -9.409 -10.895 6.883 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -7.844 -11.594 7.310 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -7.633 -13.593 4.415 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -6.845 -13.112 5.921 1.00 0.00 H new ATOM 2160 N ILE B 94 -13.506 -6.616 3.404 1.00 0.00 N ATOM 2161 CA ILE B 94 -14.474 -5.577 3.713 1.00 0.00 C ATOM 2162 C ILE B 94 -15.127 -5.045 2.438 1.00 0.00 C ATOM 2163 O ILE B 94 -16.341 -4.871 2.394 1.00 0.00 O ATOM 2164 CB ILE B 94 -13.831 -4.416 4.496 1.00 0.00 C ATOM 2165 CG1 ILE B 94 -13.216 -4.940 5.797 1.00 0.00 C ATOM 2166 CG2 ILE B 94 -14.866 -3.337 4.791 1.00 0.00 C ATOM 2167 CD1 ILE B 94 -12.415 -3.907 6.558 1.00 0.00 C ATOM 0 H ILE B 94 -12.534 -6.346 3.555 1.00 0.00 H new ATOM 0 HA ILE B 94 -15.241 -6.029 4.343 1.00 0.00 H new ATOM 0 HB ILE B 94 -13.041 -3.975 3.888 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -14.014 -5.312 6.440 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -12.571 -5.788 5.566 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -14.396 -2.524 5.345 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -15.268 -2.953 3.854 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -15.675 -3.761 5.386 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -12.013 -4.355 7.466 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -11.594 -3.551 5.935 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -13.060 -3.069 6.822 1.00 0.00 H new ATOM 2179 N ILE B 95 -14.323 -4.808 1.399 1.00 0.00 N ATOM 2180 CA ILE B 95 -14.855 -4.369 0.104 1.00 0.00 C ATOM 2181 C ILE B 95 -15.872 -5.378 -0.406 1.00 0.00 C ATOM 2182 O ILE B 95 -16.929 -5.018 -0.927 1.00 0.00 O ATOM 2183 CB ILE B 95 -13.756 -4.211 -0.967 1.00 0.00 C ATOM 2184 CG1 ILE B 95 -12.621 -3.349 -0.442 1.00 0.00 C ATOM 2185 CG2 ILE B 95 -14.345 -3.559 -2.208 1.00 0.00 C ATOM 2186 CD1 ILE B 95 -13.057 -1.937 -0.160 1.00 0.00 C ATOM 0 H ILE B 95 -13.309 -4.911 1.427 1.00 0.00 H new ATOM 0 HA ILE B 95 -15.315 -3.395 0.270 1.00 0.00 H new ATOM 0 HB ILE B 95 -13.367 -5.199 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.223 -3.793 0.471 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -11.810 -3.338 -1.170 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -13.568 -3.448 -2.964 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -15.147 -4.184 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -14.743 -2.578 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.209 -1.362 0.213 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.429 -1.481 -1.077 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -13.849 -1.943 0.589 1.00 0.00 H new ATOM 2198 N ASN B 96 -15.535 -6.647 -0.234 1.00 0.00 N ATOM 2199 CA ASN B 96 -16.400 -7.744 -0.637 1.00 0.00 C ATOM 2200 C ASN B 96 -17.683 -7.745 0.189 1.00 0.00 C ATOM 2201 O ASN B 96 -18.769 -8.029 -0.321 1.00 0.00 O ATOM 2202 CB ASN B 96 -15.653 -9.074 -0.473 1.00 0.00 C ATOM 2203 CG ASN B 96 -16.451 -10.276 -0.945 1.00 0.00 C ATOM 2204 OD1 ASN B 96 -16.390 -10.656 -2.113 1.00 0.00 O ATOM 2205 ND2 ASN B 96 -17.191 -10.893 -0.041 1.00 0.00 N ATOM 0 H ASN B 96 -14.655 -6.945 0.188 1.00 0.00 H new ATOM 0 HA ASN B 96 -16.673 -7.616 -1.685 1.00 0.00 H new ATOM 0 HB2 ASN B 96 -14.717 -9.027 -1.030 1.00 0.00 H new ATOM 0 HB3 ASN B 96 -15.393 -9.209 0.577 1.00 0.00 H new ATOM 0 HD21 ASN B 96 -17.737 -11.714 -0.303 1.00 0.00 H new ATOM 0 HD22 ASN B 96 -17.216 -10.548 0.919 1.00 0.00 H new ATOM 2212 N ALA B 97 -17.550 -7.403 1.461 1.00 0.00 N ATOM 2213 CA ALA B 97 -18.682 -7.376 2.374 1.00 0.00 C ATOM 2214 C ALA B 97 -19.567 -6.161 2.127 1.00 0.00 C ATOM 2215 O ALA B 97 -20.759 -6.183 2.427 1.00 0.00 O ATOM 2216 CB ALA B 97 -18.191 -7.384 3.813 1.00 0.00 C ATOM 0 H ALA B 97 -16.662 -7.138 1.887 1.00 0.00 H new ATOM 0 HA ALA B 97 -19.282 -8.268 2.193 1.00 0.00 H new ATOM 0 HB1 ALA B 97 -19.046 -7.364 4.489 1.00 0.00 H new ATOM 0 HB2 ALA B 97 -17.607 -8.287 3.993 1.00 0.00 H new ATOM 0 HB3 ALA B 97 -17.568 -6.507 3.990 1.00 0.00 H new ATOM 2222 N ARG B 98 -18.986 -5.110 1.554 1.00 0.00 N ATOM 2223 CA ARG B 98 -19.699 -3.850 1.363 1.00 0.00 C ATOM 2224 C ARG B 98 -20.762 -3.950 0.276 1.00 0.00 C ATOM 2225 O ARG B 98 -21.539 -3.017 0.076 1.00 0.00 O ATOM 2226 CB ARG B 98 -18.729 -2.708 1.049 1.00 0.00 C ATOM 2227 CG ARG B 98 -17.876 -2.266 2.236 1.00 0.00 C ATOM 2228 CD ARG B 98 -18.723 -1.750 3.398 1.00 0.00 C ATOM 2229 NE ARG B 98 -19.428 -2.827 4.101 1.00 0.00 N ATOM 2230 CZ ARG B 98 -20.736 -2.818 4.376 1.00 0.00 C ATOM 2231 NH1 ARG B 98 -21.484 -1.766 4.059 1.00 0.00 N ATOM 2232 NH2 ARG B 98 -21.291 -3.862 4.980 1.00 0.00 N ATOM 0 H ARG B 98 -18.024 -5.106 1.214 1.00 0.00 H new ATOM 0 HA ARG B 98 -20.205 -3.632 2.303 1.00 0.00 H new ATOM 0 HB2 ARG B 98 -18.070 -3.019 0.238 1.00 0.00 H new ATOM 0 HB3 ARG B 98 -19.298 -1.852 0.687 1.00 0.00 H new ATOM 0 HG2 ARG B 98 -17.269 -3.105 2.576 1.00 0.00 H new ATOM 0 HG3 ARG B 98 -17.188 -1.484 1.915 1.00 0.00 H new ATOM 0 HD2 ARG B 98 -18.083 -1.219 4.102 1.00 0.00 H new ATOM 0 HD3 ARG B 98 -19.449 -1.030 3.022 1.00 0.00 H new ATOM 0 HE ARG B 98 -18.884 -3.636 4.400 1.00 0.00 H new ATOM 0 HH11 ARG B 98 -21.061 -0.958 3.603 1.00 0.00 H new ATOM 0 HH12 ARG B 98 -22.481 -1.767 4.272 1.00 0.00 H new ATOM 0 HH21 ARG B 98 -20.719 -4.668 5.233 1.00 0.00 H new ATOM 0 HH22 ARG B 98 -22.289 -3.858 5.191 1.00 0.00 H new