USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 714 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0.78 (180deg=0.755) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -93:sc= 0.0853 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -1.58 F(o=-4.7!,f=-1.6) USER MOD Single : A 32 SER OG : rot 39:sc= 0.454 USER MOD Single : A 34 CYS SG : rot -120:sc= -0.0825 USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 0.376 (180deg=0.323) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 38 ASN : amide:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.0204 X(o=-0.02,f=-0.011) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -68:sc= 0.693 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0598 USER MOD Single : A 63 SER OG : rot 180:sc= -1.08 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 0.188 (180deg=0.172) USER MOD Single : A 77 THR OG1 : rot 38:sc= 0.191 USER MOD Single : A 78 MET CE :methyl -133:sc= -0.41 (180deg=-0.58) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -114:sc= 1.21 (180deg=-0.0958) USER MOD Single : A 88 SER OG : rot -11:sc= -0.198 USER MOD Single : A 89 ASN : amide:sc= 0.163 X(o=0.16,f=-0.0015) USER MOD Single : A 90 ASN : amide:sc= -0.1 K(o=-0.1,f=-4.9!) USER MOD Single : A 93 MET CE :methyl -157:sc= -0.144 (180deg=-0.638) USER MOD Single : A 98 LYS NZ :NH3+ -121:sc= 0.521 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PHE A 11 11.221 -4.202 3.490 1.00 0.00 N ATOM 84 CA PHE A 11 11.014 -3.369 2.285 1.00 0.00 C ATOM 85 C PHE A 11 9.527 -3.390 1.848 1.00 0.00 C ATOM 86 O PHE A 11 9.165 -3.809 0.735 1.00 0.00 O ATOM 87 CB PHE A 11 12.000 -3.768 1.138 1.00 0.00 C ATOM 88 CG PHE A 11 12.249 -5.277 0.962 1.00 0.00 C ATOM 89 CD1 PHE A 11 11.387 -6.071 0.208 1.00 0.00 C ATOM 90 CD2 PHE A 11 13.355 -5.898 1.553 1.00 0.00 C ATOM 91 CE1 PHE A 11 11.617 -7.427 0.046 1.00 0.00 C ATOM 92 CE2 PHE A 11 13.581 -7.255 1.391 1.00 0.00 C ATOM 93 CZ PHE A 11 12.715 -8.018 0.637 1.00 0.00 C ATOM 0 HA PHE A 11 11.249 -2.334 2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.615 -3.371 0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.957 -3.280 1.322 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.524 -5.620 -0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 11 14.042 -5.311 2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.936 -8.023 -0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 11 14.439 -7.717 1.857 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.895 -9.075 0.509 1.00 0.00 H new ATOM 103 N VAL A 12 8.685 -2.915 2.777 1.00 0.00 N ATOM 104 CA VAL A 12 7.233 -2.755 2.623 1.00 0.00 C ATOM 105 C VAL A 12 6.871 -1.333 3.083 1.00 0.00 C ATOM 106 O VAL A 12 7.360 -0.872 4.116 1.00 0.00 O ATOM 107 CB VAL A 12 6.430 -3.817 3.491 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.890 -3.619 3.375 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.825 -5.269 3.111 1.00 0.00 C ATOM 0 H VAL A 12 9.013 -2.619 3.697 1.00 0.00 H new ATOM 0 HA VAL A 12 6.961 -2.917 1.580 1.00 0.00 H new ATOM 0 HB VAL A 12 6.706 -3.648 4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.380 -4.366 3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.624 -2.622 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.586 -3.731 2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.259 -5.972 3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.603 -5.443 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.891 -5.414 3.286 1.00 0.00 H new ATOM 119 N VAL A 13 6.038 -0.634 2.302 1.00 0.00 N ATOM 120 CA VAL A 13 5.443 0.661 2.686 1.00 0.00 C ATOM 121 C VAL A 13 3.930 0.495 2.871 1.00 0.00 C ATOM 122 O VAL A 13 3.404 -0.614 2.765 1.00 0.00 O ATOM 123 CB VAL A 13 5.730 1.779 1.615 1.00 0.00 C ATOM 124 CG1 VAL A 13 7.223 2.147 1.593 1.00 0.00 C ATOM 125 CG2 VAL A 13 5.228 1.355 0.210 1.00 0.00 C ATOM 0 H VAL A 13 5.753 -0.951 1.376 1.00 0.00 H new ATOM 0 HA VAL A 13 5.902 0.976 3.623 1.00 0.00 H new ATOM 0 HB VAL A 13 5.173 2.671 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.396 2.921 0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.521 2.517 2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.812 1.264 1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.441 2.148 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.737 0.441 -0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.153 1.177 0.246 1.00 0.00 H new ATOM 135 N LYS A 14 3.243 1.609 3.136 1.00 0.00 N ATOM 136 CA LYS A 14 1.789 1.638 3.257 1.00 0.00 C ATOM 137 C LYS A 14 1.252 2.948 2.671 1.00 0.00 C ATOM 138 O LYS A 14 1.859 4.019 2.808 1.00 0.00 O ATOM 139 CB LYS A 14 1.313 1.411 4.721 1.00 0.00 C ATOM 140 CG LYS A 14 1.798 2.455 5.741 1.00 0.00 C ATOM 141 CD LYS A 14 1.373 2.100 7.187 1.00 0.00 C ATOM 142 CE LYS A 14 1.974 3.038 8.240 1.00 0.00 C ATOM 143 NZ LYS A 14 1.558 2.649 9.614 1.00 0.00 N ATOM 0 H LYS A 14 3.684 2.518 3.273 1.00 0.00 H new ATOM 0 HA LYS A 14 1.379 0.807 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.223 1.395 4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.649 0.426 5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.884 2.532 5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.397 3.433 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.286 2.134 7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.675 1.076 7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.061 3.019 8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.659 4.062 8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.896 3.360 10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.521 2.592 9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.966 1.722 9.851 1.00 0.00 H new ATOM 157 N VAL A 15 0.107 2.822 2.017 1.00 0.00 N ATOM 158 CA VAL A 15 -0.543 3.849 1.222 1.00 0.00 C ATOM 159 C VAL A 15 -1.831 4.280 1.937 1.00 0.00 C ATOM 160 O VAL A 15 -2.724 3.458 2.179 1.00 0.00 O ATOM 161 CB VAL A 15 -0.844 3.276 -0.216 1.00 0.00 C ATOM 162 CG1 VAL A 15 -1.708 4.219 -1.067 1.00 0.00 C ATOM 163 CG2 VAL A 15 0.476 2.956 -0.947 1.00 0.00 C ATOM 0 H VAL A 15 -0.422 1.950 2.029 1.00 0.00 H new ATOM 0 HA VAL A 15 0.101 4.722 1.110 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.420 2.361 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.881 3.770 -2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.664 4.385 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.193 5.172 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.256 2.561 -1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.069 3.866 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.037 2.215 -0.378 1.00 0.00 H new ATOM 173 N ARG A 16 -1.886 5.564 2.285 1.00 0.00 N ATOM 174 CA ARG A 16 -2.975 6.162 3.063 1.00 0.00 C ATOM 175 C ARG A 16 -3.577 7.337 2.290 1.00 0.00 C ATOM 176 O ARG A 16 -2.866 8.040 1.568 1.00 0.00 O ATOM 177 CB ARG A 16 -2.461 6.638 4.444 1.00 0.00 C ATOM 178 CG ARG A 16 -1.869 5.528 5.346 1.00 0.00 C ATOM 179 CD ARG A 16 -1.745 5.964 6.819 1.00 0.00 C ATOM 180 NE ARG A 16 -3.049 6.377 7.371 1.00 0.00 N ATOM 181 CZ ARG A 16 -3.272 6.833 8.614 1.00 0.00 C ATOM 182 NH1 ARG A 16 -2.302 6.864 9.523 1.00 0.00 N ATOM 183 NH2 ARG A 16 -4.484 7.249 8.937 1.00 0.00 N ATOM 0 H ARG A 16 -1.160 6.234 2.030 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.745 5.408 3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.699 7.401 4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.284 7.115 4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.500 4.641 5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.885 5.246 4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.342 5.142 7.410 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.037 6.789 6.897 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.856 6.310 6.751 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.366 6.537 9.282 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.494 7.215 10.462 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.234 7.221 8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.670 7.598 9.877 1.00 0.00 H new ATOM 197 N GLY A 17 -4.883 7.568 2.479 1.00 0.00 N ATOM 198 CA GLY A 17 -5.613 8.582 1.714 1.00 0.00 C ATOM 199 C GLY A 17 -6.133 8.038 0.396 1.00 0.00 C ATOM 200 O GLY A 17 -6.332 8.792 -0.565 1.00 0.00 O ATOM 0 H GLY A 17 -5.455 7.064 3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.449 8.952 2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.958 9.432 1.522 1.00 0.00 H new ATOM 204 N LEU A 18 -6.343 6.706 0.370 1.00 0.00 N ATOM 205 CA LEU A 18 -6.910 5.985 -0.785 1.00 0.00 C ATOM 206 C LEU A 18 -8.319 6.518 -1.138 1.00 0.00 C ATOM 207 O LEU A 18 -9.082 6.880 -0.236 1.00 0.00 O ATOM 208 CB LEU A 18 -6.978 4.448 -0.491 1.00 0.00 C ATOM 209 CG LEU A 18 -5.630 3.662 -0.605 1.00 0.00 C ATOM 210 CD1 LEU A 18 -5.778 2.211 -0.090 1.00 0.00 C ATOM 211 CD2 LEU A 18 -5.104 3.689 -2.060 1.00 0.00 C ATOM 0 H LEU A 18 -6.121 6.097 1.157 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.255 6.155 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.371 4.309 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.695 3.999 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.897 4.159 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.824 1.693 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.082 2.226 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.533 1.691 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.166 3.137 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.838 3.228 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.937 4.721 -2.367 1.00 0.00 H new ATOM 223 N PRO A 19 -8.680 6.582 -2.464 1.00 0.00 N ATOM 224 CA PRO A 19 -10.058 6.898 -2.897 1.00 0.00 C ATOM 225 C PRO A 19 -10.995 5.681 -2.719 1.00 0.00 C ATOM 226 O PRO A 19 -10.537 4.581 -2.380 1.00 0.00 O ATOM 227 CB PRO A 19 -9.871 7.265 -4.391 1.00 0.00 C ATOM 228 CG PRO A 19 -8.710 6.426 -4.836 1.00 0.00 C ATOM 229 CD PRO A 19 -7.777 6.358 -3.636 1.00 0.00 C ATOM 0 HA PRO A 19 -10.524 7.695 -2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.767 7.043 -4.970 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.665 8.328 -4.517 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.037 5.431 -5.136 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.211 6.871 -5.697 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.275 5.392 -3.575 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.999 7.119 -3.692 1.00 0.00 H new ATOM 237 N TRP A 20 -12.298 5.885 -2.966 1.00 0.00 N ATOM 238 CA TRP A 20 -13.285 4.780 -3.011 1.00 0.00 C ATOM 239 C TRP A 20 -13.017 3.898 -4.251 1.00 0.00 C ATOM 240 O TRP A 20 -13.352 2.709 -4.281 1.00 0.00 O ATOM 241 CB TRP A 20 -14.739 5.326 -3.052 1.00 0.00 C ATOM 242 CG TRP A 20 -15.105 6.224 -1.898 1.00 0.00 C ATOM 243 CD1 TRP A 20 -15.179 7.590 -1.906 1.00 0.00 C ATOM 244 CD2 TRP A 20 -15.437 5.816 -0.556 1.00 0.00 C ATOM 245 NE1 TRP A 20 -15.556 8.049 -0.676 1.00 0.00 N ATOM 246 CE2 TRP A 20 -15.708 6.988 0.175 1.00 0.00 C ATOM 247 CE3 TRP A 20 -15.535 4.580 0.093 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -16.068 6.962 1.521 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -15.894 4.556 1.429 1.00 0.00 C ATOM 250 CH2 TRP A 20 -16.148 5.741 2.133 1.00 0.00 C ATOM 0 H TRP A 20 -12.700 6.806 -3.139 1.00 0.00 H new ATOM 0 HA TRP A 20 -13.176 4.183 -2.105 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -14.880 5.876 -3.982 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -15.429 4.483 -3.072 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -14.970 8.215 -2.761 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -15.701 9.028 -0.430 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -15.334 3.662 -0.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -16.276 7.873 2.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -15.980 3.608 1.938 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.412 5.689 3.179 1.00 0.00 H new ATOM 261 N SER A 21 -12.379 4.515 -5.265 1.00 0.00 N ATOM 262 CA SER A 21 -12.011 3.867 -6.534 1.00 0.00 C ATOM 263 C SER A 21 -10.704 3.046 -6.422 1.00 0.00 C ATOM 264 O SER A 21 -10.247 2.492 -7.435 1.00 0.00 O ATOM 265 CB SER A 21 -11.865 4.958 -7.619 1.00 0.00 C ATOM 266 OG SER A 21 -13.048 5.748 -7.710 1.00 0.00 O ATOM 0 H SER A 21 -12.101 5.495 -5.222 1.00 0.00 H new ATOM 0 HA SER A 21 -12.799 3.163 -6.800 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.014 5.597 -7.385 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.659 4.492 -8.583 1.00 0.00 H new ATOM 0 HG SER A 21 -12.932 6.433 -8.402 1.00 0.00 H new ATOM 272 N CYS A 22 -10.097 3.001 -5.204 1.00 0.00 N ATOM 273 CA CYS A 22 -8.859 2.228 -4.932 1.00 0.00 C ATOM 274 C CYS A 22 -8.934 0.770 -5.448 1.00 0.00 C ATOM 275 O CYS A 22 -9.869 0.021 -5.132 1.00 0.00 O ATOM 276 CB CYS A 22 -8.528 2.235 -3.419 1.00 0.00 C ATOM 277 SG CYS A 22 -9.793 1.493 -2.365 1.00 0.00 S ATOM 0 H CYS A 22 -10.453 3.499 -4.388 1.00 0.00 H new ATOM 0 HA CYS A 22 -8.060 2.725 -5.482 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -7.589 1.704 -3.264 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.368 3.265 -3.101 1.00 0.00 H new ATOM 0 HG CYS A 22 -10.602 2.418 -1.941 1.00 0.00 H new ATOM 283 N SER A 23 -7.931 0.416 -6.253 1.00 0.00 N ATOM 284 CA SER A 23 -7.758 -0.914 -6.842 1.00 0.00 C ATOM 285 C SER A 23 -6.268 -1.202 -6.945 1.00 0.00 C ATOM 286 O SER A 23 -5.449 -0.269 -6.908 1.00 0.00 O ATOM 287 CB SER A 23 -8.430 -0.999 -8.241 1.00 0.00 C ATOM 288 OG SER A 23 -8.284 -2.291 -8.823 1.00 0.00 O ATOM 0 H SER A 23 -7.193 1.067 -6.522 1.00 0.00 H new ATOM 0 HA SER A 23 -8.239 -1.658 -6.208 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.489 -0.760 -8.150 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.990 -0.252 -8.901 1.00 0.00 H new ATOM 0 HG SER A 23 -8.720 -2.306 -9.700 1.00 0.00 H new ATOM 294 N ALA A 24 -5.917 -2.490 -7.040 1.00 0.00 N ATOM 295 CA ALA A 24 -4.529 -2.929 -7.235 1.00 0.00 C ATOM 296 C ALA A 24 -3.907 -2.238 -8.464 1.00 0.00 C ATOM 297 O ALA A 24 -2.773 -1.771 -8.408 1.00 0.00 O ATOM 298 CB ALA A 24 -4.474 -4.454 -7.370 1.00 0.00 C ATOM 0 H ALA A 24 -6.587 -3.257 -6.984 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.943 -2.641 -6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.441 -4.769 -7.514 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.871 -4.914 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.071 -4.765 -8.227 1.00 0.00 H new ATOM 304 N ASP A 25 -4.700 -2.164 -9.547 1.00 0.00 N ATOM 305 CA ASP A 25 -4.362 -1.433 -10.784 1.00 0.00 C ATOM 306 C ASP A 25 -3.997 0.038 -10.522 1.00 0.00 C ATOM 307 O ASP A 25 -3.031 0.545 -11.086 1.00 0.00 O ATOM 308 CB ASP A 25 -5.553 -1.494 -11.765 1.00 0.00 C ATOM 309 CG ASP A 25 -5.928 -2.924 -12.157 1.00 0.00 C ATOM 310 OD1 ASP A 25 -6.694 -3.570 -11.409 1.00 0.00 O ATOM 311 OD2 ASP A 25 -5.456 -3.417 -13.205 1.00 0.00 O ATOM 0 H ASP A 25 -5.612 -2.619 -9.589 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.485 -1.918 -11.213 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.417 -1.009 -11.311 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.306 -0.929 -12.664 1.00 0.00 H new ATOM 316 N GLU A 26 -4.777 0.710 -9.660 1.00 0.00 N ATOM 317 CA GLU A 26 -4.567 2.137 -9.332 1.00 0.00 C ATOM 318 C GLU A 26 -3.258 2.332 -8.540 1.00 0.00 C ATOM 319 O GLU A 26 -2.554 3.323 -8.733 1.00 0.00 O ATOM 320 CB GLU A 26 -5.781 2.699 -8.540 1.00 0.00 C ATOM 321 CG GLU A 26 -7.152 2.484 -9.222 1.00 0.00 C ATOM 322 CD GLU A 26 -7.214 3.021 -10.664 1.00 0.00 C ATOM 323 OE1 GLU A 26 -7.443 4.236 -10.850 1.00 0.00 O ATOM 324 OE2 GLU A 26 -7.027 2.229 -11.621 1.00 0.00 O ATOM 0 H GLU A 26 -5.566 0.287 -9.172 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.481 2.693 -10.266 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.803 2.232 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.632 3.767 -8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.381 1.418 -9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.925 2.972 -8.628 1.00 0.00 H new ATOM 331 N VAL A 27 -2.941 1.367 -7.663 1.00 0.00 N ATOM 332 CA VAL A 27 -1.683 1.354 -6.891 1.00 0.00 C ATOM 333 C VAL A 27 -0.464 1.146 -7.832 1.00 0.00 C ATOM 334 O VAL A 27 0.594 1.758 -7.636 1.00 0.00 O ATOM 335 CB VAL A 27 -1.735 0.245 -5.778 1.00 0.00 C ATOM 336 CG1 VAL A 27 -0.420 0.181 -4.969 1.00 0.00 C ATOM 337 CG2 VAL A 27 -2.951 0.452 -4.838 1.00 0.00 C ATOM 0 H VAL A 27 -3.549 0.572 -7.467 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.566 2.321 -6.401 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.855 -0.713 -6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.497 -0.598 -4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.409 -0.046 -5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.243 1.142 -4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.961 -0.330 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.876 1.426 -4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.872 0.405 -5.419 1.00 0.00 H new ATOM 347 N GLN A 28 -0.652 0.297 -8.877 1.00 0.00 N ATOM 348 CA GLN A 28 0.351 0.077 -9.952 1.00 0.00 C ATOM 349 C GLN A 28 0.701 1.419 -10.629 1.00 0.00 C ATOM 350 O GLN A 28 1.872 1.812 -10.673 1.00 0.00 O ATOM 351 CB GLN A 28 -0.176 -0.929 -11.028 1.00 0.00 C ATOM 352 CG GLN A 28 -0.465 -2.364 -10.528 1.00 0.00 C ATOM 353 CD GLN A 28 0.794 -3.159 -10.214 1.00 0.00 C ATOM 354 OE1 GLN A 28 1.287 -3.059 -8.997 1.00 0.00 O flip ATOM 355 NE2 GLN A 28 1.345 -3.831 -11.081 1.00 0.00 N flip ATOM 0 H GLN A 28 -1.502 -0.253 -8.997 1.00 0.00 H new ATOM 0 HA GLN A 28 1.243 -0.349 -9.493 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.092 -0.524 -11.458 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.556 -0.986 -11.833 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.085 -2.311 -9.633 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.042 -2.895 -11.285 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.940 -3.890 -12.015 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.208 -4.331 -10.867 1.00 0.00 H new ATOM 364 N ARG A 29 -0.356 2.125 -11.094 1.00 0.00 N ATOM 365 CA ARG A 29 -0.252 3.436 -11.779 1.00 0.00 C ATOM 366 C ARG A 29 0.480 4.463 -10.905 1.00 0.00 C ATOM 367 O ARG A 29 1.384 5.165 -11.368 1.00 0.00 O ATOM 368 CB ARG A 29 -1.672 3.976 -12.124 1.00 0.00 C ATOM 369 CG ARG A 29 -2.537 3.050 -13.002 1.00 0.00 C ATOM 370 CD ARG A 29 -1.867 2.716 -14.338 1.00 0.00 C ATOM 371 NE ARG A 29 -2.664 1.760 -15.129 1.00 0.00 N ATOM 372 CZ ARG A 29 -2.295 1.224 -16.297 1.00 0.00 C ATOM 373 NH1 ARG A 29 -1.132 1.545 -16.860 1.00 0.00 N ATOM 374 NH2 ARG A 29 -3.103 0.369 -16.904 1.00 0.00 N ATOM 0 H ARG A 29 -1.317 1.796 -11.003 1.00 0.00 H new ATOM 0 HA ARG A 29 0.319 3.287 -12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.205 4.168 -11.193 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.564 4.934 -12.633 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.740 2.126 -12.460 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.499 3.527 -13.191 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.724 3.632 -14.912 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.877 2.298 -14.153 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.572 1.485 -14.754 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.509 2.208 -16.400 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.864 1.128 -17.751 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.998 0.125 -16.480 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.831 -0.045 -17.795 1.00 0.00 H new ATOM 388 N PHE A 30 0.083 4.512 -9.627 1.00 0.00 N ATOM 389 CA PHE A 30 0.615 5.435 -8.620 1.00 0.00 C ATOM 390 C PHE A 30 2.137 5.279 -8.432 1.00 0.00 C ATOM 391 O PHE A 30 2.856 6.267 -8.289 1.00 0.00 O ATOM 392 CB PHE A 30 -0.144 5.136 -7.302 1.00 0.00 C ATOM 393 CG PHE A 30 0.179 6.046 -6.133 1.00 0.00 C ATOM 394 CD1 PHE A 30 -0.470 7.263 -5.984 1.00 0.00 C ATOM 395 CD2 PHE A 30 1.128 5.685 -5.183 1.00 0.00 C ATOM 396 CE1 PHE A 30 -0.178 8.084 -4.931 1.00 0.00 C ATOM 397 CE2 PHE A 30 1.417 6.512 -4.130 1.00 0.00 C ATOM 398 CZ PHE A 30 0.770 7.714 -4.001 1.00 0.00 C ATOM 0 H PHE A 30 -0.638 3.893 -9.256 1.00 0.00 H new ATOM 0 HA PHE A 30 0.464 6.466 -8.939 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.214 5.196 -7.500 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.069 4.108 -7.008 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.213 7.565 -6.707 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.644 4.741 -5.277 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.693 9.028 -4.827 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.156 6.217 -3.400 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.002 8.368 -3.174 1.00 0.00 H new ATOM 408 N PHE A 31 2.602 4.022 -8.439 1.00 0.00 N ATOM 409 CA PHE A 31 4.025 3.685 -8.254 1.00 0.00 C ATOM 410 C PHE A 31 4.745 3.455 -9.598 1.00 0.00 C ATOM 411 O PHE A 31 5.678 2.639 -9.657 1.00 0.00 O ATOM 412 CB PHE A 31 4.161 2.429 -7.331 1.00 0.00 C ATOM 413 CG PHE A 31 3.862 2.702 -5.853 1.00 0.00 C ATOM 414 CD1 PHE A 31 4.785 3.387 -5.062 1.00 0.00 C ATOM 415 CD2 PHE A 31 2.676 2.279 -5.254 1.00 0.00 C ATOM 416 CE1 PHE A 31 4.529 3.640 -3.727 1.00 0.00 C ATOM 417 CE2 PHE A 31 2.426 2.533 -3.921 1.00 0.00 C ATOM 418 CZ PHE A 31 3.352 3.215 -3.156 1.00 0.00 C ATOM 0 H PHE A 31 2.003 3.207 -8.573 1.00 0.00 H new ATOM 0 HA PHE A 31 4.509 4.536 -7.775 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.485 1.653 -7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.174 2.035 -7.419 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.713 3.725 -5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.943 1.745 -5.841 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.255 4.173 -3.131 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.502 2.197 -3.474 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.153 3.414 -2.113 1.00 0.00 H new ATOM 428 N SER A 32 4.386 4.211 -10.667 1.00 0.00 N ATOM 429 CA SER A 32 5.113 4.125 -11.948 1.00 0.00 C ATOM 430 C SER A 32 6.432 4.933 -11.827 1.00 0.00 C ATOM 431 O SER A 32 6.519 6.102 -12.227 1.00 0.00 O ATOM 432 CB SER A 32 4.227 4.608 -13.122 1.00 0.00 C ATOM 433 OG SER A 32 3.819 5.949 -12.948 1.00 0.00 O ATOM 0 H SER A 32 3.611 4.874 -10.664 1.00 0.00 H new ATOM 0 HA SER A 32 5.363 3.087 -12.167 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.778 4.513 -14.058 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.349 3.968 -13.203 1.00 0.00 H new ATOM 0 HG SER A 32 4.557 6.468 -12.566 1.00 0.00 H new ATOM 439 N ASP A 33 7.443 4.259 -11.251 1.00 0.00 N ATOM 440 CA ASP A 33 8.706 4.844 -10.756 1.00 0.00 C ATOM 441 C ASP A 33 9.409 3.754 -9.948 1.00 0.00 C ATOM 442 O ASP A 33 10.504 3.295 -10.296 1.00 0.00 O ATOM 443 CB ASP A 33 8.480 6.107 -9.858 1.00 0.00 C ATOM 444 CG ASP A 33 9.776 6.676 -9.240 1.00 0.00 C ATOM 445 OD1 ASP A 33 10.726 6.955 -10.003 1.00 0.00 O ATOM 446 OD2 ASP A 33 9.839 6.859 -8.002 1.00 0.00 O ATOM 0 H ASP A 33 7.403 3.249 -11.111 1.00 0.00 H new ATOM 0 HA ASP A 33 9.302 5.179 -11.605 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.002 6.884 -10.455 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.788 5.851 -9.055 1.00 0.00 H new ATOM 451 N CYS A 34 8.719 3.339 -8.872 1.00 0.00 N ATOM 452 CA CYS A 34 9.059 2.150 -8.085 1.00 0.00 C ATOM 453 C CYS A 34 8.657 0.886 -8.875 1.00 0.00 C ATOM 454 O CYS A 34 8.143 0.984 -9.999 1.00 0.00 O ATOM 455 CB CYS A 34 8.300 2.202 -6.733 1.00 0.00 C ATOM 456 SG CYS A 34 8.418 3.786 -5.870 1.00 0.00 S ATOM 0 H CYS A 34 7.897 3.831 -8.522 1.00 0.00 H new ATOM 0 HA CYS A 34 10.131 2.122 -7.892 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.249 1.977 -6.912 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.688 1.418 -6.082 1.00 0.00 H new ATOM 0 HG CYS A 34 8.975 3.607 -4.709 1.00 0.00 H new ATOM 462 N LYS A 35 8.850 -0.304 -8.287 1.00 0.00 N ATOM 463 CA LYS A 35 8.284 -1.545 -8.843 1.00 0.00 C ATOM 464 C LYS A 35 7.840 -2.456 -7.693 1.00 0.00 C ATOM 465 O LYS A 35 8.601 -2.739 -6.747 1.00 0.00 O ATOM 466 CB LYS A 35 9.208 -2.290 -9.859 1.00 0.00 C ATOM 467 CG LYS A 35 10.498 -2.909 -9.298 1.00 0.00 C ATOM 468 CD LYS A 35 11.589 -1.878 -8.982 1.00 0.00 C ATOM 469 CE LYS A 35 12.118 -1.155 -10.228 1.00 0.00 C ATOM 470 NZ LYS A 35 13.243 -0.248 -9.907 1.00 0.00 N ATOM 0 H LYS A 35 9.390 -0.435 -7.432 1.00 0.00 H new ATOM 0 HA LYS A 35 7.421 -1.257 -9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.627 -3.084 -10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.483 -1.588 -10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.260 -3.463 -8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.888 -3.629 -10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.192 -1.141 -8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.418 -2.378 -8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.444 -1.891 -10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.311 -0.583 -10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.581 0.207 -10.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.922 0.481 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.018 -0.794 -9.478 1.00 0.00 H new ATOM 484 N ILE A 36 6.577 -2.863 -7.788 1.00 0.00 N ATOM 485 CA ILE A 36 5.901 -3.677 -6.787 1.00 0.00 C ATOM 486 C ILE A 36 6.210 -5.150 -7.106 1.00 0.00 C ATOM 487 O ILE A 36 6.003 -5.582 -8.244 1.00 0.00 O ATOM 488 CB ILE A 36 4.359 -3.359 -6.772 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.140 -1.813 -6.591 1.00 0.00 C ATOM 490 CG2 ILE A 36 3.639 -4.150 -5.661 1.00 0.00 C ATOM 491 CD1 ILE A 36 2.691 -1.348 -6.621 1.00 0.00 C ATOM 0 H ILE A 36 5.983 -2.629 -8.583 1.00 0.00 H new ATOM 0 HA ILE A 36 6.258 -3.454 -5.782 1.00 0.00 H new ATOM 0 HB ILE A 36 3.929 -3.669 -7.724 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.581 -1.510 -5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.687 -1.292 -7.377 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.576 -3.910 -5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.772 -5.218 -5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.059 -3.881 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.653 -0.267 -6.487 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.244 -1.611 -7.580 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.137 -1.833 -5.817 1.00 0.00 H new ATOM 503 N GLN A 37 6.681 -5.881 -6.068 1.00 0.00 N ATOM 504 CA GLN A 37 7.423 -7.162 -6.170 1.00 0.00 C ATOM 505 C GLN A 37 6.838 -8.147 -7.214 1.00 0.00 C ATOM 506 O GLN A 37 7.518 -8.483 -8.195 1.00 0.00 O ATOM 507 CB GLN A 37 7.510 -7.826 -4.763 1.00 0.00 C ATOM 508 CG GLN A 37 8.353 -9.120 -4.707 1.00 0.00 C ATOM 509 CD GLN A 37 8.571 -9.668 -3.296 1.00 0.00 C ATOM 510 OE1 GLN A 37 7.742 -9.488 -2.398 1.00 0.00 O ATOM 511 NE2 GLN A 37 9.704 -10.322 -3.084 1.00 0.00 N ATOM 0 H GLN A 37 6.550 -5.585 -5.101 1.00 0.00 H new ATOM 0 HA GLN A 37 8.422 -6.921 -6.533 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.930 -7.105 -4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.500 -8.052 -4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.864 -9.885 -5.310 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.324 -8.927 -5.163 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.368 -10.453 -3.847 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.912 -10.694 -2.157 1.00 0.00 H new ATOM 520 N ASN A 38 5.578 -8.589 -7.023 1.00 0.00 N ATOM 521 CA ASN A 38 4.900 -9.498 -7.979 1.00 0.00 C ATOM 522 C ASN A 38 3.672 -8.801 -8.598 1.00 0.00 C ATOM 523 O ASN A 38 2.617 -9.421 -8.813 1.00 0.00 O ATOM 524 CB ASN A 38 4.508 -10.829 -7.262 1.00 0.00 C ATOM 525 CG ASN A 38 5.682 -11.604 -6.630 1.00 0.00 C ATOM 526 OD1 ASN A 38 5.495 -12.322 -5.650 1.00 0.00 O ATOM 527 ND2 ASN A 38 6.888 -11.496 -7.183 1.00 0.00 N ATOM 0 H ASN A 38 5.007 -8.333 -6.217 1.00 0.00 H new ATOM 0 HA ASN A 38 5.583 -9.744 -8.792 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.781 -10.603 -6.482 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.011 -11.478 -7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.676 -12.014 -6.794 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.024 -10.895 -7.996 1.00 0.00 H new ATOM 534 N GLY A 39 3.848 -7.504 -8.922 1.00 0.00 N ATOM 535 CA GLY A 39 2.788 -6.685 -9.514 1.00 0.00 C ATOM 536 C GLY A 39 1.628 -6.459 -8.555 1.00 0.00 C ATOM 537 O GLY A 39 1.853 -6.089 -7.397 1.00 0.00 O ATOM 0 H GLY A 39 4.725 -7.004 -8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.201 -5.722 -9.814 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.420 -7.170 -10.418 1.00 0.00 H new ATOM 541 N ALA A 40 0.391 -6.709 -9.027 1.00 0.00 N ATOM 542 CA ALA A 40 -0.834 -6.596 -8.203 1.00 0.00 C ATOM 543 C ALA A 40 -0.878 -7.610 -7.029 1.00 0.00 C ATOM 544 O ALA A 40 -1.688 -7.454 -6.107 1.00 0.00 O ATOM 545 CB ALA A 40 -2.079 -6.727 -9.101 1.00 0.00 C ATOM 0 H ALA A 40 0.210 -6.995 -9.989 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.823 -5.610 -7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.978 -6.643 -8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.073 -5.934 -9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.068 -7.696 -9.599 1.00 0.00 H new ATOM 551 N GLN A 41 -0.001 -8.638 -7.064 1.00 0.00 N ATOM 552 CA GLN A 41 0.109 -9.637 -5.973 1.00 0.00 C ATOM 553 C GLN A 41 0.900 -9.078 -4.772 1.00 0.00 C ATOM 554 O GLN A 41 0.747 -9.563 -3.648 1.00 0.00 O ATOM 555 CB GLN A 41 0.778 -10.935 -6.501 1.00 0.00 C ATOM 556 CG GLN A 41 -0.026 -11.685 -7.585 1.00 0.00 C ATOM 557 CD GLN A 41 -1.338 -12.275 -7.060 1.00 0.00 C ATOM 558 OE1 GLN A 41 -1.372 -13.413 -6.591 1.00 0.00 O ATOM 559 NE2 GLN A 41 -2.420 -11.506 -7.124 1.00 0.00 N ATOM 0 H GLN A 41 0.644 -8.799 -7.838 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.899 -9.869 -5.629 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.758 -10.683 -6.905 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.944 -11.609 -5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.245 -11.001 -8.405 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.588 -12.487 -7.994 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.356 -10.568 -7.519 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.314 -11.854 -6.778 1.00 0.00 H new ATOM 568 N GLY A 42 1.727 -8.041 -5.016 1.00 0.00 N ATOM 569 CA GLY A 42 2.485 -7.372 -3.947 1.00 0.00 C ATOM 570 C GLY A 42 1.736 -6.186 -3.349 1.00 0.00 C ATOM 571 O GLY A 42 2.347 -5.226 -2.873 1.00 0.00 O ATOM 0 H GLY A 42 1.885 -7.651 -5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.706 -8.092 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.441 -7.030 -4.344 1.00 0.00 H new ATOM 575 N ILE A 43 0.399 -6.261 -3.384 1.00 0.00 N ATOM 576 CA ILE A 43 -0.500 -5.199 -2.912 1.00 0.00 C ATOM 577 C ILE A 43 -1.510 -5.822 -1.945 1.00 0.00 C ATOM 578 O ILE A 43 -2.187 -6.798 -2.290 1.00 0.00 O ATOM 579 CB ILE A 43 -1.246 -4.490 -4.104 1.00 0.00 C ATOM 580 CG1 ILE A 43 -0.223 -3.956 -5.150 1.00 0.00 C ATOM 581 CG2 ILE A 43 -2.164 -3.348 -3.593 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.846 -3.355 -6.393 1.00 0.00 C ATOM 0 H ILE A 43 -0.097 -7.075 -3.747 1.00 0.00 H new ATOM 0 HA ILE A 43 0.089 -4.432 -2.408 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.880 -5.230 -4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.404 -3.202 -4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.433 -4.774 -5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.665 -2.878 -4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.910 -3.758 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.563 -2.605 -3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.059 -3.010 -7.064 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.449 -4.109 -6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.478 -2.513 -6.112 1.00 0.00 H new ATOM 594 N ARG A 44 -1.617 -5.231 -0.754 1.00 0.00 N ATOM 595 CA ARG A 44 -2.335 -5.828 0.375 1.00 0.00 C ATOM 596 C ARG A 44 -3.291 -4.800 0.992 1.00 0.00 C ATOM 597 O ARG A 44 -2.880 -3.988 1.809 1.00 0.00 O ATOM 598 CB ARG A 44 -1.284 -6.319 1.423 1.00 0.00 C ATOM 599 CG ARG A 44 -1.701 -7.567 2.205 1.00 0.00 C ATOM 600 CD ARG A 44 -1.706 -8.831 1.322 1.00 0.00 C ATOM 601 NE ARG A 44 -0.371 -9.109 0.754 1.00 0.00 N ATOM 602 CZ ARG A 44 -0.018 -10.221 0.096 1.00 0.00 C ATOM 603 NH1 ARG A 44 -0.885 -11.193 -0.145 1.00 0.00 N ATOM 604 NH2 ARG A 44 1.218 -10.337 -0.345 1.00 0.00 N ATOM 0 H ARG A 44 -1.207 -4.321 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.933 -6.675 0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.346 -6.525 0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.089 -5.512 2.129 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.019 -7.714 3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.695 -7.415 2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.035 -9.686 1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.426 -8.707 0.513 1.00 0.00 H new ATOM 0 HE ARG A 44 0.344 -8.392 0.873 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.850 -11.106 0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.587 -12.029 -0.649 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.890 -9.587 -0.183 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.503 -11.177 -0.848 1.00 0.00 H new ATOM 618 N PHE A 45 -4.567 -4.838 0.601 1.00 0.00 N ATOM 619 CA PHE A 45 -5.583 -3.890 1.115 1.00 0.00 C ATOM 620 C PHE A 45 -6.064 -4.329 2.503 1.00 0.00 C ATOM 621 O PHE A 45 -6.308 -5.520 2.734 1.00 0.00 O ATOM 622 CB PHE A 45 -6.784 -3.774 0.132 1.00 0.00 C ATOM 623 CG PHE A 45 -6.412 -3.152 -1.207 1.00 0.00 C ATOM 624 CD1 PHE A 45 -6.323 -1.765 -1.343 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.134 -3.944 -2.320 1.00 0.00 C ATOM 626 CE1 PHE A 45 -5.967 -1.193 -2.543 1.00 0.00 C ATOM 627 CE2 PHE A 45 -5.781 -3.369 -3.521 1.00 0.00 C ATOM 628 CZ PHE A 45 -5.695 -1.992 -3.632 1.00 0.00 C ATOM 0 H PHE A 45 -4.931 -5.513 -0.071 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.121 -2.906 1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.200 -4.767 -0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.568 -3.176 0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.537 -1.132 -0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.196 -5.019 -2.240 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.901 -0.119 -2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.571 -3.993 -4.377 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.414 -1.543 -4.573 1.00 0.00 H new ATOM 638 N ILE A 46 -6.158 -3.372 3.436 1.00 0.00 N ATOM 639 CA ILE A 46 -6.737 -3.603 4.755 1.00 0.00 C ATOM 640 C ILE A 46 -8.243 -3.387 4.640 1.00 0.00 C ATOM 641 O ILE A 46 -8.683 -2.278 4.337 1.00 0.00 O ATOM 642 CB ILE A 46 -6.108 -2.623 5.820 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.560 -2.824 5.898 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.772 -2.772 7.213 1.00 0.00 C ATOM 645 CD1 ILE A 46 -4.124 -4.237 6.224 1.00 0.00 C ATOM 0 H ILE A 46 -5.833 -2.416 3.292 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.526 -4.618 5.091 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.305 -1.603 5.490 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.120 -2.533 4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.157 -2.150 6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.307 -2.078 7.914 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.836 -2.550 7.134 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.640 -3.793 7.572 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.036 -4.283 6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.530 -4.529 7.193 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.493 -4.918 5.457 1.00 0.00 H new ATOM 657 N TYR A 47 -9.016 -4.466 4.814 1.00 0.00 N ATOM 658 CA TYR A 47 -10.478 -4.417 4.755 1.00 0.00 C ATOM 659 C TYR A 47 -11.037 -4.282 6.170 1.00 0.00 C ATOM 660 O TYR A 47 -10.329 -4.510 7.157 1.00 0.00 O ATOM 661 CB TYR A 47 -11.055 -5.690 4.083 1.00 0.00 C ATOM 662 CG TYR A 47 -10.584 -5.913 2.641 1.00 0.00 C ATOM 663 CD1 TYR A 47 -9.362 -6.535 2.374 1.00 0.00 C ATOM 664 CD2 TYR A 47 -11.348 -5.493 1.551 1.00 0.00 C ATOM 665 CE1 TYR A 47 -8.919 -6.719 1.086 1.00 0.00 C ATOM 666 CE2 TYR A 47 -10.907 -5.682 0.256 1.00 0.00 C ATOM 667 CZ TYR A 47 -9.692 -6.293 0.029 1.00 0.00 C ATOM 668 OH TYR A 47 -9.238 -6.471 -1.259 1.00 0.00 O ATOM 0 H TYR A 47 -8.643 -5.397 5.000 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.771 -3.555 4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.779 -6.559 4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -12.143 -5.629 4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.753 -6.878 3.197 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.300 -5.012 1.723 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.968 -7.196 0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.512 -5.352 -0.576 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.899 -6.118 -1.891 1.00 0.00 H new ATOM 678 N THR A 48 -12.312 -3.908 6.241 1.00 0.00 N ATOM 679 CA THR A 48 -13.081 -3.828 7.480 1.00 0.00 C ATOM 680 C THR A 48 -14.093 -4.977 7.510 1.00 0.00 C ATOM 681 O THR A 48 -14.267 -5.690 6.508 1.00 0.00 O ATOM 682 CB THR A 48 -13.820 -2.453 7.565 1.00 0.00 C ATOM 683 OG1 THR A 48 -14.708 -2.298 6.433 1.00 0.00 O ATOM 684 CG2 THR A 48 -12.831 -1.270 7.624 1.00 0.00 C ATOM 0 H THR A 48 -12.853 -3.645 5.417 1.00 0.00 H new ATOM 0 HA THR A 48 -12.411 -3.910 8.335 1.00 0.00 H new ATOM 0 HB THR A 48 -14.398 -2.446 8.489 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.179 -2.202 5.613 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.386 -0.334 7.682 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.196 -1.370 8.504 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.211 -1.269 6.727 1.00 0.00 H new ATOM 692 N ARG A 49 -14.783 -5.138 8.652 1.00 0.00 N ATOM 693 CA ARG A 49 -15.809 -6.187 8.826 1.00 0.00 C ATOM 694 C ARG A 49 -17.144 -5.835 8.109 1.00 0.00 C ATOM 695 O ARG A 49 -18.103 -6.599 8.181 1.00 0.00 O ATOM 696 CB ARG A 49 -15.988 -6.542 10.343 1.00 0.00 C ATOM 697 CG ARG A 49 -16.112 -5.358 11.341 1.00 0.00 C ATOM 698 CD ARG A 49 -17.457 -4.623 11.264 1.00 0.00 C ATOM 699 NE ARG A 49 -18.599 -5.524 11.488 1.00 0.00 N ATOM 700 CZ ARG A 49 -19.800 -5.425 10.899 1.00 0.00 C ATOM 701 NH1 ARG A 49 -20.076 -4.438 10.047 1.00 0.00 N ATOM 702 NH2 ARG A 49 -20.726 -6.327 11.154 1.00 0.00 N ATOM 0 H ARG A 49 -14.649 -4.551 9.476 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.455 -7.091 8.331 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -16.879 -7.161 10.442 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.139 -7.154 10.649 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.971 -5.733 12.355 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.308 -4.647 11.149 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -17.476 -3.825 12.006 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -17.555 -4.151 10.286 1.00 0.00 H new ATOM 0 HE ARG A 49 -18.466 -6.290 12.148 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -19.367 -3.738 9.831 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -20.997 -4.383 9.611 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -20.527 -7.094 11.796 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -21.641 -6.258 10.710 1.00 0.00 H new ATOM 716 N GLU A 50 -17.183 -4.672 7.414 1.00 0.00 N ATOM 717 CA GLU A 50 -18.266 -4.316 6.461 1.00 0.00 C ATOM 718 C GLU A 50 -17.973 -4.901 5.056 1.00 0.00 C ATOM 719 O GLU A 50 -18.820 -4.817 4.163 1.00 0.00 O ATOM 720 CB GLU A 50 -18.425 -2.763 6.345 1.00 0.00 C ATOM 721 CG GLU A 50 -19.012 -2.041 7.587 1.00 0.00 C ATOM 722 CD GLU A 50 -18.104 -1.996 8.832 1.00 0.00 C ATOM 723 OE1 GLU A 50 -16.869 -2.110 8.705 1.00 0.00 O ATOM 724 OE2 GLU A 50 -18.628 -1.835 9.954 1.00 0.00 O ATOM 0 H GLU A 50 -16.464 -3.953 7.498 1.00 0.00 H new ATOM 0 HA GLU A 50 -19.193 -4.742 6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.447 -2.333 6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -19.064 -2.547 5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -19.260 -1.018 7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.946 -2.531 7.860 1.00 0.00 H new ATOM 731 N GLY A 51 -16.778 -5.494 4.881 1.00 0.00 N ATOM 732 CA GLY A 51 -16.343 -6.038 3.585 1.00 0.00 C ATOM 733 C GLY A 51 -15.854 -4.961 2.616 1.00 0.00 C ATOM 734 O GLY A 51 -16.001 -5.098 1.397 1.00 0.00 O ATOM 0 H GLY A 51 -16.093 -5.608 5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.543 -6.760 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.171 -6.580 3.129 1.00 0.00 H new ATOM 738 N ARG A 52 -15.250 -3.901 3.174 1.00 0.00 N ATOM 739 CA ARG A 52 -14.782 -2.722 2.402 1.00 0.00 C ATOM 740 C ARG A 52 -13.357 -2.284 2.843 1.00 0.00 C ATOM 741 O ARG A 52 -13.063 -2.314 4.034 1.00 0.00 O ATOM 742 CB ARG A 52 -15.818 -1.544 2.554 1.00 0.00 C ATOM 743 CG ARG A 52 -16.820 -1.398 1.379 1.00 0.00 C ATOM 744 CD ARG A 52 -16.090 -1.122 0.054 1.00 0.00 C ATOM 745 NE ARG A 52 -16.986 -0.843 -1.073 1.00 0.00 N ATOM 746 CZ ARG A 52 -16.577 -0.423 -2.285 1.00 0.00 C ATOM 747 NH1 ARG A 52 -15.288 -0.182 -2.529 1.00 0.00 N ATOM 748 NH2 ARG A 52 -17.466 -0.229 -3.246 1.00 0.00 N ATOM 0 H ARG A 52 -15.068 -3.830 4.175 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.717 -2.997 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.381 -1.692 3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.269 -0.609 2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -17.412 -2.309 1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -17.515 -0.585 1.590 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.419 -0.274 0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.469 -1.983 -0.193 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.987 -0.976 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.596 -0.315 -1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.995 0.136 -3.453 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.456 -0.398 -3.067 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.161 0.089 -4.166 1.00 0.00 H new ATOM 762 N PRO A 53 -12.443 -1.885 1.878 1.00 0.00 N ATOM 763 CA PRO A 53 -11.121 -1.297 2.214 1.00 0.00 C ATOM 764 C PRO A 53 -11.252 -0.020 3.077 1.00 0.00 C ATOM 765 O PRO A 53 -12.068 0.860 2.778 1.00 0.00 O ATOM 766 CB PRO A 53 -10.479 -0.991 0.828 1.00 0.00 C ATOM 767 CG PRO A 53 -11.187 -1.907 -0.124 1.00 0.00 C ATOM 768 CD PRO A 53 -12.606 -2.017 0.402 1.00 0.00 C ATOM 0 HA PRO A 53 -10.514 -1.973 2.816 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.616 0.054 0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.406 -1.181 0.837 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.174 -1.506 -1.138 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.705 -2.884 -0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -13.246 -1.233 -0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.061 -2.970 0.132 1.00 0.00 H new ATOM 776 N SER A 54 -10.434 0.057 4.136 1.00 0.00 N ATOM 777 CA SER A 54 -10.495 1.120 5.151 1.00 0.00 C ATOM 778 C SER A 54 -10.044 2.469 4.564 1.00 0.00 C ATOM 779 O SER A 54 -10.679 3.506 4.776 1.00 0.00 O ATOM 780 CB SER A 54 -9.591 0.719 6.340 1.00 0.00 C ATOM 781 OG SER A 54 -8.263 0.466 5.905 1.00 0.00 O ATOM 0 H SER A 54 -9.700 -0.628 4.315 1.00 0.00 H new ATOM 0 HA SER A 54 -11.524 1.238 5.490 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.588 1.515 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.994 -0.170 6.825 1.00 0.00 H new ATOM 0 HG SER A 54 -7.709 0.216 6.674 1.00 0.00 H new ATOM 787 N GLY A 55 -8.943 2.413 3.811 1.00 0.00 N ATOM 788 CA GLY A 55 -8.268 3.595 3.275 1.00 0.00 C ATOM 789 C GLY A 55 -6.754 3.460 3.387 1.00 0.00 C ATOM 790 O GLY A 55 -6.003 4.289 2.854 1.00 0.00 O ATOM 0 H GLY A 55 -8.491 1.535 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.547 3.735 2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.598 4.482 3.815 1.00 0.00 H new ATOM 794 N GLU A 56 -6.317 2.419 4.126 1.00 0.00 N ATOM 795 CA GLU A 56 -4.909 2.001 4.225 1.00 0.00 C ATOM 796 C GLU A 56 -4.696 0.674 3.474 1.00 0.00 C ATOM 797 O GLU A 56 -5.603 -0.164 3.381 1.00 0.00 O ATOM 798 CB GLU A 56 -4.488 1.851 5.712 1.00 0.00 C ATOM 799 CG GLU A 56 -4.576 3.160 6.522 1.00 0.00 C ATOM 800 CD GLU A 56 -4.081 3.009 7.969 1.00 0.00 C ATOM 801 OE1 GLU A 56 -2.852 2.918 8.177 1.00 0.00 O ATOM 802 OE2 GLU A 56 -4.916 2.972 8.904 1.00 0.00 O ATOM 0 H GLU A 56 -6.946 1.837 4.679 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.286 2.769 3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.121 1.100 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.465 1.478 5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.988 3.930 6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.610 3.505 6.532 1.00 0.00 H new ATOM 809 N ALA A 57 -3.490 0.518 2.930 1.00 0.00 N ATOM 810 CA ALA A 57 -3.035 -0.707 2.258 1.00 0.00 C ATOM 811 C ALA A 57 -1.517 -0.797 2.403 1.00 0.00 C ATOM 812 O ALA A 57 -0.871 0.224 2.522 1.00 0.00 O ATOM 813 CB ALA A 57 -3.437 -0.701 0.767 1.00 0.00 C ATOM 0 H ALA A 57 -2.784 1.254 2.942 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.507 -1.575 2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.089 -1.618 0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.522 -0.638 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.985 0.158 0.272 1.00 0.00 H new ATOM 819 N PHE A 58 -0.953 -2.002 2.398 1.00 0.00 N ATOM 820 CA PHE A 58 0.500 -2.212 2.448 1.00 0.00 C ATOM 821 C PHE A 58 0.995 -2.637 1.058 1.00 0.00 C ATOM 822 O PHE A 58 0.465 -3.577 0.456 1.00 0.00 O ATOM 823 CB PHE A 58 0.854 -3.288 3.500 1.00 0.00 C ATOM 824 CG PHE A 58 0.583 -2.867 4.946 1.00 0.00 C ATOM 825 CD1 PHE A 58 1.559 -2.206 5.688 1.00 0.00 C ATOM 826 CD2 PHE A 58 -0.636 -3.135 5.561 1.00 0.00 C ATOM 827 CE1 PHE A 58 1.321 -1.823 6.994 1.00 0.00 C ATOM 828 CE2 PHE A 58 -0.870 -2.753 6.869 1.00 0.00 C ATOM 829 CZ PHE A 58 0.109 -2.096 7.583 1.00 0.00 C ATOM 0 H PHE A 58 -1.490 -2.868 2.359 1.00 0.00 H new ATOM 0 HA PHE A 58 0.990 -1.283 2.738 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.284 -4.192 3.284 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.909 -3.544 3.400 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.516 -1.990 5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.410 -3.648 5.009 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.088 -1.308 7.553 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.821 -2.970 7.332 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.076 -1.796 8.604 1.00 0.00 H new ATOM 839 N VAL A 59 1.996 -1.918 0.547 1.00 0.00 N ATOM 840 CA VAL A 59 2.620 -2.198 -0.749 1.00 0.00 C ATOM 841 C VAL A 59 3.995 -2.807 -0.508 1.00 0.00 C ATOM 842 O VAL A 59 4.725 -2.378 0.384 1.00 0.00 O ATOM 843 CB VAL A 59 2.707 -0.886 -1.605 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.477 -1.087 -2.936 1.00 0.00 C ATOM 845 CG2 VAL A 59 1.287 -0.335 -1.858 1.00 0.00 C ATOM 0 H VAL A 59 2.402 -1.115 1.027 1.00 0.00 H new ATOM 0 HA VAL A 59 2.016 -2.909 -1.313 1.00 0.00 H new ATOM 0 HB VAL A 59 3.281 -0.156 -1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.505 -0.146 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.495 -1.413 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.973 -1.844 -3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.351 0.576 -2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.699 -1.079 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.808 -0.113 -0.905 1.00 0.00 H new ATOM 855 N GLU A 60 4.360 -3.761 -1.358 1.00 0.00 N ATOM 856 CA GLU A 60 5.505 -4.644 -1.157 1.00 0.00 C ATOM 857 C GLU A 60 6.396 -4.481 -2.386 1.00 0.00 C ATOM 858 O GLU A 60 5.949 -4.727 -3.503 1.00 0.00 O ATOM 859 CB GLU A 60 5.000 -6.097 -0.985 1.00 0.00 C ATOM 860 CG GLU A 60 4.109 -6.302 0.266 1.00 0.00 C ATOM 861 CD GLU A 60 3.325 -7.617 0.244 1.00 0.00 C ATOM 862 OE1 GLU A 60 3.950 -8.697 0.371 1.00 0.00 O ATOM 863 OE2 GLU A 60 2.090 -7.582 0.072 1.00 0.00 O ATOM 0 H GLU A 60 3.857 -3.947 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 60 6.074 -4.399 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.436 -6.384 -1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.858 -6.766 -0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.735 -6.276 1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.408 -5.471 0.344 1.00 0.00 H new ATOM 870 N LEU A 61 7.642 -4.045 -2.173 1.00 0.00 N ATOM 871 CA LEU A 61 8.523 -3.538 -3.250 1.00 0.00 C ATOM 872 C LEU A 61 9.769 -4.422 -3.394 1.00 0.00 C ATOM 873 O LEU A 61 10.097 -5.188 -2.487 1.00 0.00 O ATOM 874 CB LEU A 61 8.889 -2.057 -2.933 1.00 0.00 C ATOM 875 CG LEU A 61 7.669 -1.066 -2.896 1.00 0.00 C ATOM 876 CD1 LEU A 61 8.025 0.272 -2.230 1.00 0.00 C ATOM 877 CD2 LEU A 61 7.106 -0.835 -4.316 1.00 0.00 C ATOM 0 H LEU A 61 8.076 -4.030 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 61 8.005 -3.575 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.396 -2.022 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.601 -1.706 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 61 6.897 -1.534 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.150 0.922 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.346 0.094 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.832 0.751 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.263 -0.146 -4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.884 -0.411 -4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.774 -1.785 -4.735 1.00 0.00 H new ATOM 889 N GLU A 62 10.442 -4.325 -4.556 1.00 0.00 N ATOM 890 CA GLU A 62 11.658 -5.118 -4.859 1.00 0.00 C ATOM 891 C GLU A 62 12.819 -4.855 -3.882 1.00 0.00 C ATOM 892 O GLU A 62 13.611 -5.765 -3.618 1.00 0.00 O ATOM 893 CB GLU A 62 12.116 -4.882 -6.328 1.00 0.00 C ATOM 894 CG GLU A 62 11.405 -5.778 -7.359 1.00 0.00 C ATOM 895 CD GLU A 62 11.684 -7.274 -7.131 1.00 0.00 C ATOM 896 OE1 GLU A 62 12.850 -7.699 -7.303 1.00 0.00 O ATOM 897 OE2 GLU A 62 10.760 -8.029 -6.774 1.00 0.00 O ATOM 0 H GLU A 62 10.163 -3.699 -5.311 1.00 0.00 H new ATOM 0 HA GLU A 62 11.380 -6.164 -4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.942 -3.838 -6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.191 -5.052 -6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.331 -5.600 -7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.729 -5.500 -8.362 1.00 0.00 H new ATOM 904 N SER A 63 12.889 -3.639 -3.333 1.00 0.00 N ATOM 905 CA SER A 63 13.997 -3.233 -2.462 1.00 0.00 C ATOM 906 C SER A 63 13.597 -2.024 -1.612 1.00 0.00 C ATOM 907 O SER A 63 12.566 -1.386 -1.867 1.00 0.00 O ATOM 908 CB SER A 63 15.248 -2.922 -3.313 1.00 0.00 C ATOM 909 OG SER A 63 14.971 -1.938 -4.295 1.00 0.00 O ATOM 0 H SER A 63 12.186 -2.914 -3.477 1.00 0.00 H new ATOM 0 HA SER A 63 14.235 -4.053 -1.785 1.00 0.00 H new ATOM 0 HB2 SER A 63 16.054 -2.576 -2.666 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.597 -3.834 -3.797 1.00 0.00 H new ATOM 0 HG SER A 63 15.781 -1.760 -4.817 1.00 0.00 H new ATOM 915 N GLU A 64 14.417 -1.724 -0.594 1.00 0.00 N ATOM 916 CA GLU A 64 14.195 -0.587 0.310 1.00 0.00 C ATOM 917 C GLU A 64 14.501 0.754 -0.390 1.00 0.00 C ATOM 918 O GLU A 64 14.079 1.814 0.071 1.00 0.00 O ATOM 919 CB GLU A 64 15.053 -0.745 1.582 1.00 0.00 C ATOM 920 CG GLU A 64 14.728 0.272 2.700 1.00 0.00 C ATOM 921 CD GLU A 64 15.671 0.237 3.907 1.00 0.00 C ATOM 922 OE1 GLU A 64 16.859 -0.122 3.751 1.00 0.00 O ATOM 923 OE2 GLU A 64 15.234 0.605 5.016 1.00 0.00 O ATOM 0 H GLU A 64 15.254 -2.264 -0.374 1.00 0.00 H new ATOM 0 HA GLU A 64 13.143 -0.579 0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.918 -1.753 1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.104 -0.646 1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.746 1.275 2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.711 0.092 3.048 1.00 0.00 H new ATOM 930 N ASP A 65 15.239 0.697 -1.501 1.00 0.00 N ATOM 931 CA ASP A 65 15.486 1.871 -2.352 1.00 0.00 C ATOM 932 C ASP A 65 14.161 2.349 -2.963 1.00 0.00 C ATOM 933 O ASP A 65 13.876 3.548 -3.000 1.00 0.00 O ATOM 934 CB ASP A 65 16.515 1.518 -3.449 1.00 0.00 C ATOM 935 CG ASP A 65 16.917 2.714 -4.329 1.00 0.00 C ATOM 936 OD1 ASP A 65 17.621 3.615 -3.830 1.00 0.00 O ATOM 937 OD2 ASP A 65 16.534 2.764 -5.519 1.00 0.00 O ATOM 0 H ASP A 65 15.682 -0.158 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 65 15.899 2.682 -1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.409 1.108 -2.978 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.102 0.734 -4.084 1.00 0.00 H new ATOM 942 N GLU A 66 13.379 1.377 -3.451 1.00 0.00 N ATOM 943 CA GLU A 66 11.999 1.604 -3.921 1.00 0.00 C ATOM 944 C GLU A 66 11.075 2.122 -2.793 1.00 0.00 C ATOM 945 O GLU A 66 10.118 2.845 -3.063 1.00 0.00 O ATOM 946 CB GLU A 66 11.416 0.303 -4.537 1.00 0.00 C ATOM 947 CG GLU A 66 12.336 -0.411 -5.550 1.00 0.00 C ATOM 948 CD GLU A 66 12.897 0.523 -6.638 1.00 0.00 C ATOM 949 OE1 GLU A 66 12.102 1.043 -7.439 1.00 0.00 O ATOM 950 OE2 GLU A 66 14.132 0.711 -6.713 1.00 0.00 O ATOM 0 H GLU A 66 13.683 0.407 -3.533 1.00 0.00 H new ATOM 0 HA GLU A 66 12.043 2.378 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.184 -0.391 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.475 0.543 -5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.166 -0.870 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.780 -1.218 -6.027 1.00 0.00 H new ATOM 957 N VAL A 67 11.356 1.711 -1.542 1.00 0.00 N ATOM 958 CA VAL A 67 10.646 2.206 -0.336 1.00 0.00 C ATOM 959 C VAL A 67 10.931 3.701 -0.118 1.00 0.00 C ATOM 960 O VAL A 67 10.044 4.454 0.259 1.00 0.00 O ATOM 961 CB VAL A 67 11.050 1.344 0.929 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.747 2.041 2.281 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.388 -0.051 0.863 1.00 0.00 C ATOM 0 H VAL A 67 12.082 1.025 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 67 9.572 2.096 -0.486 1.00 0.00 H new ATOM 0 HB VAL A 67 12.134 1.231 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.050 1.391 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.299 2.979 2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.678 2.243 2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.675 -0.632 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.304 0.061 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.717 -0.568 -0.039 1.00 0.00 H new ATOM 973 N LYS A 68 12.187 4.096 -0.331 1.00 0.00 N ATOM 974 CA LYS A 68 12.615 5.515 -0.282 1.00 0.00 C ATOM 975 C LYS A 68 11.953 6.344 -1.412 1.00 0.00 C ATOM 976 O LYS A 68 11.579 7.503 -1.198 1.00 0.00 O ATOM 977 CB LYS A 68 14.164 5.583 -0.338 1.00 0.00 C ATOM 978 CG LYS A 68 14.855 4.809 0.820 1.00 0.00 C ATOM 979 CD LYS A 68 16.362 4.563 0.580 1.00 0.00 C ATOM 980 CE LYS A 68 16.997 3.647 1.645 1.00 0.00 C ATOM 981 NZ LYS A 68 18.412 3.326 1.324 1.00 0.00 N ATOM 0 H LYS A 68 12.946 3.448 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 68 12.283 5.960 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.504 5.178 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.477 6.627 -0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.729 5.368 1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.355 3.850 0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.500 4.117 -0.405 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.885 5.520 0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.947 4.133 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.423 2.724 1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.804 2.708 2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.458 2.840 0.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.966 4.205 1.278 1.00 0.00 H new ATOM 995 N LEU A 69 11.814 5.733 -2.611 1.00 0.00 N ATOM 996 CA LEU A 69 11.058 6.318 -3.751 1.00 0.00 C ATOM 997 C LEU A 69 9.545 6.431 -3.426 1.00 0.00 C ATOM 998 O LEU A 69 8.850 7.314 -3.929 1.00 0.00 O ATOM 999 CB LEU A 69 11.265 5.457 -5.023 1.00 0.00 C ATOM 1000 CG LEU A 69 12.714 5.424 -5.599 1.00 0.00 C ATOM 1001 CD1 LEU A 69 12.832 4.390 -6.738 1.00 0.00 C ATOM 1002 CD2 LEU A 69 13.153 6.831 -6.066 1.00 0.00 C ATOM 0 H LEU A 69 12.221 4.821 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 69 11.441 7.323 -3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.961 4.434 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.595 5.825 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 69 13.390 5.114 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.852 4.387 -7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.585 3.399 -6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.143 4.653 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.167 6.783 -6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.475 7.185 -6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.127 7.519 -5.221 1.00 0.00 H new ATOM 1014 N ALA A 70 9.068 5.483 -2.619 1.00 0.00 N ATOM 1015 CA ALA A 70 7.698 5.499 -2.080 1.00 0.00 C ATOM 1016 C ALA A 70 7.528 6.648 -1.055 1.00 0.00 C ATOM 1017 O ALA A 70 6.520 7.352 -1.066 1.00 0.00 O ATOM 1018 CB ALA A 70 7.354 4.134 -1.467 1.00 0.00 C ATOM 0 H ALA A 70 9.618 4.679 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 70 6.998 5.685 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.338 4.158 -1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.427 3.362 -2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.052 3.911 -0.660 1.00 0.00 H new ATOM 1024 N LEU A 71 8.544 6.826 -0.183 1.00 0.00 N ATOM 1025 CA LEU A 71 8.566 7.891 0.847 1.00 0.00 C ATOM 1026 C LEU A 71 8.540 9.297 0.228 1.00 0.00 C ATOM 1027 O LEU A 71 7.843 10.161 0.728 1.00 0.00 O ATOM 1028 CB LEU A 71 9.800 7.729 1.786 1.00 0.00 C ATOM 1029 CG LEU A 71 9.777 6.486 2.727 1.00 0.00 C ATOM 1030 CD1 LEU A 71 11.070 6.387 3.571 1.00 0.00 C ATOM 1031 CD2 LEU A 71 8.511 6.509 3.610 1.00 0.00 C ATOM 0 H LEU A 71 9.375 6.234 -0.172 1.00 0.00 H new ATOM 0 HA LEU A 71 7.658 7.780 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.698 7.678 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.885 8.625 2.401 1.00 0.00 H new ATOM 0 HG LEU A 71 9.741 5.588 2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.018 5.509 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.931 6.301 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.173 7.281 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.507 5.636 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.506 7.415 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.625 6.492 2.976 1.00 0.00 H new ATOM 1043 N LYS A 72 9.270 9.497 -0.881 1.00 0.00 N ATOM 1044 CA LYS A 72 9.305 10.818 -1.563 1.00 0.00 C ATOM 1045 C LYS A 72 7.990 11.060 -2.342 1.00 0.00 C ATOM 1046 O LYS A 72 7.656 12.197 -2.688 1.00 0.00 O ATOM 1047 CB LYS A 72 10.524 10.958 -2.514 1.00 0.00 C ATOM 1048 CG LYS A 72 10.582 9.912 -3.648 1.00 0.00 C ATOM 1049 CD LYS A 72 11.470 10.336 -4.841 1.00 0.00 C ATOM 1050 CE LYS A 72 10.895 11.543 -5.599 1.00 0.00 C ATOM 1051 NZ LYS A 72 11.710 11.921 -6.776 1.00 0.00 N ATOM 0 H LYS A 72 9.839 8.777 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 72 9.409 11.576 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.509 11.954 -2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.438 10.885 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.957 8.972 -3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.571 9.724 -4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.469 10.580 -4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.577 9.496 -5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.880 11.313 -5.924 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.827 12.394 -4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.277 12.740 -7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.672 12.168 -6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.754 11.121 -7.439 1.00 0.00 H new ATOM 1065 N LYS A 73 7.254 9.965 -2.596 1.00 0.00 N ATOM 1066 CA LYS A 73 5.974 9.970 -3.327 1.00 0.00 C ATOM 1067 C LYS A 73 4.783 10.307 -2.377 1.00 0.00 C ATOM 1068 O LYS A 73 3.616 10.264 -2.787 1.00 0.00 O ATOM 1069 CB LYS A 73 5.833 8.572 -4.006 1.00 0.00 C ATOM 1070 CG LYS A 73 4.652 8.385 -4.980 1.00 0.00 C ATOM 1071 CD LYS A 73 4.719 7.047 -5.756 1.00 0.00 C ATOM 1072 CE LYS A 73 5.795 7.040 -6.860 1.00 0.00 C ATOM 1073 NZ LYS A 73 5.436 7.950 -7.990 1.00 0.00 N ATOM 0 H LYS A 73 7.537 9.033 -2.293 1.00 0.00 H new ATOM 0 HA LYS A 73 5.957 10.748 -4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.756 8.363 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.747 7.821 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.717 8.430 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.639 9.211 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.921 6.237 -5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.746 6.845 -6.204 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.752 7.346 -6.437 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.923 6.025 -7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.149 7.867 -8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.503 7.685 -8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.405 8.932 -7.649 1.00 0.00 H new ATOM 1087 N ASP A 74 5.092 10.665 -1.105 1.00 0.00 N ATOM 1088 CA ASP A 74 4.080 11.101 -0.111 1.00 0.00 C ATOM 1089 C ASP A 74 3.469 12.485 -0.494 1.00 0.00 C ATOM 1090 O ASP A 74 3.832 13.525 0.068 1.00 0.00 O ATOM 1091 CB ASP A 74 4.719 11.124 1.321 1.00 0.00 C ATOM 1092 CG ASP A 74 5.811 12.210 1.568 1.00 0.00 C ATOM 1093 OD1 ASP A 74 6.538 12.585 0.615 1.00 0.00 O ATOM 1094 OD2 ASP A 74 5.919 12.718 2.708 1.00 0.00 O ATOM 0 H ASP A 74 6.045 10.660 -0.742 1.00 0.00 H new ATOM 0 HA ASP A 74 3.258 10.385 -0.109 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.922 11.267 2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.158 10.146 1.517 1.00 0.00 H new ATOM 1099 N ARG A 75 2.498 12.480 -1.431 1.00 0.00 N ATOM 1100 CA ARG A 75 1.983 13.713 -2.105 1.00 0.00 C ATOM 1101 C ARG A 75 1.200 13.335 -3.362 1.00 0.00 C ATOM 1102 O ARG A 75 0.126 13.897 -3.623 1.00 0.00 O ATOM 1103 CB ARG A 75 3.125 14.736 -2.481 1.00 0.00 C ATOM 1104 CG ARG A 75 4.272 14.179 -3.379 1.00 0.00 C ATOM 1105 CD ARG A 75 5.619 14.890 -3.150 1.00 0.00 C ATOM 1106 NE ARG A 75 6.068 14.728 -1.751 1.00 0.00 N ATOM 1107 CZ ARG A 75 6.494 15.718 -0.953 1.00 0.00 C ATOM 1108 NH1 ARG A 75 6.590 16.960 -1.403 1.00 0.00 N ATOM 1109 NH2 ARG A 75 6.816 15.459 0.305 1.00 0.00 N ATOM 0 H ARG A 75 2.042 11.625 -1.749 1.00 0.00 H new ATOM 0 HA ARG A 75 1.330 14.210 -1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.671 15.586 -2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.564 15.115 -1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.393 13.113 -3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.988 14.281 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.370 14.483 -3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.520 15.950 -3.384 1.00 0.00 H new ATOM 0 HE ARG A 75 6.053 13.786 -1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.338 17.174 -2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.916 17.703 -0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.740 14.508 0.665 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.140 16.211 0.914 1.00 0.00 H new ATOM 1123 N GLU A 76 1.801 12.397 -4.135 1.00 0.00 N ATOM 1124 CA GLU A 76 1.339 11.938 -5.459 1.00 0.00 C ATOM 1125 C GLU A 76 -0.186 11.731 -5.536 1.00 0.00 C ATOM 1126 O GLU A 76 -0.807 11.227 -4.590 1.00 0.00 O ATOM 1127 CB GLU A 76 2.073 10.626 -5.817 1.00 0.00 C ATOM 1128 CG GLU A 76 1.906 10.121 -7.268 1.00 0.00 C ATOM 1129 CD GLU A 76 2.783 10.869 -8.284 1.00 0.00 C ATOM 1130 OE1 GLU A 76 2.379 11.958 -8.756 1.00 0.00 O ATOM 1131 OE2 GLU A 76 3.885 10.369 -8.616 1.00 0.00 O ATOM 0 H GLU A 76 2.654 11.924 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 76 1.574 12.723 -6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.137 10.766 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.726 9.845 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.148 9.059 -7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.861 10.220 -7.560 1.00 0.00 H new ATOM 1138 N THR A 77 -0.771 12.120 -6.674 1.00 0.00 N ATOM 1139 CA THR A 77 -2.216 12.145 -6.857 1.00 0.00 C ATOM 1140 C THR A 77 -2.685 10.913 -7.639 1.00 0.00 C ATOM 1141 O THR A 77 -2.390 10.777 -8.828 1.00 0.00 O ATOM 1142 CB THR A 77 -2.658 13.457 -7.582 1.00 0.00 C ATOM 1143 OG1 THR A 77 -1.871 13.658 -8.769 1.00 0.00 O ATOM 1144 CG2 THR A 77 -2.513 14.687 -6.674 1.00 0.00 C ATOM 0 H THR A 77 -0.248 12.427 -7.494 1.00 0.00 H new ATOM 0 HA THR A 77 -2.684 12.123 -5.873 1.00 0.00 H new ATOM 0 HB THR A 77 -3.710 13.342 -7.844 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.705 12.794 -9.202 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.830 15.578 -7.215 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.135 14.560 -5.788 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.471 14.797 -6.374 1.00 0.00 H new ATOM 1152 N MET A 78 -3.399 10.006 -6.950 1.00 0.00 N ATOM 1153 CA MET A 78 -4.037 8.838 -7.563 1.00 0.00 C ATOM 1154 C MET A 78 -5.338 9.294 -8.254 1.00 0.00 C ATOM 1155 O MET A 78 -6.382 9.422 -7.606 1.00 0.00 O ATOM 1156 CB MET A 78 -4.308 7.765 -6.465 1.00 0.00 C ATOM 1157 CG MET A 78 -5.003 6.474 -6.947 1.00 0.00 C ATOM 1158 SD MET A 78 -5.148 5.208 -5.655 1.00 0.00 S ATOM 1159 CE MET A 78 -3.429 4.860 -5.267 1.00 0.00 C ATOM 0 H MET A 78 -3.548 10.068 -5.943 1.00 0.00 H new ATOM 0 HA MET A 78 -3.389 8.387 -8.314 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.357 7.494 -6.006 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.922 8.217 -5.685 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.998 6.722 -7.316 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.445 6.062 -7.788 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.274 3.782 -5.236 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.788 5.297 -6.032 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.181 5.290 -4.297 1.00 0.00 H new ATOM 1169 N GLY A 79 -5.229 9.631 -9.553 1.00 0.00 N ATOM 1170 CA GLY A 79 -6.369 10.102 -10.351 1.00 0.00 C ATOM 1171 C GLY A 79 -6.672 11.573 -10.100 1.00 0.00 C ATOM 1172 O GLY A 79 -6.168 12.446 -10.808 1.00 0.00 O ATOM 0 H GLY A 79 -4.353 9.584 -10.073 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.158 9.951 -11.410 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.249 9.505 -10.113 1.00 0.00 H new ATOM 1176 N HIS A 80 -7.483 11.836 -9.066 1.00 0.00 N ATOM 1177 CA HIS A 80 -7.814 13.204 -8.603 1.00 0.00 C ATOM 1178 C HIS A 80 -7.652 13.296 -7.073 1.00 0.00 C ATOM 1179 O HIS A 80 -8.014 14.296 -6.465 1.00 0.00 O ATOM 1180 CB HIS A 80 -9.265 13.578 -9.023 1.00 0.00 C ATOM 1181 CG HIS A 80 -10.342 12.698 -8.422 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -10.811 11.566 -9.045 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -11.037 12.790 -7.254 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -11.733 10.997 -8.294 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -11.893 11.722 -7.207 1.00 0.00 N ATOM 0 H HIS A 80 -7.935 11.104 -8.518 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.128 13.912 -9.069 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.457 14.612 -8.736 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.339 13.529 -10.109 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.932 13.561 -6.505 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.267 10.089 -8.531 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.549 11.521 -6.452 1.00 0.00 H new ATOM 1194 N ARG A 81 -7.117 12.229 -6.473 1.00 0.00 N ATOM 1195 CA ARG A 81 -7.023 12.056 -5.016 1.00 0.00 C ATOM 1196 C ARG A 81 -5.575 12.267 -4.552 1.00 0.00 C ATOM 1197 O ARG A 81 -4.678 11.670 -5.125 1.00 0.00 O ATOM 1198 CB ARG A 81 -7.485 10.606 -4.676 1.00 0.00 C ATOM 1199 CG ARG A 81 -7.582 10.267 -3.175 1.00 0.00 C ATOM 1200 CD ARG A 81 -8.731 10.997 -2.468 1.00 0.00 C ATOM 1201 NE ARG A 81 -8.862 10.578 -1.065 1.00 0.00 N ATOM 1202 CZ ARG A 81 -9.787 11.026 -0.211 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -10.708 11.907 -0.594 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -9.796 10.561 1.026 1.00 0.00 N ATOM 0 H ARG A 81 -6.728 11.444 -6.995 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.653 12.785 -4.507 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.462 10.440 -5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.793 9.905 -5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.716 9.192 -3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.641 10.525 -2.689 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.560 12.073 -2.512 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.665 10.801 -2.995 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.194 9.891 -0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.716 12.252 -1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.406 12.237 0.072 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.104 9.871 1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.495 10.893 1.690 1.00 0.00 H new ATOM 1218 N TYR A 82 -5.357 13.067 -3.483 1.00 0.00 N ATOM 1219 CA TYR A 82 -4.025 13.195 -2.850 1.00 0.00 C ATOM 1220 C TYR A 82 -3.796 11.939 -2.014 1.00 0.00 C ATOM 1221 O TYR A 82 -4.703 11.512 -1.295 1.00 0.00 O ATOM 1222 CB TYR A 82 -3.916 14.445 -1.926 1.00 0.00 C ATOM 1223 CG TYR A 82 -3.805 15.791 -2.656 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -2.642 16.130 -3.356 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -4.839 16.732 -2.626 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -2.518 17.348 -3.993 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -4.719 17.948 -3.266 1.00 0.00 C ATOM 1228 CZ TYR A 82 -3.557 18.249 -3.950 1.00 0.00 C ATOM 1229 OH TYR A 82 -3.431 19.467 -4.580 1.00 0.00 O ATOM 0 H TYR A 82 -6.084 13.631 -3.042 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.277 13.313 -3.634 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.791 14.474 -1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -3.044 14.326 -1.282 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.825 15.425 -3.399 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.749 16.502 -2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.609 17.593 -4.523 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.529 18.661 -3.233 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.253 19.986 -4.456 1.00 0.00 H new ATOM 1239 N VAL A 83 -2.618 11.326 -2.128 1.00 0.00 N ATOM 1240 CA VAL A 83 -2.276 10.114 -1.368 1.00 0.00 C ATOM 1241 C VAL A 83 -0.885 10.264 -0.713 1.00 0.00 C ATOM 1242 O VAL A 83 0.082 10.695 -1.355 1.00 0.00 O ATOM 1243 CB VAL A 83 -2.322 8.838 -2.279 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -1.842 7.586 -1.518 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -3.732 8.598 -2.891 1.00 0.00 C ATOM 0 H VAL A 83 -1.874 11.650 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.021 9.988 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.636 9.023 -3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.886 6.720 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.815 7.735 -1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.484 7.417 -0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.711 7.703 -3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.459 8.466 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.015 9.457 -3.500 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.821 9.899 0.579 1.00 0.00 N ATOM 1256 CA GLU A 84 0.411 9.867 1.379 1.00 0.00 C ATOM 1257 C GLU A 84 0.944 8.431 1.430 1.00 0.00 C ATOM 1258 O GLU A 84 0.165 7.473 1.404 1.00 0.00 O ATOM 1259 CB GLU A 84 0.131 10.365 2.823 1.00 0.00 C ATOM 1260 CG GLU A 84 -0.609 11.709 2.911 1.00 0.00 C ATOM 1261 CD GLU A 84 -0.707 12.252 4.351 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -1.552 11.758 5.128 1.00 0.00 O ATOM 1263 OE2 GLU A 84 0.071 13.165 4.712 1.00 0.00 O ATOM 0 H GLU A 84 -1.645 9.612 1.107 1.00 0.00 H new ATOM 0 HA GLU A 84 1.150 10.522 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.455 9.609 3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.080 10.454 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.096 12.441 2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.613 11.591 2.504 1.00 0.00 H new ATOM 1270 N VAL A 85 2.273 8.286 1.505 1.00 0.00 N ATOM 1271 CA VAL A 85 2.934 6.973 1.612 1.00 0.00 C ATOM 1272 C VAL A 85 3.945 7.012 2.757 1.00 0.00 C ATOM 1273 O VAL A 85 4.899 7.790 2.716 1.00 0.00 O ATOM 1274 CB VAL A 85 3.655 6.531 0.280 1.00 0.00 C ATOM 1275 CG1 VAL A 85 4.266 5.107 0.413 1.00 0.00 C ATOM 1276 CG2 VAL A 85 2.700 6.611 -0.928 1.00 0.00 C ATOM 0 H VAL A 85 2.922 9.073 1.493 1.00 0.00 H new ATOM 0 HA VAL A 85 2.156 6.235 1.806 1.00 0.00 H new ATOM 0 HB VAL A 85 4.473 7.230 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.755 4.832 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.997 5.099 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.474 4.390 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.227 6.300 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.847 5.953 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.350 7.636 -1.048 1.00 0.00 H new ATOM 1286 N PHE A 86 3.730 6.152 3.758 1.00 0.00 N ATOM 1287 CA PHE A 86 4.576 6.054 4.956 1.00 0.00 C ATOM 1288 C PHE A 86 5.264 4.684 4.938 1.00 0.00 C ATOM 1289 O PHE A 86 4.661 3.708 4.476 1.00 0.00 O ATOM 1290 CB PHE A 86 3.711 6.200 6.243 1.00 0.00 C ATOM 1291 CG PHE A 86 2.880 7.486 6.311 1.00 0.00 C ATOM 1292 CD1 PHE A 86 3.440 8.678 6.761 1.00 0.00 C ATOM 1293 CD2 PHE A 86 1.541 7.501 5.923 1.00 0.00 C ATOM 1294 CE1 PHE A 86 2.694 9.840 6.821 1.00 0.00 C ATOM 1295 CE2 PHE A 86 0.793 8.662 5.985 1.00 0.00 C ATOM 1296 CZ PHE A 86 1.369 9.834 6.431 1.00 0.00 C ATOM 0 H PHE A 86 2.951 5.493 3.760 1.00 0.00 H new ATOM 0 HA PHE A 86 5.318 6.852 4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.039 5.345 6.312 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.367 6.161 7.112 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.475 8.695 7.069 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.081 6.591 5.568 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.148 10.754 7.173 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.244 8.652 5.684 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.786 10.742 6.475 1.00 0.00 H new ATOM 1306 N LYS A 87 6.517 4.610 5.413 1.00 0.00 N ATOM 1307 CA LYS A 87 7.232 3.333 5.532 1.00 0.00 C ATOM 1308 C LYS A 87 6.564 2.472 6.612 1.00 0.00 C ATOM 1309 O LYS A 87 6.139 2.981 7.654 1.00 0.00 O ATOM 1310 CB LYS A 87 8.744 3.523 5.851 1.00 0.00 C ATOM 1311 CG LYS A 87 9.535 2.191 5.879 1.00 0.00 C ATOM 1312 CD LYS A 87 11.026 2.343 6.247 1.00 0.00 C ATOM 1313 CE LYS A 87 11.737 0.978 6.331 1.00 0.00 C ATOM 1314 NZ LYS A 87 13.136 1.100 6.802 1.00 0.00 N ATOM 0 H LYS A 87 7.055 5.420 5.721 1.00 0.00 H new ATOM 0 HA LYS A 87 7.175 2.831 4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.185 4.184 5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.845 4.018 6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.063 1.517 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.461 1.718 4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.522 2.966 5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.114 2.858 7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.185 0.324 7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.727 0.505 5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.785 0.826 6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.324 2.084 7.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.282 0.476 7.621 1.00 0.00 H new ATOM 1328 N SER A 88 6.436 1.189 6.315 1.00 0.00 N ATOM 1329 CA SER A 88 5.951 0.185 7.257 1.00 0.00 C ATOM 1330 C SER A 88 7.018 -0.915 7.395 1.00 0.00 C ATOM 1331 O SER A 88 8.197 -0.701 7.075 1.00 0.00 O ATOM 1332 CB SER A 88 4.588 -0.362 6.770 1.00 0.00 C ATOM 1333 OG SER A 88 4.691 -1.055 5.543 1.00 0.00 O ATOM 0 H SER A 88 6.669 0.807 5.399 1.00 0.00 H new ATOM 0 HA SER A 88 5.787 0.617 8.244 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.176 -1.029 7.527 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.887 0.465 6.659 1.00 0.00 H new ATOM 0 HG SER A 88 5.578 -0.902 5.154 1.00 0.00 H new ATOM 1339 N ASN A 89 6.609 -2.089 7.881 1.00 0.00 N ATOM 1340 CA ASN A 89 7.503 -3.247 8.063 1.00 0.00 C ATOM 1341 C ASN A 89 6.798 -4.498 7.541 1.00 0.00 C ATOM 1342 O ASN A 89 5.572 -4.511 7.409 1.00 0.00 O ATOM 1343 CB ASN A 89 7.886 -3.424 9.561 1.00 0.00 C ATOM 1344 CG ASN A 89 8.514 -2.166 10.173 1.00 0.00 C ATOM 1345 OD1 ASN A 89 9.725 -1.983 10.120 1.00 0.00 O ATOM 1346 ND2 ASN A 89 7.697 -1.273 10.726 1.00 0.00 N ATOM 0 H ASN A 89 5.645 -2.269 8.162 1.00 0.00 H new ATOM 0 HA ASN A 89 8.425 -3.082 7.505 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.995 -3.691 10.129 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.585 -4.255 9.656 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.075 -0.411 11.119 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.693 -1.451 10.757 1.00 0.00 H new ATOM 1353 N ASN A 90 7.584 -5.535 7.233 1.00 0.00 N ATOM 1354 CA ASN A 90 7.067 -6.884 6.918 1.00 0.00 C ATOM 1355 C ASN A 90 6.279 -7.465 8.122 1.00 0.00 C ATOM 1356 O ASN A 90 5.216 -8.064 7.951 1.00 0.00 O ATOM 1357 CB ASN A 90 8.250 -7.822 6.509 1.00 0.00 C ATOM 1358 CG ASN A 90 9.374 -7.962 7.560 1.00 0.00 C ATOM 1359 OD1 ASN A 90 9.647 -7.038 8.333 1.00 0.00 O ATOM 1360 ND2 ASN A 90 10.032 -9.119 7.597 1.00 0.00 N ATOM 0 H ASN A 90 8.601 -5.469 7.193 1.00 0.00 H new ATOM 0 HA ASN A 90 6.376 -6.813 6.078 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.849 -8.813 6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.686 -7.448 5.583 1.00 0.00 H new ATOM 0 HD21 ASN A 90 10.781 -9.258 8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.787 -9.866 6.947 1.00 0.00 H new ATOM 1367 N VAL A 91 6.826 -7.226 9.330 1.00 0.00 N ATOM 1368 CA VAL A 91 6.231 -7.651 10.622 1.00 0.00 C ATOM 1369 C VAL A 91 4.960 -6.840 10.937 1.00 0.00 C ATOM 1370 O VAL A 91 3.987 -7.381 11.462 1.00 0.00 O ATOM 1371 CB VAL A 91 7.277 -7.526 11.796 1.00 0.00 C ATOM 1372 CG1 VAL A 91 6.656 -7.867 13.178 1.00 0.00 C ATOM 1373 CG2 VAL A 91 8.510 -8.418 11.514 1.00 0.00 C ATOM 0 H VAL A 91 7.707 -6.725 9.442 1.00 0.00 H new ATOM 0 HA VAL A 91 5.950 -8.700 10.530 1.00 0.00 H new ATOM 0 HB VAL A 91 7.594 -6.484 11.840 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.416 -7.766 13.953 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.833 -7.183 13.386 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.283 -8.891 13.167 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.224 -8.322 12.332 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.195 -9.458 11.428 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.981 -8.103 10.583 1.00 0.00 H new ATOM 1383 N GLU A 92 4.988 -5.545 10.588 1.00 0.00 N ATOM 1384 CA GLU A 92 3.861 -4.614 10.811 1.00 0.00 C ATOM 1385 C GLU A 92 2.675 -4.982 9.896 1.00 0.00 C ATOM 1386 O GLU A 92 1.532 -5.054 10.344 1.00 0.00 O ATOM 1387 CB GLU A 92 4.311 -3.160 10.529 1.00 0.00 C ATOM 1388 CG GLU A 92 3.249 -2.074 10.814 1.00 0.00 C ATOM 1389 CD GLU A 92 3.697 -0.666 10.392 1.00 0.00 C ATOM 1390 OE1 GLU A 92 4.854 -0.287 10.688 1.00 0.00 O ATOM 1391 OE2 GLU A 92 2.913 0.061 9.748 1.00 0.00 O ATOM 0 H GLU A 92 5.794 -5.108 10.141 1.00 0.00 H new ATOM 0 HA GLU A 92 3.542 -4.694 11.850 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.195 -2.947 11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.611 -3.086 9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.328 -2.328 10.289 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.018 -2.071 11.879 1.00 0.00 H new ATOM 1398 N MET A 93 2.992 -5.213 8.606 1.00 0.00 N ATOM 1399 CA MET A 93 2.021 -5.644 7.578 1.00 0.00 C ATOM 1400 C MET A 93 1.357 -6.965 7.998 1.00 0.00 C ATOM 1401 O MET A 93 0.128 -7.087 7.976 1.00 0.00 O ATOM 1402 CB MET A 93 2.739 -5.767 6.197 1.00 0.00 C ATOM 1403 CG MET A 93 1.903 -6.362 5.045 1.00 0.00 C ATOM 1404 SD MET A 93 2.000 -8.159 4.955 1.00 0.00 S ATOM 1405 CE MET A 93 3.717 -8.409 4.495 1.00 0.00 C ATOM 0 H MET A 93 3.939 -5.105 8.244 1.00 0.00 H new ATOM 0 HA MET A 93 1.232 -4.899 7.481 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.078 -4.775 5.898 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.629 -6.382 6.327 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.861 -6.066 5.170 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.244 -5.938 4.100 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.827 -9.382 4.016 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.026 -7.626 3.802 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.342 -8.371 5.387 1.00 0.00 H new ATOM 1415 N ASP A 94 2.197 -7.906 8.463 1.00 0.00 N ATOM 1416 CA ASP A 94 1.767 -9.234 8.951 1.00 0.00 C ATOM 1417 C ASP A 94 0.828 -9.093 10.165 1.00 0.00 C ATOM 1418 O ASP A 94 -0.202 -9.767 10.243 1.00 0.00 O ATOM 1419 CB ASP A 94 3.015 -10.079 9.333 1.00 0.00 C ATOM 1420 CG ASP A 94 2.676 -11.451 9.949 1.00 0.00 C ATOM 1421 OD1 ASP A 94 2.206 -12.340 9.213 1.00 0.00 O ATOM 1422 OD2 ASP A 94 2.891 -11.648 11.169 1.00 0.00 O ATOM 0 H ASP A 94 3.206 -7.767 8.512 1.00 0.00 H new ATOM 0 HA ASP A 94 1.219 -9.739 8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.624 -10.232 8.442 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.621 -9.514 10.041 1.00 0.00 H new ATOM 1427 N TRP A 95 1.200 -8.186 11.089 1.00 0.00 N ATOM 1428 CA TRP A 95 0.458 -7.921 12.334 1.00 0.00 C ATOM 1429 C TRP A 95 -0.978 -7.440 12.056 1.00 0.00 C ATOM 1430 O TRP A 95 -1.919 -8.016 12.569 1.00 0.00 O ATOM 1431 CB TRP A 95 1.222 -6.871 13.200 1.00 0.00 C ATOM 1432 CG TRP A 95 0.488 -6.441 14.461 1.00 0.00 C ATOM 1433 CD1 TRP A 95 -0.018 -5.195 14.748 1.00 0.00 C ATOM 1434 CD2 TRP A 95 0.151 -7.271 15.584 1.00 0.00 C ATOM 1435 NE1 TRP A 95 -0.620 -5.206 15.982 1.00 0.00 N ATOM 1436 CE2 TRP A 95 -0.524 -6.465 16.517 1.00 0.00 C ATOM 1437 CE3 TRP A 95 0.379 -8.614 15.896 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 -0.991 -6.964 17.731 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 -0.083 -9.110 17.099 1.00 0.00 C ATOM 1440 CH2 TRP A 95 -0.756 -8.285 18.009 1.00 0.00 C ATOM 0 H TRP A 95 2.036 -7.610 10.989 1.00 0.00 H new ATOM 0 HA TRP A 95 0.387 -8.860 12.883 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.190 -7.286 13.481 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.418 -5.989 12.590 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.048 -4.335 14.099 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.067 -4.406 16.429 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.909 -9.254 15.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.520 -6.332 18.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.077 -10.150 17.342 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -1.096 -8.698 18.947 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.106 -6.376 11.252 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.405 -5.722 10.964 1.00 0.00 C ATOM 1453 C VAL A 96 -3.369 -6.674 10.206 1.00 0.00 C ATOM 1454 O VAL A 96 -4.578 -6.667 10.458 1.00 0.00 O ATOM 1455 CB VAL A 96 -2.187 -4.371 10.183 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.528 -3.642 9.894 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -1.211 -3.445 10.959 1.00 0.00 C ATOM 0 H VAL A 96 -0.315 -5.938 10.779 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.880 -5.485 11.916 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.743 -4.619 9.219 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.330 -2.716 9.354 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.168 -4.284 9.290 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.028 -3.413 10.835 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.072 -2.517 10.405 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.625 -3.222 11.942 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.250 -3.945 11.075 1.00 0.00 H new ATOM 1467 N LEU A 97 -2.814 -7.521 9.319 1.00 0.00 N ATOM 1468 CA LEU A 97 -3.587 -8.573 8.610 1.00 0.00 C ATOM 1469 C LEU A 97 -4.076 -9.655 9.588 1.00 0.00 C ATOM 1470 O LEU A 97 -5.186 -10.174 9.456 1.00 0.00 O ATOM 1471 CB LEU A 97 -2.723 -9.223 7.506 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.293 -8.279 6.344 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.261 -8.965 5.437 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -3.512 -7.779 5.533 1.00 0.00 C ATOM 0 H LEU A 97 -1.825 -7.501 9.071 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.456 -8.098 8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.825 -9.634 7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.276 -10.061 7.083 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.822 -7.402 6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.976 -8.287 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.379 -9.226 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.695 -9.870 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.172 -7.123 4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.039 -8.632 5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.186 -7.229 6.190 1.00 0.00 H new ATOM 1486 N LYS A 98 -3.234 -9.957 10.580 1.00 0.00 N ATOM 1487 CA LYS A 98 -3.464 -11.039 11.555 1.00 0.00 C ATOM 1488 C LYS A 98 -4.404 -10.554 12.667 1.00 0.00 C ATOM 1489 O LYS A 98 -5.209 -11.324 13.202 1.00 0.00 O ATOM 1490 CB LYS A 98 -2.092 -11.466 12.147 1.00 0.00 C ATOM 1491 CG LYS A 98 -2.113 -12.640 13.155 1.00 0.00 C ATOM 1492 CD LYS A 98 -0.686 -13.034 13.612 1.00 0.00 C ATOM 1493 CE LYS A 98 0.223 -13.444 12.432 1.00 0.00 C ATOM 1494 NZ LYS A 98 1.607 -13.752 12.862 1.00 0.00 N ATOM 0 H LYS A 98 -2.361 -9.453 10.735 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.933 -11.892 11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.433 -11.736 11.322 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.648 -10.601 12.639 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.709 -12.362 14.024 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.599 -13.502 12.698 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.233 -12.195 14.140 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.750 -13.860 14.320 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.202 -14.316 11.936 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.245 -12.639 11.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.272 -13.121 12.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.691 -13.611 13.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.831 -14.740 12.629 1.00 0.00 H new ATOM 1508 N HIS A 99 -4.294 -9.251 12.962 1.00 0.00 N ATOM 1509 CA HIS A 99 -4.928 -8.592 14.098 1.00 0.00 C ATOM 1510 C HIS A 99 -4.838 -7.071 13.891 1.00 0.00 C ATOM 1511 O HIS A 99 -3.788 -6.463 14.137 1.00 0.00 O ATOM 1512 CB HIS A 99 -4.232 -9.002 15.435 1.00 0.00 C ATOM 1513 CG HIS A 99 -4.792 -8.334 16.677 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -5.811 -8.876 17.424 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -4.448 -7.182 17.308 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -6.068 -8.094 18.456 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -5.259 -7.058 18.405 1.00 0.00 N ATOM 0 H HIS A 99 -3.741 -8.610 12.393 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.972 -8.898 14.162 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.313 -10.083 15.553 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.170 -8.768 15.362 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -3.677 -6.491 17.001 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.816 -8.274 19.214 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -5.239 -6.288 19.073 1.00 0.00 H new