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+ 165:sc= 0.5 (180deg=0.364) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 90:sc= -2.72! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0594 K(o=-0.059,f=-2.1!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -29:sc= -3.29! USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= -0.197 (180deg=-0.949) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.64!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 41 GLN : amide:sc= -0.285 X(o=-0.28,f=0) USER MOD Single : A 47 TYR OH : rot 93:sc= 0.288 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : A 54 SER OG : rot -73:sc= 0.789 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 132:sc= 0.407 (180deg=-0.109) USER MOD Single : A 73 LYS NZ :NH3+ 169:sc= 0.431 (180deg=0.296) USER MOD Single : A 77 THR OG1 : rot 28:sc= 0.0384 USER MOD Single : A 78 MET CE :methyl 170:sc= -0.0118 (180deg=-0.164) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.00056) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 159:sc=-0.00804 (180deg=-0.628) USER MOD Single : A 88 SER OG : rot 129:sc= 1.09 USER MOD Single : A 89 ASN : amide:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 MET CE :methyl -136:sc= -1.49 (180deg=-2.44) USER MOD Single : A 98 LYS NZ :NH3+ 172:sc= 0.703 (180deg=0.634) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PHE A 11 11.227 -2.407 3.257 1.00 0.00 N ATOM 84 CA PHE A 11 11.037 -3.017 1.919 1.00 0.00 C ATOM 85 C PHE A 11 9.551 -3.019 1.487 1.00 0.00 C ATOM 86 O PHE A 11 9.180 -3.696 0.546 1.00 0.00 O ATOM 87 CB PHE A 11 11.626 -4.453 1.849 1.00 0.00 C ATOM 88 CG PHE A 11 13.090 -4.550 2.273 1.00 0.00 C ATOM 89 CD1 PHE A 11 14.101 -4.075 1.443 1.00 0.00 C ATOM 90 CD2 PHE A 11 13.454 -5.118 3.497 1.00 0.00 C ATOM 91 CE1 PHE A 11 15.427 -4.155 1.824 1.00 0.00 C ATOM 92 CE2 PHE A 11 14.781 -5.201 3.873 1.00 0.00 C ATOM 93 CZ PHE A 11 15.768 -4.720 3.032 1.00 0.00 C ATOM 0 HA PHE A 11 11.588 -2.392 1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.031 -5.109 2.484 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.529 -4.824 0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.846 -3.638 0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.688 -5.497 4.158 1.00 0.00 H new ATOM 0 HE1 PHE A 11 16.198 -3.773 1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.047 -5.641 4.823 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.806 -4.788 3.323 1.00 0.00 H new ATOM 103 N VAL A 12 8.723 -2.251 2.206 1.00 0.00 N ATOM 104 CA VAL A 12 7.276 -2.124 1.990 1.00 0.00 C ATOM 105 C VAL A 12 6.900 -0.675 2.332 1.00 0.00 C ATOM 106 O VAL A 12 7.507 -0.089 3.240 1.00 0.00 O ATOM 107 CB VAL A 12 6.424 -3.093 2.921 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.921 -3.028 2.565 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.925 -4.556 2.884 1.00 0.00 C ATOM 0 H VAL A 12 9.055 -1.680 2.983 1.00 0.00 H new ATOM 0 HA VAL A 12 7.054 -2.392 0.957 1.00 0.00 H new ATOM 0 HB VAL A 12 6.561 -2.735 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.363 -3.700 3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.559 -2.009 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.780 -3.329 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.305 -5.169 3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.863 -4.936 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.960 -4.595 3.223 1.00 0.00 H new ATOM 119 N VAL A 13 5.960 -0.076 1.595 1.00 0.00 N ATOM 120 CA VAL A 13 5.349 1.221 1.971 1.00 0.00 C ATOM 121 C VAL A 13 3.867 1.074 2.328 1.00 0.00 C ATOM 122 O VAL A 13 3.271 0.004 2.154 1.00 0.00 O ATOM 123 CB VAL A 13 5.510 2.288 0.823 1.00 0.00 C ATOM 124 CG1 VAL A 13 6.995 2.655 0.629 1.00 0.00 C ATOM 125 CG2 VAL A 13 4.860 1.807 -0.505 1.00 0.00 C ATOM 0 H VAL A 13 5.597 -0.466 0.725 1.00 0.00 H new ATOM 0 HA VAL A 13 5.884 1.568 2.855 1.00 0.00 H new ATOM 0 HB VAL A 13 4.977 3.189 1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.086 3.393 -0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.391 3.071 1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.559 1.761 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.992 2.570 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.336 0.881 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.796 1.632 -0.347 1.00 0.00 H new ATOM 135 N LYS A 14 3.287 2.175 2.836 1.00 0.00 N ATOM 136 CA LYS A 14 1.848 2.297 3.084 1.00 0.00 C ATOM 137 C LYS A 14 1.305 3.392 2.191 1.00 0.00 C ATOM 138 O LYS A 14 1.906 4.459 2.098 1.00 0.00 O ATOM 139 CB LYS A 14 1.497 2.661 4.546 1.00 0.00 C ATOM 140 CG LYS A 14 1.960 1.643 5.585 1.00 0.00 C ATOM 141 CD LYS A 14 1.261 1.825 6.943 1.00 0.00 C ATOM 142 CE LYS A 14 -0.235 1.447 6.903 1.00 0.00 C ATOM 143 NZ LYS A 14 -0.837 1.456 8.250 1.00 0.00 N ATOM 0 H LYS A 14 3.813 3.012 3.087 1.00 0.00 H new ATOM 0 HA LYS A 14 1.407 1.322 2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.941 3.628 4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.416 2.778 4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.767 0.637 5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.038 1.732 5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.765 1.213 7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.360 2.863 7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.770 2.147 6.261 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.348 0.457 6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.874 1.451 8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.527 0.613 8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.535 2.311 8.760 1.00 0.00 H new ATOM 157 N VAL A 15 0.166 3.125 1.561 1.00 0.00 N ATOM 158 CA VAL A 15 -0.507 4.077 0.686 1.00 0.00 C ATOM 159 C VAL A 15 -1.798 4.514 1.374 1.00 0.00 C ATOM 160 O VAL A 15 -2.666 3.684 1.626 1.00 0.00 O ATOM 161 CB VAL A 15 -0.827 3.430 -0.704 1.00 0.00 C ATOM 162 CG1 VAL A 15 -1.405 4.467 -1.701 1.00 0.00 C ATOM 163 CG2 VAL A 15 0.426 2.733 -1.278 1.00 0.00 C ATOM 0 H VAL A 15 -0.320 2.232 1.645 1.00 0.00 H new ATOM 0 HA VAL A 15 0.140 4.935 0.506 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.597 2.674 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.614 3.979 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.327 4.885 -1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.681 5.267 -1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.185 2.289 -2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.224 3.465 -1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.755 1.952 -0.592 1.00 0.00 H new ATOM 173 N ARG A 16 -1.906 5.807 1.687 1.00 0.00 N ATOM 174 CA ARG A 16 -3.095 6.377 2.351 1.00 0.00 C ATOM 175 C ARG A 16 -3.585 7.567 1.534 1.00 0.00 C ATOM 176 O ARG A 16 -2.804 8.210 0.852 1.00 0.00 O ATOM 177 CB ARG A 16 -2.799 6.752 3.835 1.00 0.00 C ATOM 178 CG ARG A 16 -4.067 7.107 4.658 1.00 0.00 C ATOM 179 CD ARG A 16 -3.817 7.172 6.172 1.00 0.00 C ATOM 180 NE ARG A 16 -2.944 8.285 6.566 1.00 0.00 N ATOM 181 CZ ARG A 16 -2.034 8.243 7.535 1.00 0.00 C ATOM 182 NH1 ARG A 16 -1.700 7.099 8.124 1.00 0.00 N ATOM 183 NH2 ARG A 16 -1.416 9.354 7.875 1.00 0.00 N ATOM 0 H ARG A 16 -1.177 6.493 1.491 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.888 5.630 2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.287 5.918 4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.115 7.600 3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.452 8.069 4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.840 6.365 4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.772 7.268 6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.370 6.234 6.501 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.044 9.162 6.055 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.145 6.228 7.835 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.999 7.093 8.865 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.638 10.228 7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.715 9.341 8.616 1.00 0.00 H new ATOM 197 N GLY A 17 -4.887 7.851 1.608 1.00 0.00 N ATOM 198 CA GLY A 17 -5.542 8.774 0.672 1.00 0.00 C ATOM 199 C GLY A 17 -6.246 7.995 -0.434 1.00 0.00 C ATOM 200 O GLY A 17 -6.507 8.515 -1.529 1.00 0.00 O ATOM 0 H GLY A 17 -5.513 7.454 2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.263 9.393 1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.803 9.448 0.238 1.00 0.00 H new ATOM 204 N LEU A 18 -6.567 6.729 -0.111 1.00 0.00 N ATOM 205 CA LEU A 18 -7.255 5.800 -1.005 1.00 0.00 C ATOM 206 C LEU A 18 -8.752 5.792 -0.677 1.00 0.00 C ATOM 207 O LEU A 18 -9.116 5.761 0.513 1.00 0.00 O ATOM 208 CB LEU A 18 -6.681 4.365 -0.853 1.00 0.00 C ATOM 209 CG LEU A 18 -5.191 4.178 -1.257 1.00 0.00 C ATOM 210 CD1 LEU A 18 -4.751 2.710 -1.068 1.00 0.00 C ATOM 211 CD2 LEU A 18 -4.944 4.656 -2.706 1.00 0.00 C ATOM 0 H LEU A 18 -6.348 6.322 0.798 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.103 6.127 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.796 4.058 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.287 3.687 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.582 4.797 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.705 2.603 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.869 2.427 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.367 2.062 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.894 4.514 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.566 4.079 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.198 5.713 -2.789 1.00 0.00 H new ATOM 223 N PRO A 19 -9.643 5.867 -1.714 1.00 0.00 N ATOM 224 CA PRO A 19 -11.092 5.623 -1.544 1.00 0.00 C ATOM 225 C PRO A 19 -11.399 4.193 -1.051 1.00 0.00 C ATOM 226 O PRO A 19 -10.562 3.285 -1.154 1.00 0.00 O ATOM 227 CB PRO A 19 -11.676 5.858 -2.971 1.00 0.00 C ATOM 228 CG PRO A 19 -10.655 6.708 -3.658 1.00 0.00 C ATOM 229 CD PRO A 19 -9.322 6.245 -3.120 1.00 0.00 C ATOM 0 HA PRO A 19 -11.526 6.275 -0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.828 4.916 -3.498 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.644 6.358 -2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.706 6.586 -4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.818 7.765 -3.448 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -8.929 5.400 -3.686 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.572 7.035 -3.165 1.00 0.00 H new ATOM 237 N TRP A 20 -12.627 4.006 -0.553 1.00 0.00 N ATOM 238 CA TRP A 20 -13.135 2.692 -0.103 1.00 0.00 C ATOM 239 C TRP A 20 -13.466 1.783 -1.307 1.00 0.00 C ATOM 240 O TRP A 20 -13.775 0.601 -1.136 1.00 0.00 O ATOM 241 CB TRP A 20 -14.380 2.876 0.809 1.00 0.00 C ATOM 242 CG TRP A 20 -14.079 3.614 2.103 1.00 0.00 C ATOM 243 CD1 TRP A 20 -13.878 4.961 2.262 1.00 0.00 C ATOM 244 CD2 TRP A 20 -13.954 3.038 3.413 1.00 0.00 C ATOM 245 NE1 TRP A 20 -13.637 5.249 3.581 1.00 0.00 N ATOM 246 CE2 TRP A 20 -13.680 4.087 4.307 1.00 0.00 C ATOM 247 CE3 TRP A 20 -14.054 1.734 3.917 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -13.495 3.877 5.671 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -13.876 1.527 5.273 1.00 0.00 C ATOM 250 CH2 TRP A 20 -13.599 2.594 6.136 1.00 0.00 C ATOM 0 H TRP A 20 -13.304 4.762 -0.448 1.00 0.00 H new ATOM 0 HA TRP A 20 -12.351 2.204 0.477 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -15.146 3.422 0.259 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -14.795 1.896 1.047 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -13.905 5.689 1.465 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -13.455 6.178 3.961 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.266 0.905 3.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -13.277 4.698 6.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -13.952 0.526 5.672 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -13.465 2.401 7.190 1.00 0.00 H new ATOM 261 N SER A 21 -13.411 2.360 -2.521 1.00 0.00 N ATOM 262 CA SER A 21 -13.623 1.647 -3.785 1.00 0.00 C ATOM 263 C SER A 21 -12.322 1.594 -4.626 1.00 0.00 C ATOM 264 O SER A 21 -12.372 1.283 -5.819 1.00 0.00 O ATOM 265 CB SER A 21 -14.763 2.357 -4.558 1.00 0.00 C ATOM 266 OG SER A 21 -15.943 2.457 -3.758 1.00 0.00 O ATOM 0 H SER A 21 -13.214 3.353 -2.649 1.00 0.00 H new ATOM 0 HA SER A 21 -13.905 0.614 -3.581 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.438 3.353 -4.858 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.985 1.806 -5.472 1.00 0.00 H new ATOM 0 HG SER A 21 -16.647 2.910 -4.268 1.00 0.00 H new ATOM 272 N CYS A 22 -11.153 1.872 -3.997 1.00 0.00 N ATOM 273 CA CYS A 22 -9.841 1.831 -4.682 1.00 0.00 C ATOM 274 C CYS A 22 -9.460 0.395 -5.095 1.00 0.00 C ATOM 275 O CYS A 22 -9.930 -0.588 -4.500 1.00 0.00 O ATOM 276 CB CYS A 22 -8.760 2.441 -3.767 1.00 0.00 C ATOM 277 SG CYS A 22 -7.096 2.458 -4.473 1.00 0.00 S ATOM 0 H CYS A 22 -11.095 2.128 -3.011 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.913 2.420 -5.596 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -9.046 3.464 -3.521 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.737 1.882 -2.831 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.913 3.567 -5.126 1.00 0.00 H new ATOM 283 N SER A 23 -8.601 0.295 -6.127 1.00 0.00 N ATOM 284 CA SER A 23 -8.215 -0.975 -6.775 1.00 0.00 C ATOM 285 C SER A 23 -6.684 -1.041 -6.970 1.00 0.00 C ATOM 286 O SER A 23 -6.018 -0.007 -7.073 1.00 0.00 O ATOM 287 CB SER A 23 -8.944 -1.104 -8.136 1.00 0.00 C ATOM 288 OG SER A 23 -10.356 -1.024 -7.989 1.00 0.00 O ATOM 0 H SER A 23 -8.147 1.109 -6.542 1.00 0.00 H new ATOM 0 HA SER A 23 -8.509 -1.806 -6.134 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.603 -0.315 -8.807 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.680 -2.054 -8.601 1.00 0.00 H new ATOM 0 HG SER A 23 -10.782 -1.108 -8.868 1.00 0.00 H new ATOM 294 N ALA A 24 -6.142 -2.277 -6.999 1.00 0.00 N ATOM 295 CA ALA A 24 -4.688 -2.553 -7.125 1.00 0.00 C ATOM 296 C ALA A 24 -4.050 -1.847 -8.334 1.00 0.00 C ATOM 297 O ALA A 24 -2.954 -1.292 -8.222 1.00 0.00 O ATOM 298 CB ALA A 24 -4.455 -4.069 -7.200 1.00 0.00 C ATOM 0 H ALA A 24 -6.706 -3.125 -6.935 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.200 -2.148 -6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.387 -4.269 -7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.835 -4.541 -6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.976 -4.475 -8.067 1.00 0.00 H new ATOM 304 N ASP A 25 -4.751 -1.898 -9.478 1.00 0.00 N ATOM 305 CA ASP A 25 -4.305 -1.313 -10.762 1.00 0.00 C ATOM 306 C ASP A 25 -3.909 0.173 -10.655 1.00 0.00 C ATOM 307 O ASP A 25 -2.847 0.565 -11.148 1.00 0.00 O ATOM 308 CB ASP A 25 -5.410 -1.484 -11.837 1.00 0.00 C ATOM 309 CG ASP A 25 -5.770 -2.957 -12.103 1.00 0.00 C ATOM 310 OD1 ASP A 25 -6.426 -3.583 -11.239 1.00 0.00 O ATOM 311 OD2 ASP A 25 -5.412 -3.500 -13.176 1.00 0.00 O ATOM 0 H ASP A 25 -5.661 -2.354 -9.542 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.406 -1.857 -11.052 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.305 -0.949 -11.518 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.078 -1.023 -12.767 1.00 0.00 H new ATOM 316 N GLU A 26 -4.761 0.989 -10.010 1.00 0.00 N ATOM 317 CA GLU A 26 -4.537 2.454 -9.915 1.00 0.00 C ATOM 318 C GLU A 26 -3.376 2.796 -8.950 1.00 0.00 C ATOM 319 O GLU A 26 -2.620 3.742 -9.193 1.00 0.00 O ATOM 320 CB GLU A 26 -5.840 3.186 -9.495 1.00 0.00 C ATOM 321 CG GLU A 26 -6.296 2.964 -8.047 1.00 0.00 C ATOM 322 CD GLU A 26 -7.646 3.622 -7.748 1.00 0.00 C ATOM 323 OE1 GLU A 26 -7.704 4.867 -7.632 1.00 0.00 O ATOM 324 OE2 GLU A 26 -8.665 2.910 -7.669 1.00 0.00 O ATOM 0 H GLU A 26 -5.610 0.666 -9.546 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.250 2.805 -10.906 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.700 4.256 -9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.643 2.869 -10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.366 1.894 -7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.543 3.363 -7.367 1.00 0.00 H new ATOM 331 N VAL A 27 -3.240 2.011 -7.866 1.00 0.00 N ATOM 332 CA VAL A 27 -2.163 2.188 -6.870 1.00 0.00 C ATOM 333 C VAL A 27 -0.802 1.820 -7.493 1.00 0.00 C ATOM 334 O VAL A 27 0.164 2.576 -7.389 1.00 0.00 O ATOM 335 CB VAL A 27 -2.433 1.311 -5.593 1.00 0.00 C ATOM 336 CG1 VAL A 27 -1.302 1.466 -4.541 1.00 0.00 C ATOM 337 CG2 VAL A 27 -3.812 1.653 -4.974 1.00 0.00 C ATOM 0 H VAL A 27 -3.871 1.238 -7.654 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.143 3.235 -6.566 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.445 0.268 -5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.524 0.845 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.354 1.153 -4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.233 2.509 -4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.978 1.035 -4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.832 2.705 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.597 1.460 -5.705 1.00 0.00 H new ATOM 347 N GLN A 28 -0.774 0.672 -8.189 1.00 0.00 N ATOM 348 CA GLN A 28 0.435 0.145 -8.844 1.00 0.00 C ATOM 349 C GLN A 28 0.920 1.082 -9.958 1.00 0.00 C ATOM 350 O GLN A 28 2.127 1.290 -10.117 1.00 0.00 O ATOM 351 CB GLN A 28 0.177 -1.278 -9.402 1.00 0.00 C ATOM 352 CG GLN A 28 1.364 -1.877 -10.182 1.00 0.00 C ATOM 353 CD GLN A 28 1.215 -3.363 -10.446 1.00 0.00 C ATOM 354 OE1 GLN A 28 1.617 -4.183 -9.629 1.00 0.00 O ATOM 355 NE2 GLN A 28 0.654 -3.723 -11.581 1.00 0.00 N ATOM 0 H GLN A 28 -1.595 0.079 -8.314 1.00 0.00 H new ATOM 0 HA GLN A 28 1.222 0.086 -8.092 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.070 -1.941 -8.573 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.694 -1.247 -10.056 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.467 -1.354 -11.133 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.283 -1.704 -9.622 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.331 -3.013 -12.238 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.542 -4.712 -11.804 1.00 0.00 H new ATOM 364 N ARG A 29 -0.041 1.625 -10.728 1.00 0.00 N ATOM 365 CA ARG A 29 0.231 2.652 -11.744 1.00 0.00 C ATOM 366 C ARG A 29 0.902 3.888 -11.110 1.00 0.00 C ATOM 367 O ARG A 29 1.905 4.388 -11.627 1.00 0.00 O ATOM 368 CB ARG A 29 -1.080 3.078 -12.464 1.00 0.00 C ATOM 369 CG ARG A 29 -0.897 4.268 -13.434 1.00 0.00 C ATOM 370 CD ARG A 29 -2.187 4.721 -14.119 1.00 0.00 C ATOM 371 NE ARG A 29 -1.962 5.967 -14.881 1.00 0.00 N ATOM 372 CZ ARG A 29 -2.889 6.635 -15.570 1.00 0.00 C ATOM 373 NH1 ARG A 29 -4.111 6.153 -15.713 1.00 0.00 N ATOM 374 NH2 ARG A 29 -2.572 7.797 -16.124 1.00 0.00 N ATOM 0 H ARG A 29 -1.025 1.363 -10.662 1.00 0.00 H new ATOM 0 HA ARG A 29 0.912 2.220 -12.478 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.473 2.226 -13.018 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.826 3.343 -11.715 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.476 5.110 -12.884 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.171 3.991 -14.198 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.544 3.938 -14.789 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.965 4.881 -13.372 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.016 6.349 -14.880 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.358 5.257 -15.293 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.807 6.677 -16.243 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.628 8.171 -16.021 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.272 8.317 -16.653 1.00 0.00 H new ATOM 388 N PHE A 30 0.345 4.355 -9.980 1.00 0.00 N ATOM 389 CA PHE A 30 0.844 5.556 -9.290 1.00 0.00 C ATOM 390 C PHE A 30 2.262 5.314 -8.727 1.00 0.00 C ATOM 391 O PHE A 30 3.078 6.221 -8.707 1.00 0.00 O ATOM 392 CB PHE A 30 -0.130 5.984 -8.166 1.00 0.00 C ATOM 393 CG PHE A 30 0.229 7.322 -7.509 1.00 0.00 C ATOM 394 CD1 PHE A 30 0.123 8.513 -8.227 1.00 0.00 C ATOM 395 CD2 PHE A 30 0.679 7.391 -6.190 1.00 0.00 C ATOM 396 CE1 PHE A 30 0.450 9.724 -7.647 1.00 0.00 C ATOM 397 CE2 PHE A 30 1.005 8.603 -5.611 1.00 0.00 C ATOM 398 CZ PHE A 30 0.890 9.771 -6.337 1.00 0.00 C ATOM 0 H PHE A 30 -0.455 3.916 -9.523 1.00 0.00 H new ATOM 0 HA PHE A 30 0.903 6.367 -10.015 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.137 6.051 -8.577 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.149 5.208 -7.401 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.220 8.489 -9.251 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.774 6.483 -5.613 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.362 10.636 -8.218 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.350 8.636 -4.588 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.143 10.718 -5.884 1.00 0.00 H new ATOM 408 N PHE A 31 2.541 4.063 -8.313 1.00 0.00 N ATOM 409 CA PHE A 31 3.859 3.642 -7.783 1.00 0.00 C ATOM 410 C PHE A 31 4.623 2.796 -8.829 1.00 0.00 C ATOM 411 O PHE A 31 5.350 1.859 -8.490 1.00 0.00 O ATOM 412 CB PHE A 31 3.648 2.861 -6.454 1.00 0.00 C ATOM 413 CG PHE A 31 3.139 3.739 -5.309 1.00 0.00 C ATOM 414 CD1 PHE A 31 4.027 4.471 -4.523 1.00 0.00 C ATOM 415 CD2 PHE A 31 1.780 3.853 -5.034 1.00 0.00 C ATOM 416 CE1 PHE A 31 3.570 5.287 -3.504 1.00 0.00 C ATOM 417 CE2 PHE A 31 1.329 4.664 -4.017 1.00 0.00 C ATOM 418 CZ PHE A 31 2.220 5.383 -3.252 1.00 0.00 C ATOM 0 H PHE A 31 1.855 3.308 -8.336 1.00 0.00 H new ATOM 0 HA PHE A 31 4.470 4.521 -7.577 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.938 2.052 -6.625 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.591 2.401 -6.158 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.088 4.400 -4.712 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.069 3.297 -5.627 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.272 5.849 -2.906 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.270 4.737 -3.818 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.861 6.020 -2.457 1.00 0.00 H new ATOM 428 N SER A 32 4.456 3.164 -10.109 1.00 0.00 N ATOM 429 CA SER A 32 5.165 2.524 -11.236 1.00 0.00 C ATOM 430 C SER A 32 6.708 2.661 -11.123 1.00 0.00 C ATOM 431 O SER A 32 7.431 1.797 -11.628 1.00 0.00 O ATOM 432 CB SER A 32 4.665 3.107 -12.575 1.00 0.00 C ATOM 433 OG SER A 32 5.253 2.461 -13.690 1.00 0.00 O ATOM 0 H SER A 32 3.826 3.914 -10.395 1.00 0.00 H new ATOM 0 HA SER A 32 4.940 1.458 -11.198 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.581 3.009 -12.630 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.891 4.173 -12.613 1.00 0.00 H new ATOM 0 HG SER A 32 4.909 2.858 -14.517 1.00 0.00 H new ATOM 439 N ASP A 33 7.196 3.735 -10.449 1.00 0.00 N ATOM 440 CA ASP A 33 8.660 3.989 -10.250 1.00 0.00 C ATOM 441 C ASP A 33 9.337 2.924 -9.368 1.00 0.00 C ATOM 442 O ASP A 33 10.563 2.799 -9.384 1.00 0.00 O ATOM 443 CB ASP A 33 8.899 5.378 -9.599 1.00 0.00 C ATOM 444 CG ASP A 33 8.367 6.537 -10.444 1.00 0.00 C ATOM 445 OD1 ASP A 33 9.106 7.063 -11.302 1.00 0.00 O ATOM 446 OD2 ASP A 33 7.200 6.920 -10.253 1.00 0.00 O ATOM 0 H ASP A 33 6.598 4.447 -10.029 1.00 0.00 H new ATOM 0 HA ASP A 33 9.103 3.950 -11.245 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.421 5.401 -8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.968 5.517 -9.435 1.00 0.00 H new ATOM 451 N CYS A 34 8.532 2.169 -8.609 1.00 0.00 N ATOM 452 CA CYS A 34 9.030 1.180 -7.636 1.00 0.00 C ATOM 453 C CYS A 34 8.697 -0.242 -8.116 1.00 0.00 C ATOM 454 O CYS A 34 7.584 -0.499 -8.588 1.00 0.00 O ATOM 455 CB CYS A 34 8.442 1.470 -6.233 1.00 0.00 C ATOM 456 SG CYS A 34 6.652 1.333 -6.091 1.00 0.00 S ATOM 0 H CYS A 34 7.514 2.225 -8.650 1.00 0.00 H new ATOM 0 HA CYS A 34 10.115 1.258 -7.559 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.898 0.784 -5.520 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.735 2.478 -5.938 1.00 0.00 H new ATOM 0 HG CYS A 34 6.103 1.612 -7.236 1.00 0.00 H new ATOM 462 N LYS A 35 9.693 -1.149 -8.008 1.00 0.00 N ATOM 463 CA LYS A 35 9.552 -2.566 -8.386 1.00 0.00 C ATOM 464 C LYS A 35 8.740 -3.281 -7.300 1.00 0.00 C ATOM 465 O LYS A 35 9.284 -3.657 -6.254 1.00 0.00 O ATOM 466 CB LYS A 35 10.939 -3.257 -8.576 1.00 0.00 C ATOM 467 CG LYS A 35 11.795 -2.687 -9.731 1.00 0.00 C ATOM 468 CD LYS A 35 13.123 -3.464 -9.937 1.00 0.00 C ATOM 469 CE LYS A 35 14.107 -3.331 -8.758 1.00 0.00 C ATOM 470 NZ LYS A 35 14.679 -1.964 -8.664 1.00 0.00 N ATOM 0 H LYS A 35 10.620 -0.914 -7.654 1.00 0.00 H new ATOM 0 HA LYS A 35 9.036 -2.626 -9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.503 -3.170 -7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.778 -4.321 -8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.216 -2.715 -10.654 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.020 -1.640 -9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.896 -4.519 -10.093 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.607 -3.105 -10.845 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.594 -3.574 -7.828 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.914 -4.055 -8.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.880 -1.740 -7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.560 -1.918 -9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.998 -1.276 -9.043 1.00 0.00 H new ATOM 484 N ILE A 36 7.425 -3.404 -7.539 1.00 0.00 N ATOM 485 CA ILE A 36 6.486 -4.008 -6.587 1.00 0.00 C ATOM 486 C ILE A 36 6.603 -5.541 -6.670 1.00 0.00 C ATOM 487 O ILE A 36 6.463 -6.117 -7.756 1.00 0.00 O ATOM 488 CB ILE A 36 5.010 -3.530 -6.875 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.959 -1.963 -6.932 1.00 0.00 C ATOM 490 CG2 ILE A 36 4.001 -4.087 -5.836 1.00 0.00 C ATOM 491 CD1 ILE A 36 3.593 -1.359 -7.218 1.00 0.00 C ATOM 0 H ILE A 36 6.984 -3.085 -8.402 1.00 0.00 H new ATOM 0 HA ILE A 36 6.737 -3.687 -5.576 1.00 0.00 H new ATOM 0 HB ILE A 36 4.710 -3.930 -7.844 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.317 -1.571 -5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.655 -1.623 -7.699 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.999 -3.731 -6.075 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.015 -5.177 -5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.279 -3.745 -4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.672 -0.272 -7.235 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.234 -1.712 -8.185 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.892 -1.660 -6.439 1.00 0.00 H new ATOM 503 N GLN A 37 6.893 -6.166 -5.516 1.00 0.00 N ATOM 504 CA GLN A 37 7.149 -7.616 -5.396 1.00 0.00 C ATOM 505 C GLN A 37 5.897 -8.435 -5.797 1.00 0.00 C ATOM 506 O GLN A 37 4.803 -8.193 -5.289 1.00 0.00 O ATOM 507 CB GLN A 37 7.622 -7.930 -3.938 1.00 0.00 C ATOM 508 CG GLN A 37 7.937 -9.429 -3.609 1.00 0.00 C ATOM 509 CD GLN A 37 6.804 -10.182 -2.883 1.00 0.00 C ATOM 510 OE1 GLN A 37 5.615 -9.893 -3.054 1.00 0.00 O ATOM 511 NE2 GLN A 37 7.166 -11.159 -2.069 1.00 0.00 N ATOM 0 H GLN A 37 6.958 -5.673 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 37 7.941 -7.910 -6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.517 -7.342 -3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.852 -7.585 -3.248 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.164 -9.951 -4.539 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.835 -9.470 -2.993 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.154 -11.379 -1.944 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.457 -11.693 -1.566 1.00 0.00 H new ATOM 520 N ASN A 38 6.096 -9.375 -6.756 1.00 0.00 N ATOM 521 CA ASN A 38 5.035 -10.244 -7.340 1.00 0.00 C ATOM 522 C ASN A 38 3.933 -9.406 -8.039 1.00 0.00 C ATOM 523 O ASN A 38 2.801 -9.875 -8.243 1.00 0.00 O ATOM 524 CB ASN A 38 4.443 -11.221 -6.279 1.00 0.00 C ATOM 525 CG ASN A 38 5.491 -12.138 -5.640 1.00 0.00 C ATOM 526 OD1 ASN A 38 6.538 -12.430 -6.223 1.00 0.00 O ATOM 527 ND2 ASN A 38 5.199 -12.620 -4.448 1.00 0.00 N ATOM 0 H ASN A 38 7.017 -9.556 -7.155 1.00 0.00 H new ATOM 0 HA ASN A 38 5.503 -10.858 -8.109 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.953 -10.641 -5.496 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.674 -11.834 -6.750 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.848 -13.254 -3.981 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.325 -12.359 -3.993 1.00 0.00 H new ATOM 534 N GLY A 39 4.306 -8.171 -8.441 1.00 0.00 N ATOM 535 CA GLY A 39 3.373 -7.211 -9.036 1.00 0.00 C ATOM 536 C GLY A 39 2.254 -6.818 -8.077 1.00 0.00 C ATOM 537 O GLY A 39 2.513 -6.579 -6.897 1.00 0.00 O ATOM 0 H GLY A 39 5.260 -7.820 -8.359 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.919 -6.318 -9.339 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.940 -7.641 -9.939 1.00 0.00 H new ATOM 541 N ALA A 40 1.005 -6.793 -8.583 1.00 0.00 N ATOM 542 CA ALA A 40 -0.206 -6.486 -7.788 1.00 0.00 C ATOM 543 C ALA A 40 -0.374 -7.399 -6.556 1.00 0.00 C ATOM 544 O ALA A 40 -1.053 -7.019 -5.597 1.00 0.00 O ATOM 545 CB ALA A 40 -1.448 -6.581 -8.685 1.00 0.00 C ATOM 0 H ALA A 40 0.804 -6.987 -9.564 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.088 -5.471 -7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.339 -6.355 -8.099 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.361 -5.866 -9.503 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.527 -7.589 -9.091 1.00 0.00 H new ATOM 551 N GLN A 41 0.251 -8.598 -6.586 1.00 0.00 N ATOM 552 CA GLN A 41 0.144 -9.577 -5.480 1.00 0.00 C ATOM 553 C GLN A 41 0.860 -9.054 -4.208 1.00 0.00 C ATOM 554 O GLN A 41 0.532 -9.469 -3.090 1.00 0.00 O ATOM 555 CB GLN A 41 0.736 -10.953 -5.906 1.00 0.00 C ATOM 556 CG GLN A 41 0.215 -12.170 -5.097 1.00 0.00 C ATOM 557 CD GLN A 41 -1.198 -12.595 -5.524 1.00 0.00 C ATOM 558 OE1 GLN A 41 -1.355 -13.485 -6.359 1.00 0.00 O ATOM 559 NE2 GLN A 41 -2.225 -11.905 -5.042 1.00 0.00 N ATOM 0 H GLN A 41 0.834 -8.911 -7.363 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.913 -9.710 -5.249 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.515 -11.116 -6.961 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.821 -10.910 -5.811 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.899 -13.009 -5.227 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.212 -11.923 -4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.067 -11.172 -4.350 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.172 -12.108 -5.363 1.00 0.00 H new ATOM 568 N GLY A 42 1.804 -8.109 -4.405 1.00 0.00 N ATOM 569 CA GLY A 42 2.526 -7.456 -3.306 1.00 0.00 C ATOM 570 C GLY A 42 1.701 -6.378 -2.607 1.00 0.00 C ATOM 571 O GLY A 42 2.034 -5.957 -1.490 1.00 0.00 O ATOM 0 H GLY A 42 2.082 -7.782 -5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.823 -8.209 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.442 -7.010 -3.695 1.00 0.00 H new ATOM 575 N ILE A 43 0.617 -5.923 -3.265 1.00 0.00 N ATOM 576 CA ILE A 43 -0.289 -4.907 -2.713 1.00 0.00 C ATOM 577 C ILE A 43 -1.368 -5.591 -1.843 1.00 0.00 C ATOM 578 O ILE A 43 -2.128 -6.441 -2.321 1.00 0.00 O ATOM 579 CB ILE A 43 -0.966 -4.059 -3.854 1.00 0.00 C ATOM 580 CG1 ILE A 43 0.119 -3.478 -4.827 1.00 0.00 C ATOM 581 CG2 ILE A 43 -1.846 -2.924 -3.260 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.432 -2.651 -5.985 1.00 0.00 C ATOM 0 H ILE A 43 0.348 -6.251 -4.193 1.00 0.00 H new ATOM 0 HA ILE A 43 0.297 -4.225 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.618 -4.719 -4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.807 -2.858 -4.252 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.700 -4.305 -5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.301 -2.355 -4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.628 -3.358 -2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.226 -2.262 -2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.393 -2.293 -6.601 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.096 -3.269 -6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.987 -1.799 -5.592 1.00 0.00 H new ATOM 594 N ARG A 44 -1.386 -5.223 -0.554 1.00 0.00 N ATOM 595 CA ARG A 44 -2.366 -5.712 0.433 1.00 0.00 C ATOM 596 C ARG A 44 -3.101 -4.527 1.060 1.00 0.00 C ATOM 597 O ARG A 44 -2.600 -3.910 1.990 1.00 0.00 O ATOM 598 CB ARG A 44 -1.695 -6.599 1.540 1.00 0.00 C ATOM 599 CG ARG A 44 -1.530 -8.097 1.172 1.00 0.00 C ATOM 600 CD ARG A 44 -0.376 -8.383 0.204 1.00 0.00 C ATOM 601 NE ARG A 44 0.942 -8.208 0.842 1.00 0.00 N ATOM 602 CZ ARG A 44 2.089 -8.703 0.370 1.00 0.00 C ATOM 603 NH1 ARG A 44 2.122 -9.418 -0.736 1.00 0.00 N ATOM 604 NH2 ARG A 44 3.204 -8.493 1.011 1.00 0.00 N ATOM 0 H ARG A 44 -0.711 -4.568 -0.160 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.082 -6.346 -0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.712 -6.186 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.290 -6.528 2.451 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.373 -8.669 2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.459 -8.455 0.728 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.463 -9.402 -0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.452 -7.718 -0.656 1.00 0.00 H new ATOM 0 HE ARG A 44 0.980 -7.669 1.707 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.260 -9.603 -1.250 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.009 -9.787 -1.079 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.201 -7.950 1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.079 -8.872 0.649 1.00 0.00 H new ATOM 618 N PHE A 45 -4.303 -4.225 0.540 1.00 0.00 N ATOM 619 CA PHE A 45 -5.183 -3.174 1.099 1.00 0.00 C ATOM 620 C PHE A 45 -5.658 -3.586 2.491 1.00 0.00 C ATOM 621 O PHE A 45 -5.900 -4.775 2.733 1.00 0.00 O ATOM 622 CB PHE A 45 -6.426 -2.922 0.199 1.00 0.00 C ATOM 623 CG PHE A 45 -6.105 -2.382 -1.188 1.00 0.00 C ATOM 624 CD1 PHE A 45 -5.775 -3.239 -2.234 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.136 -1.012 -1.438 1.00 0.00 C ATOM 626 CE1 PHE A 45 -5.485 -2.741 -3.483 1.00 0.00 C ATOM 627 CE2 PHE A 45 -5.847 -0.517 -2.688 1.00 0.00 C ATOM 628 CZ PHE A 45 -5.518 -1.380 -3.708 1.00 0.00 C ATOM 0 H PHE A 45 -4.694 -4.697 -0.275 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.602 -2.253 1.150 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.976 -3.857 0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.088 -2.218 0.704 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.746 -4.305 -2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.390 -0.330 -0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.231 -3.415 -4.288 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.878 0.547 -2.869 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.285 -0.991 -4.688 1.00 0.00 H new ATOM 638 N ILE A 46 -5.771 -2.619 3.411 1.00 0.00 N ATOM 639 CA ILE A 46 -6.406 -2.859 4.703 1.00 0.00 C ATOM 640 C ILE A 46 -7.918 -2.867 4.472 1.00 0.00 C ATOM 641 O ILE A 46 -8.565 -1.822 4.493 1.00 0.00 O ATOM 642 CB ILE A 46 -5.993 -1.775 5.772 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.435 -1.677 5.875 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.639 -2.080 7.146 1.00 0.00 C ATOM 645 CD1 ILE A 46 -3.889 -0.763 6.975 1.00 0.00 C ATOM 0 H ILE A 46 -5.430 -1.667 3.280 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.076 -3.816 5.108 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.367 -0.804 5.447 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.038 -2.680 6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.049 -1.329 4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.339 -1.319 7.866 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.724 -2.078 7.046 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.309 -3.059 7.494 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.799 -0.775 6.950 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.245 0.254 6.813 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.234 -1.117 7.947 1.00 0.00 H new ATOM 657 N TYR A 47 -8.453 -4.043 4.124 1.00 0.00 N ATOM 658 CA TYR A 47 -9.902 -4.235 4.004 1.00 0.00 C ATOM 659 C TYR A 47 -10.474 -4.316 5.411 1.00 0.00 C ATOM 660 O TYR A 47 -9.923 -5.033 6.233 1.00 0.00 O ATOM 661 CB TYR A 47 -10.250 -5.533 3.222 1.00 0.00 C ATOM 662 CG TYR A 47 -9.704 -5.581 1.789 1.00 0.00 C ATOM 663 CD1 TYR A 47 -10.349 -4.901 0.753 1.00 0.00 C ATOM 664 CD2 TYR A 47 -8.549 -6.294 1.475 1.00 0.00 C ATOM 665 CE1 TYR A 47 -9.857 -4.930 -0.537 1.00 0.00 C ATOM 666 CE2 TYR A 47 -8.051 -6.325 0.185 1.00 0.00 C ATOM 667 CZ TYR A 47 -8.709 -5.644 -0.818 1.00 0.00 C ATOM 668 OH TYR A 47 -8.220 -5.666 -2.111 1.00 0.00 O ATOM 0 H TYR A 47 -7.903 -4.877 3.920 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.330 -3.400 3.449 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.862 -6.389 3.774 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.334 -5.641 3.188 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.249 -4.342 0.965 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.032 -6.834 2.255 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.369 -4.396 -1.324 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.151 -6.880 -0.036 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.562 -4.948 -2.224 1.00 0.00 H new ATOM 678 N THR A 48 -11.577 -3.614 5.689 1.00 0.00 N ATOM 679 CA THR A 48 -12.250 -3.691 6.998 1.00 0.00 C ATOM 680 C THR A 48 -13.089 -4.991 7.058 1.00 0.00 C ATOM 681 O THR A 48 -13.057 -5.801 6.116 1.00 0.00 O ATOM 682 CB THR A 48 -13.127 -2.405 7.249 1.00 0.00 C ATOM 683 OG1 THR A 48 -13.773 -2.448 8.529 1.00 0.00 O ATOM 684 CG2 THR A 48 -14.183 -2.184 6.153 1.00 0.00 C ATOM 0 H THR A 48 -12.027 -2.983 5.026 1.00 0.00 H new ATOM 0 HA THR A 48 -11.508 -3.724 7.796 1.00 0.00 H new ATOM 0 HB THR A 48 -12.432 -1.565 7.224 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.307 -1.636 8.653 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.757 -1.285 6.377 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.688 -2.067 5.189 1.00 0.00 H new ATOM 0 HG23 THR A 48 -14.853 -3.043 6.115 1.00 0.00 H new ATOM 692 N ARG A 49 -13.847 -5.183 8.148 1.00 0.00 N ATOM 693 CA ARG A 49 -14.711 -6.379 8.342 1.00 0.00 C ATOM 694 C ARG A 49 -15.913 -6.367 7.347 1.00 0.00 C ATOM 695 O ARG A 49 -16.651 -7.345 7.239 1.00 0.00 O ATOM 696 CB ARG A 49 -15.170 -6.461 9.847 1.00 0.00 C ATOM 697 CG ARG A 49 -15.375 -7.901 10.418 1.00 0.00 C ATOM 698 CD ARG A 49 -16.759 -8.517 10.112 1.00 0.00 C ATOM 699 NE ARG A 49 -17.854 -7.795 10.792 1.00 0.00 N ATOM 700 CZ ARG A 49 -19.124 -7.735 10.375 1.00 0.00 C ATOM 701 NH1 ARG A 49 -19.498 -8.253 9.207 1.00 0.00 N ATOM 702 NH2 ARG A 49 -20.017 -7.128 11.131 1.00 0.00 N ATOM 0 H ARG A 49 -13.885 -4.521 8.923 1.00 0.00 H new ATOM 0 HA ARG A 49 -14.140 -7.280 8.120 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.429 -5.949 10.461 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -16.106 -5.912 9.952 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.602 -8.554 10.011 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.233 -7.874 11.498 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -16.931 -8.504 9.036 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.767 -9.562 10.423 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.622 -7.300 11.653 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.810 -8.709 8.607 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -20.473 -8.194 8.912 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -19.736 -6.713 12.019 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -20.989 -7.073 10.828 1.00 0.00 H new ATOM 716 N GLU A 50 -16.051 -5.266 6.585 1.00 0.00 N ATOM 717 CA GLU A 50 -17.082 -5.089 5.542 1.00 0.00 C ATOM 718 C GLU A 50 -16.494 -5.345 4.133 1.00 0.00 C ATOM 719 O GLU A 50 -17.216 -5.263 3.135 1.00 0.00 O ATOM 720 CB GLU A 50 -17.635 -3.647 5.636 1.00 0.00 C ATOM 721 CG GLU A 50 -18.173 -3.270 7.027 1.00 0.00 C ATOM 722 CD GLU A 50 -18.624 -1.809 7.114 1.00 0.00 C ATOM 723 OE1 GLU A 50 -17.765 -0.924 7.293 1.00 0.00 O ATOM 724 OE2 GLU A 50 -19.835 -1.534 6.989 1.00 0.00 O ATOM 0 H GLU A 50 -15.437 -4.457 6.678 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.884 -5.809 5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.845 -2.948 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.434 -3.527 4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -19.012 -3.920 7.275 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.398 -3.451 7.772 1.00 0.00 H new ATOM 731 N GLY A 51 -15.175 -5.623 4.071 1.00 0.00 N ATOM 732 CA GLY A 51 -14.482 -5.979 2.822 1.00 0.00 C ATOM 733 C GLY A 51 -14.160 -4.800 1.900 1.00 0.00 C ATOM 734 O GLY A 51 -14.219 -4.933 0.670 1.00 0.00 O ATOM 0 H GLY A 51 -14.563 -5.606 4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.552 -6.488 3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.098 -6.692 2.273 1.00 0.00 H new ATOM 738 N ARG A 52 -13.802 -3.643 2.488 1.00 0.00 N ATOM 739 CA ARG A 52 -13.490 -2.398 1.729 1.00 0.00 C ATOM 740 C ARG A 52 -12.172 -1.769 2.230 1.00 0.00 C ATOM 741 O ARG A 52 -11.953 -1.744 3.445 1.00 0.00 O ATOM 742 CB ARG A 52 -14.635 -1.357 1.878 1.00 0.00 C ATOM 743 CG ARG A 52 -16.015 -1.841 1.399 1.00 0.00 C ATOM 744 CD ARG A 52 -17.101 -0.765 1.547 1.00 0.00 C ATOM 745 NE ARG A 52 -18.425 -1.290 1.201 1.00 0.00 N ATOM 746 CZ ARG A 52 -19.374 -1.663 2.074 1.00 0.00 C ATOM 747 NH1 ARG A 52 -19.162 -1.586 3.388 1.00 0.00 N ATOM 748 NH2 ARG A 52 -20.535 -2.109 1.624 1.00 0.00 N ATOM 0 H ARG A 52 -13.719 -3.536 3.499 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.386 -2.671 0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.711 -1.069 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.366 -0.460 1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.948 -2.143 0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.304 -2.725 1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.111 -0.395 2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.865 0.083 0.904 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.645 -1.380 0.209 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.270 -1.240 3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.892 -1.873 4.040 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.704 -2.168 0.620 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.261 -2.394 2.281 1.00 0.00 H new ATOM 762 N PRO A 53 -11.272 -1.261 1.306 1.00 0.00 N ATOM 763 CA PRO A 53 -10.047 -0.504 1.695 1.00 0.00 C ATOM 764 C PRO A 53 -10.380 0.680 2.627 1.00 0.00 C ATOM 765 O PRO A 53 -11.094 1.603 2.233 1.00 0.00 O ATOM 766 CB PRO A 53 -9.472 -0.014 0.336 1.00 0.00 C ATOM 767 CG PRO A 53 -9.987 -1.009 -0.662 1.00 0.00 C ATOM 768 CD PRO A 53 -11.366 -1.402 -0.173 1.00 0.00 C ATOM 0 HA PRO A 53 -9.340 -1.113 2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.809 0.996 0.102 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.382 0.009 0.350 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.035 -0.574 -1.660 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.331 -1.877 -0.724 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.138 -0.754 -0.588 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.617 -2.422 -0.462 1.00 0.00 H new ATOM 776 N SER A 54 -9.843 0.646 3.852 1.00 0.00 N ATOM 777 CA SER A 54 -10.222 1.565 4.935 1.00 0.00 C ATOM 778 C SER A 54 -9.291 2.793 4.973 1.00 0.00 C ATOM 779 O SER A 54 -8.938 3.309 6.048 1.00 0.00 O ATOM 780 CB SER A 54 -10.232 0.783 6.269 1.00 0.00 C ATOM 781 OG SER A 54 -8.995 0.145 6.504 1.00 0.00 O ATOM 0 H SER A 54 -9.126 -0.027 4.124 1.00 0.00 H new ATOM 0 HA SER A 54 -11.224 1.956 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.453 1.465 7.090 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.028 0.039 6.250 1.00 0.00 H new ATOM 0 HG SER A 54 -8.906 -0.627 5.907 1.00 0.00 H new ATOM 787 N GLY A 55 -8.952 3.295 3.769 1.00 0.00 N ATOM 788 CA GLY A 55 -8.094 4.468 3.610 1.00 0.00 C ATOM 789 C GLY A 55 -6.646 4.109 3.304 1.00 0.00 C ATOM 790 O GLY A 55 -5.985 4.808 2.528 1.00 0.00 O ATOM 0 H GLY A 55 -9.269 2.894 2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.486 5.091 2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.130 5.064 4.522 1.00 0.00 H new ATOM 794 N GLU A 56 -6.149 3.018 3.932 1.00 0.00 N ATOM 795 CA GLU A 56 -4.740 2.586 3.808 1.00 0.00 C ATOM 796 C GLU A 56 -4.595 1.281 3.002 1.00 0.00 C ATOM 797 O GLU A 56 -5.549 0.511 2.830 1.00 0.00 O ATOM 798 CB GLU A 56 -4.082 2.384 5.198 1.00 0.00 C ATOM 799 CG GLU A 56 -4.155 3.589 6.147 1.00 0.00 C ATOM 800 CD GLU A 56 -3.276 3.424 7.400 1.00 0.00 C ATOM 801 OE1 GLU A 56 -3.555 2.521 8.222 1.00 0.00 O ATOM 802 OE2 GLU A 56 -2.290 4.180 7.564 1.00 0.00 O ATOM 0 H GLU A 56 -6.711 2.417 4.535 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.231 3.388 3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.556 1.532 5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.034 2.124 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.847 4.486 5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.190 3.740 6.454 1.00 0.00 H new ATOM 809 N ALA A 57 -3.360 1.070 2.540 1.00 0.00 N ATOM 810 CA ALA A 57 -2.902 -0.162 1.892 1.00 0.00 C ATOM 811 C ALA A 57 -1.419 -0.371 2.188 1.00 0.00 C ATOM 812 O ALA A 57 -0.741 0.526 2.685 1.00 0.00 O ATOM 813 CB ALA A 57 -3.125 -0.098 0.369 1.00 0.00 C ATOM 0 H ALA A 57 -2.627 1.776 2.609 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.479 -0.998 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.777 -1.024 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.187 0.032 0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.569 0.743 -0.045 1.00 0.00 H new ATOM 819 N PHE A 58 -0.946 -1.579 1.923 1.00 0.00 N ATOM 820 CA PHE A 58 0.480 -1.924 1.890 1.00 0.00 C ATOM 821 C PHE A 58 0.866 -2.208 0.439 1.00 0.00 C ATOM 822 O PHE A 58 0.048 -2.715 -0.323 1.00 0.00 O ATOM 823 CB PHE A 58 0.757 -3.176 2.762 1.00 0.00 C ATOM 824 CG PHE A 58 0.249 -3.051 4.193 1.00 0.00 C ATOM 825 CD1 PHE A 58 0.851 -2.172 5.080 1.00 0.00 C ATOM 826 CD2 PHE A 58 -0.836 -3.806 4.647 1.00 0.00 C ATOM 827 CE1 PHE A 58 0.393 -2.043 6.371 1.00 0.00 C ATOM 828 CE2 PHE A 58 -1.290 -3.674 5.942 1.00 0.00 C ATOM 829 CZ PHE A 58 -0.675 -2.790 6.802 1.00 0.00 C ATOM 0 H PHE A 58 -1.554 -2.372 1.719 1.00 0.00 H new ATOM 0 HA PHE A 58 1.069 -1.098 2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.291 -4.043 2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.831 -3.363 2.782 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.692 -1.579 4.753 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.323 -4.499 3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.875 -1.352 7.047 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.128 -4.264 6.283 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.033 -2.685 7.815 1.00 0.00 H new ATOM 839 N VAL A 59 2.092 -1.851 0.063 1.00 0.00 N ATOM 840 CA VAL A 59 2.674 -2.155 -1.249 1.00 0.00 C ATOM 841 C VAL A 59 4.098 -2.649 -1.002 1.00 0.00 C ATOM 842 O VAL A 59 4.983 -1.855 -0.638 1.00 0.00 O ATOM 843 CB VAL A 59 2.667 -0.893 -2.201 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.489 -1.129 -3.494 1.00 0.00 C ATOM 845 CG2 VAL A 59 1.223 -0.469 -2.556 1.00 0.00 C ATOM 0 H VAL A 59 2.724 -1.332 0.672 1.00 0.00 H new ATOM 0 HA VAL A 59 2.081 -2.916 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 59 3.145 -0.084 -1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.454 -0.234 -4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.524 -1.349 -3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.068 -1.970 -4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.250 0.401 -3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.717 -1.290 -3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.682 -0.219 -1.643 1.00 0.00 H new ATOM 855 N GLU A 60 4.306 -3.967 -1.150 1.00 0.00 N ATOM 856 CA GLU A 60 5.611 -4.593 -0.899 1.00 0.00 C ATOM 857 C GLU A 60 6.502 -4.411 -2.124 1.00 0.00 C ATOM 858 O GLU A 60 6.044 -4.527 -3.261 1.00 0.00 O ATOM 859 CB GLU A 60 5.475 -6.092 -0.511 1.00 0.00 C ATOM 860 CG GLU A 60 6.831 -6.795 -0.244 1.00 0.00 C ATOM 861 CD GLU A 60 6.719 -8.197 0.377 1.00 0.00 C ATOM 862 OE1 GLU A 60 5.834 -8.974 -0.032 1.00 0.00 O ATOM 863 OE2 GLU A 60 7.503 -8.526 1.302 1.00 0.00 O ATOM 0 H GLU A 60 3.581 -4.622 -1.444 1.00 0.00 H new ATOM 0 HA GLU A 60 6.073 -4.099 -0.045 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.853 -6.172 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.955 -6.619 -1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.376 -6.872 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.426 -6.166 0.418 1.00 0.00 H new ATOM 870 N LEU A 61 7.776 -4.124 -1.858 1.00 0.00 N ATOM 871 CA LEU A 61 8.761 -3.702 -2.856 1.00 0.00 C ATOM 872 C LEU A 61 10.015 -4.576 -2.731 1.00 0.00 C ATOM 873 O LEU A 61 10.418 -4.924 -1.620 1.00 0.00 O ATOM 874 CB LEU A 61 9.077 -2.194 -2.632 1.00 0.00 C ATOM 875 CG LEU A 61 7.829 -1.241 -2.711 1.00 0.00 C ATOM 876 CD1 LEU A 61 8.165 0.207 -2.329 1.00 0.00 C ATOM 877 CD2 LEU A 61 7.176 -1.300 -4.102 1.00 0.00 C ATOM 0 H LEU A 61 8.163 -4.180 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 61 8.373 -3.825 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.545 -2.076 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.807 -1.876 -3.376 1.00 0.00 H new ATOM 0 HG LEU A 61 7.113 -1.605 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.267 0.820 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.542 0.235 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.925 0.595 -3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.316 -0.631 -4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.899 -0.991 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.850 -2.319 -4.308 1.00 0.00 H new ATOM 889 N GLU A 62 10.631 -4.919 -3.875 1.00 0.00 N ATOM 890 CA GLU A 62 11.800 -5.819 -3.928 1.00 0.00 C ATOM 891 C GLU A 62 13.030 -5.194 -3.229 1.00 0.00 C ATOM 892 O GLU A 62 13.890 -5.906 -2.705 1.00 0.00 O ATOM 893 CB GLU A 62 12.136 -6.153 -5.408 1.00 0.00 C ATOM 894 CG GLU A 62 13.379 -7.051 -5.601 1.00 0.00 C ATOM 895 CD GLU A 62 13.633 -7.445 -7.065 1.00 0.00 C ATOM 896 OE1 GLU A 62 14.100 -6.591 -7.845 1.00 0.00 O ATOM 897 OE2 GLU A 62 13.362 -8.610 -7.443 1.00 0.00 O ATOM 0 H GLU A 62 10.334 -4.581 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 62 11.548 -6.736 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.275 -6.646 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.290 -5.220 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.256 -6.530 -5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.259 -7.956 -5.006 1.00 0.00 H new ATOM 904 N SER A 63 13.089 -3.858 -3.211 1.00 0.00 N ATOM 905 CA SER A 63 14.227 -3.112 -2.662 1.00 0.00 C ATOM 906 C SER A 63 13.716 -1.941 -1.816 1.00 0.00 C ATOM 907 O SER A 63 12.622 -1.425 -2.066 1.00 0.00 O ATOM 908 CB SER A 63 15.130 -2.611 -3.819 1.00 0.00 C ATOM 909 OG SER A 63 15.520 -3.683 -4.679 1.00 0.00 O ATOM 0 H SER A 63 12.347 -3.262 -3.578 1.00 0.00 H new ATOM 0 HA SER A 63 14.821 -3.764 -2.022 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.598 -1.855 -4.396 1.00 0.00 H new ATOM 0 HB3 SER A 63 16.018 -2.131 -3.408 1.00 0.00 H new ATOM 0 HG SER A 63 16.087 -3.335 -5.399 1.00 0.00 H new ATOM 915 N GLU A 64 14.488 -1.538 -0.789 1.00 0.00 N ATOM 916 CA GLU A 64 14.162 -0.337 0.004 1.00 0.00 C ATOM 917 C GLU A 64 14.551 0.955 -0.752 1.00 0.00 C ATOM 918 O GLU A 64 14.194 2.056 -0.344 1.00 0.00 O ATOM 919 CB GLU A 64 14.785 -0.418 1.423 1.00 0.00 C ATOM 920 CG GLU A 64 14.294 0.684 2.394 1.00 0.00 C ATOM 921 CD GLU A 64 14.418 0.307 3.874 1.00 0.00 C ATOM 922 OE1 GLU A 64 13.537 -0.422 4.376 1.00 0.00 O ATOM 923 OE2 GLU A 64 15.368 0.755 4.552 1.00 0.00 O ATOM 0 H GLU A 64 15.335 -2.022 -0.491 1.00 0.00 H new ATOM 0 HA GLU A 64 13.081 -0.299 0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.557 -1.393 1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.870 -0.353 1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.864 1.595 2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.251 0.911 2.173 1.00 0.00 H new ATOM 930 N ASP A 65 15.258 0.793 -1.883 1.00 0.00 N ATOM 931 CA ASP A 65 15.492 1.874 -2.856 1.00 0.00 C ATOM 932 C ASP A 65 14.142 2.277 -3.477 1.00 0.00 C ATOM 933 O ASP A 65 13.801 3.467 -3.556 1.00 0.00 O ATOM 934 CB ASP A 65 16.483 1.384 -3.943 1.00 0.00 C ATOM 935 CG ASP A 65 16.891 2.483 -4.935 1.00 0.00 C ATOM 936 OD1 ASP A 65 17.855 3.225 -4.648 1.00 0.00 O ATOM 937 OD2 ASP A 65 16.250 2.626 -5.996 1.00 0.00 O ATOM 0 H ASP A 65 15.685 -0.094 -2.149 1.00 0.00 H new ATOM 0 HA ASP A 65 15.930 2.744 -2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.377 0.991 -3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.030 0.559 -4.492 1.00 0.00 H new ATOM 942 N GLU A 66 13.394 1.247 -3.911 1.00 0.00 N ATOM 943 CA GLU A 66 11.995 1.372 -4.370 1.00 0.00 C ATOM 944 C GLU A 66 11.115 2.090 -3.326 1.00 0.00 C ATOM 945 O GLU A 66 10.241 2.886 -3.681 1.00 0.00 O ATOM 946 CB GLU A 66 11.368 -0.025 -4.689 1.00 0.00 C ATOM 947 CG GLU A 66 12.245 -1.015 -5.482 1.00 0.00 C ATOM 948 CD GLU A 66 13.071 -0.358 -6.592 1.00 0.00 C ATOM 949 OE1 GLU A 66 12.512 -0.045 -7.654 1.00 0.00 O ATOM 950 OE2 GLU A 66 14.296 -0.191 -6.419 1.00 0.00 O ATOM 0 H GLU A 66 13.747 0.291 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 66 12.024 1.968 -5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.091 -0.496 -3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.446 0.136 -5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.919 -1.522 -4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.606 -1.780 -5.922 1.00 0.00 H new ATOM 957 N VAL A 67 11.371 1.791 -2.034 1.00 0.00 N ATOM 958 CA VAL A 67 10.658 2.409 -0.905 1.00 0.00 C ATOM 959 C VAL A 67 10.944 3.919 -0.852 1.00 0.00 C ATOM 960 O VAL A 67 10.021 4.695 -0.713 1.00 0.00 O ATOM 961 CB VAL A 67 11.035 1.711 0.456 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.476 2.455 1.690 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.574 0.236 0.460 1.00 0.00 C ATOM 0 H VAL A 67 12.079 1.114 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 67 9.588 2.269 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 67 12.122 1.747 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.769 1.926 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.876 3.469 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.388 2.495 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.844 -0.227 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.493 0.192 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.059 -0.299 -0.356 1.00 0.00 H new ATOM 973 N LYS A 68 12.226 4.310 -0.990 1.00 0.00 N ATOM 974 CA LYS A 68 12.649 5.741 -1.025 1.00 0.00 C ATOM 975 C LYS A 68 11.899 6.545 -2.115 1.00 0.00 C ATOM 976 O LYS A 68 11.492 7.690 -1.888 1.00 0.00 O ATOM 977 CB LYS A 68 14.176 5.854 -1.261 1.00 0.00 C ATOM 978 CG LYS A 68 15.038 5.124 -0.213 1.00 0.00 C ATOM 979 CD LYS A 68 16.555 5.252 -0.482 1.00 0.00 C ATOM 980 CE LYS A 68 17.401 4.483 0.547 1.00 0.00 C ATOM 981 NZ LYS A 68 18.860 4.661 0.327 1.00 0.00 N ATOM 0 H LYS A 68 13.001 3.653 -1.081 1.00 0.00 H new ATOM 0 HA LYS A 68 12.395 6.168 -0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.409 5.454 -2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.453 6.908 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.815 5.525 0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.765 4.069 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.776 4.879 -1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.836 6.305 -0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.144 4.821 1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.155 3.422 0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.387 4.124 1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.113 4.314 -0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.102 5.670 0.402 1.00 0.00 H new ATOM 995 N LEU A 69 11.744 5.924 -3.297 1.00 0.00 N ATOM 996 CA LEU A 69 10.992 6.493 -4.434 1.00 0.00 C ATOM 997 C LEU A 69 9.501 6.675 -4.081 1.00 0.00 C ATOM 998 O LEU A 69 8.918 7.747 -4.293 1.00 0.00 O ATOM 999 CB LEU A 69 11.139 5.562 -5.671 1.00 0.00 C ATOM 1000 CG LEU A 69 12.593 5.388 -6.214 1.00 0.00 C ATOM 1001 CD1 LEU A 69 12.669 4.273 -7.278 1.00 0.00 C ATOM 1002 CD2 LEU A 69 13.144 6.729 -6.762 1.00 0.00 C ATOM 0 H LEU A 69 12.140 5.005 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 69 11.404 7.476 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.747 4.579 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.514 5.953 -6.474 1.00 0.00 H new ATOM 0 HG LEU A 69 13.224 5.083 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.695 4.179 -7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.350 3.328 -6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.016 4.523 -8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.158 6.581 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.507 7.079 -7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.155 7.471 -5.964 1.00 0.00 H new ATOM 1014 N ALA A 70 8.911 5.594 -3.554 1.00 0.00 N ATOM 1015 CA ALA A 70 7.492 5.541 -3.141 1.00 0.00 C ATOM 1016 C ALA A 70 7.157 6.604 -2.059 1.00 0.00 C ATOM 1017 O ALA A 70 6.140 7.297 -2.154 1.00 0.00 O ATOM 1018 CB ALA A 70 7.161 4.121 -2.656 1.00 0.00 C ATOM 0 H ALA A 70 9.408 4.717 -3.398 1.00 0.00 H new ATOM 0 HA ALA A 70 6.870 5.781 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.116 4.075 -2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.334 3.411 -3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.798 3.868 -1.809 1.00 0.00 H new ATOM 1024 N LEU A 71 8.038 6.717 -1.041 1.00 0.00 N ATOM 1025 CA LEU A 71 7.950 7.708 0.067 1.00 0.00 C ATOM 1026 C LEU A 71 7.881 9.168 -0.421 1.00 0.00 C ATOM 1027 O LEU A 71 7.365 10.016 0.283 1.00 0.00 O ATOM 1028 CB LEU A 71 9.158 7.547 1.036 1.00 0.00 C ATOM 1029 CG LEU A 71 9.214 6.230 1.872 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.498 6.161 2.731 1.00 0.00 C ATOM 1031 CD2 LEU A 71 7.955 6.068 2.735 1.00 0.00 C ATOM 0 H LEU A 71 8.853 6.109 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 71 7.015 7.497 0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.075 7.618 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.154 8.389 1.728 1.00 0.00 H new ATOM 0 HG LEU A 71 9.245 5.395 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.505 5.232 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.373 6.195 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.522 7.007 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.022 5.142 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.872 6.912 3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.075 6.035 2.092 1.00 0.00 H new ATOM 1043 N LYS A 72 8.398 9.433 -1.628 1.00 0.00 N ATOM 1044 CA LYS A 72 8.453 10.801 -2.206 1.00 0.00 C ATOM 1045 C LYS A 72 7.103 11.225 -2.815 1.00 0.00 C ATOM 1046 O LYS A 72 6.900 12.393 -3.159 1.00 0.00 O ATOM 1047 CB LYS A 72 9.610 10.896 -3.225 1.00 0.00 C ATOM 1048 CG LYS A 72 10.991 10.826 -2.549 1.00 0.00 C ATOM 1049 CD LYS A 72 12.180 10.851 -3.534 1.00 0.00 C ATOM 1050 CE LYS A 72 13.529 10.926 -2.796 1.00 0.00 C ATOM 1051 NZ LYS A 72 13.708 9.799 -1.836 1.00 0.00 N ATOM 0 H LYS A 72 8.791 8.715 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 72 8.652 11.507 -1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.521 10.086 -3.949 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.527 11.830 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.088 11.664 -1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.046 9.915 -1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.155 9.957 -4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.082 11.707 -4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.341 10.914 -3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.596 11.872 -2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.648 9.374 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.625 10.156 -0.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.976 9.080 -2.005 1.00 0.00 H new ATOM 1065 N LYS A 73 6.180 10.260 -2.919 1.00 0.00 N ATOM 1066 CA LYS A 73 4.793 10.494 -3.367 1.00 0.00 C ATOM 1067 C LYS A 73 3.866 10.805 -2.180 1.00 0.00 C ATOM 1068 O LYS A 73 2.647 10.917 -2.360 1.00 0.00 O ATOM 1069 CB LYS A 73 4.316 9.255 -4.160 1.00 0.00 C ATOM 1070 CG LYS A 73 5.093 9.062 -5.470 1.00 0.00 C ATOM 1071 CD LYS A 73 4.866 7.693 -6.132 1.00 0.00 C ATOM 1072 CE LYS A 73 5.503 7.619 -7.526 1.00 0.00 C ATOM 1073 NZ LYS A 73 6.919 8.067 -7.545 1.00 0.00 N ATOM 0 H LYS A 73 6.373 9.284 -2.693 1.00 0.00 H new ATOM 0 HA LYS A 73 4.760 11.369 -4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.428 8.365 -3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.254 9.357 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.805 9.846 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.157 9.187 -5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.285 6.910 -5.500 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.796 7.501 -6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.448 6.593 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.925 8.233 -8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.348 7.822 -8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.959 9.097 -7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.443 7.596 -6.780 1.00 0.00 H new ATOM 1087 N ASP A 74 4.464 10.943 -0.964 1.00 0.00 N ATOM 1088 CA ASP A 74 3.786 11.449 0.266 1.00 0.00 C ATOM 1089 C ASP A 74 3.184 12.864 0.106 1.00 0.00 C ATOM 1090 O ASP A 74 2.482 13.342 1.001 1.00 0.00 O ATOM 1091 CB ASP A 74 4.786 11.462 1.464 1.00 0.00 C ATOM 1092 CG ASP A 74 5.838 12.604 1.409 1.00 0.00 C ATOM 1093 OD1 ASP A 74 6.563 12.717 0.399 1.00 0.00 O ATOM 1094 OD2 ASP A 74 5.926 13.409 2.369 1.00 0.00 O ATOM 0 H ASP A 74 5.443 10.703 -0.807 1.00 0.00 H new ATOM 0 HA ASP A 74 2.959 10.764 0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.221 11.549 2.392 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.307 10.505 1.497 1.00 0.00 H new ATOM 1099 N ARG A 75 3.499 13.533 -1.010 1.00 0.00 N ATOM 1100 CA ARG A 75 3.067 14.913 -1.304 1.00 0.00 C ATOM 1101 C ARG A 75 2.160 14.957 -2.546 1.00 0.00 C ATOM 1102 O ARG A 75 1.171 15.692 -2.558 1.00 0.00 O ATOM 1103 CB ARG A 75 4.333 15.792 -1.485 1.00 0.00 C ATOM 1104 CG ARG A 75 5.214 15.812 -0.217 1.00 0.00 C ATOM 1105 CD ARG A 75 6.656 16.279 -0.432 1.00 0.00 C ATOM 1106 NE ARG A 75 7.486 15.959 0.749 1.00 0.00 N ATOM 1107 CZ ARG A 75 8.153 16.843 1.511 1.00 0.00 C ATOM 1108 NH1 ARG A 75 8.148 18.142 1.214 1.00 0.00 N ATOM 1109 NH2 ARG A 75 8.830 16.415 2.565 1.00 0.00 N ATOM 0 H ARG A 75 4.071 13.127 -1.750 1.00 0.00 H new ATOM 0 HA ARG A 75 2.474 15.302 -0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.917 15.417 -2.325 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.034 16.810 -1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.745 16.462 0.522 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.234 14.809 0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.072 15.798 -1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.673 17.353 -0.615 1.00 0.00 H new ATOM 0 HE ARG A 75 7.559 14.976 1.010 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.634 18.477 0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.659 18.801 1.801 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.843 15.421 2.794 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.339 17.079 3.148 1.00 0.00 H new ATOM 1123 N GLU A 76 2.505 14.162 -3.576 1.00 0.00 N ATOM 1124 CA GLU A 76 1.786 14.139 -4.869 1.00 0.00 C ATOM 1125 C GLU A 76 0.330 13.618 -4.757 1.00 0.00 C ATOM 1126 O GLU A 76 -0.055 12.983 -3.769 1.00 0.00 O ATOM 1127 CB GLU A 76 2.577 13.282 -5.883 1.00 0.00 C ATOM 1128 CG GLU A 76 4.016 13.778 -6.151 1.00 0.00 C ATOM 1129 CD GLU A 76 4.750 12.943 -7.209 1.00 0.00 C ATOM 1130 OE1 GLU A 76 4.495 13.153 -8.412 1.00 0.00 O ATOM 1131 OE2 GLU A 76 5.579 12.077 -6.851 1.00 0.00 O ATOM 0 H GLU A 76 3.292 13.515 -3.537 1.00 0.00 H new ATOM 0 HA GLU A 76 1.717 15.172 -5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.621 12.256 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.031 13.261 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.981 14.818 -6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.582 13.754 -5.220 1.00 0.00 H new ATOM 1138 N THR A 77 -0.458 13.897 -5.811 1.00 0.00 N ATOM 1139 CA THR A 77 -1.882 13.541 -5.888 1.00 0.00 C ATOM 1140 C THR A 77 -2.104 12.348 -6.837 1.00 0.00 C ATOM 1141 O THR A 77 -1.570 12.332 -7.951 1.00 0.00 O ATOM 1142 CB THR A 77 -2.743 14.750 -6.396 1.00 0.00 C ATOM 1143 OG1 THR A 77 -2.214 15.243 -7.634 1.00 0.00 O ATOM 1144 CG2 THR A 77 -2.813 15.898 -5.380 1.00 0.00 C ATOM 0 H THR A 77 -0.118 14.382 -6.642 1.00 0.00 H new ATOM 0 HA THR A 77 -2.195 13.270 -4.880 1.00 0.00 H new ATOM 0 HB THR A 77 -3.757 14.376 -6.538 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.764 14.515 -8.111 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.422 16.706 -5.786 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.260 15.537 -4.454 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.807 16.267 -5.178 1.00 0.00 H new ATOM 1152 N MET A 78 -2.857 11.338 -6.368 1.00 0.00 N ATOM 1153 CA MET A 78 -3.443 10.318 -7.264 1.00 0.00 C ATOM 1154 C MET A 78 -4.469 10.990 -8.198 1.00 0.00 C ATOM 1155 O MET A 78 -4.133 11.308 -9.345 1.00 0.00 O ATOM 1156 CB MET A 78 -4.044 9.118 -6.469 1.00 0.00 C ATOM 1157 CG MET A 78 -3.037 7.995 -6.183 1.00 0.00 C ATOM 1158 SD MET A 78 -3.700 6.679 -5.152 1.00 0.00 S ATOM 1159 CE MET A 78 -4.930 5.964 -6.232 1.00 0.00 C ATOM 0 H MET A 78 -3.075 11.204 -5.381 1.00 0.00 H new ATOM 0 HA MET A 78 -2.653 9.888 -7.879 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.443 9.485 -5.523 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.883 8.706 -7.030 1.00 0.00 H new ATOM 0 HG2 MET A 78 -2.701 7.570 -7.129 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.160 8.420 -5.695 1.00 0.00 H new ATOM 0 HE1 MET A 78 -5.297 5.033 -5.800 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.760 6.661 -6.350 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.485 5.761 -7.206 1.00 0.00 H new ATOM 1169 N GLY A 79 -5.695 11.235 -7.722 1.00 0.00 N ATOM 1170 CA GLY A 79 -6.655 12.047 -8.479 1.00 0.00 C ATOM 1171 C GLY A 79 -6.632 13.495 -8.013 1.00 0.00 C ATOM 1172 O GLY A 79 -5.702 14.245 -8.333 1.00 0.00 O ATOM 0 H GLY A 79 -6.043 10.888 -6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.418 12.000 -9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.658 11.638 -8.357 1.00 0.00 H new ATOM 1176 N HIS A 80 -7.649 13.866 -7.230 1.00 0.00 N ATOM 1177 CA HIS A 80 -7.744 15.178 -6.556 1.00 0.00 C ATOM 1178 C HIS A 80 -7.218 15.048 -5.101 1.00 0.00 C ATOM 1179 O HIS A 80 -7.121 16.034 -4.365 1.00 0.00 O ATOM 1180 CB HIS A 80 -9.233 15.648 -6.590 1.00 0.00 C ATOM 1181 CG HIS A 80 -9.462 17.099 -6.242 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -9.565 18.087 -7.199 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -9.622 17.725 -5.054 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -9.764 19.249 -6.610 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -9.802 19.056 -5.309 1.00 0.00 N ATOM 0 H HIS A 80 -8.446 13.258 -7.039 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.133 15.923 -7.066 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.632 15.464 -7.588 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.807 15.031 -5.899 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.610 17.258 -4.080 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.877 20.199 -7.111 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.943 19.781 -4.606 1.00 0.00 H new ATOM 1194 N ARG A 81 -6.824 13.815 -4.728 1.00 0.00 N ATOM 1195 CA ARG A 81 -6.466 13.451 -3.353 1.00 0.00 C ATOM 1196 C ARG A 81 -4.949 13.292 -3.242 1.00 0.00 C ATOM 1197 O ARG A 81 -4.324 12.623 -4.079 1.00 0.00 O ATOM 1198 CB ARG A 81 -7.167 12.132 -2.938 1.00 0.00 C ATOM 1199 CG ARG A 81 -8.706 12.164 -3.060 1.00 0.00 C ATOM 1200 CD ARG A 81 -9.365 10.862 -2.582 1.00 0.00 C ATOM 1201 NE ARG A 81 -10.836 10.897 -2.766 1.00 0.00 N ATOM 1202 CZ ARG A 81 -11.717 10.099 -2.150 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -11.322 9.200 -1.264 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -13.015 10.230 -2.407 1.00 0.00 N ATOM 0 H ARG A 81 -6.746 13.038 -5.385 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.798 14.244 -2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.782 11.320 -3.555 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.901 11.902 -1.906 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.095 12.999 -2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.980 12.345 -4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.948 10.019 -3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.133 10.701 -1.529 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.208 11.588 -3.417 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.331 9.106 -1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.008 8.601 -0.805 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.335 10.936 -3.070 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.691 9.625 -1.941 1.00 0.00 H new ATOM 1218 N TYR A 82 -4.386 13.893 -2.187 1.00 0.00 N ATOM 1219 CA TYR A 82 -2.956 13.805 -1.859 1.00 0.00 C ATOM 1220 C TYR A 82 -2.728 12.467 -1.150 1.00 0.00 C ATOM 1221 O TYR A 82 -3.534 12.079 -0.297 1.00 0.00 O ATOM 1222 CB TYR A 82 -2.520 14.988 -0.944 1.00 0.00 C ATOM 1223 CG TYR A 82 -2.764 16.382 -1.550 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -4.013 17.004 -1.457 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -1.748 17.076 -2.212 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -4.238 18.256 -2.003 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -1.968 18.327 -2.760 1.00 0.00 C ATOM 1228 CZ TYR A 82 -3.212 18.914 -2.654 1.00 0.00 C ATOM 1229 OH TYR A 82 -3.430 20.163 -3.200 1.00 0.00 O ATOM 0 H TYR A 82 -4.917 14.462 -1.528 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.358 13.865 -2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.057 14.917 0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.459 14.884 -0.717 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.819 16.497 -0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -0.770 16.626 -2.298 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.211 18.717 -1.921 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.168 18.843 -3.270 1.00 0.00 H new ATOM 0 HH TYR A 82 -2.605 20.485 -3.620 1.00 0.00 H new ATOM 1239 N VAL A 83 -1.673 11.752 -1.521 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.371 10.432 -0.953 1.00 0.00 C ATOM 1241 C VAL A 83 -0.327 10.579 0.156 1.00 0.00 C ATOM 1242 O VAL A 83 0.671 11.256 -0.030 1.00 0.00 O ATOM 1243 CB VAL A 83 -0.874 9.441 -2.065 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -0.464 8.060 -1.486 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -1.958 9.280 -3.146 1.00 0.00 C ATOM 0 H VAL A 83 -1.001 12.064 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.283 10.014 -0.527 1.00 0.00 H new ATOM 0 HB VAL A 83 0.022 9.871 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.128 7.411 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.345 8.192 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.321 7.605 -0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.606 8.591 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.867 8.885 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.169 10.250 -3.597 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.599 9.971 1.318 1.00 0.00 N ATOM 1256 CA GLU A 84 0.337 9.904 2.441 1.00 0.00 C ATOM 1257 C GLU A 84 1.045 8.549 2.378 1.00 0.00 C ATOM 1258 O GLU A 84 0.391 7.502 2.466 1.00 0.00 O ATOM 1259 CB GLU A 84 -0.445 10.050 3.772 1.00 0.00 C ATOM 1260 CG GLU A 84 -1.319 11.315 3.858 1.00 0.00 C ATOM 1261 CD GLU A 84 -2.178 11.359 5.129 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -1.676 11.804 6.183 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -3.347 10.913 5.094 1.00 0.00 O ATOM 0 H GLU A 84 -1.488 9.507 1.504 1.00 0.00 H new ATOM 0 HA GLU A 84 1.071 10.708 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.080 9.174 3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.266 10.057 4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.678 12.196 3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.969 11.362 2.984 1.00 0.00 H new ATOM 1270 N VAL A 85 2.373 8.566 2.195 1.00 0.00 N ATOM 1271 CA VAL A 85 3.171 7.339 2.056 1.00 0.00 C ATOM 1272 C VAL A 85 4.124 7.210 3.238 1.00 0.00 C ATOM 1273 O VAL A 85 4.937 8.105 3.478 1.00 0.00 O ATOM 1274 CB VAL A 85 3.981 7.284 0.708 1.00 0.00 C ATOM 1275 CG1 VAL A 85 4.653 5.896 0.516 1.00 0.00 C ATOM 1276 CG2 VAL A 85 3.083 7.632 -0.502 1.00 0.00 C ATOM 0 H VAL A 85 2.921 9.424 2.139 1.00 0.00 H new ATOM 0 HA VAL A 85 2.472 6.503 2.040 1.00 0.00 H new ATOM 0 HB VAL A 85 4.768 8.036 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.206 5.886 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.338 5.706 1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.887 5.121 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.672 7.585 -1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.261 6.918 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.682 8.638 -0.380 1.00 0.00 H new ATOM 1286 N PHE A 86 3.989 6.117 4.001 1.00 0.00 N ATOM 1287 CA PHE A 86 4.897 5.784 5.117 1.00 0.00 C ATOM 1288 C PHE A 86 5.665 4.510 4.760 1.00 0.00 C ATOM 1289 O PHE A 86 5.437 3.935 3.696 1.00 0.00 O ATOM 1290 CB PHE A 86 4.079 5.603 6.427 1.00 0.00 C ATOM 1291 CG PHE A 86 3.276 6.844 6.803 1.00 0.00 C ATOM 1292 CD1 PHE A 86 1.986 7.032 6.317 1.00 0.00 C ATOM 1293 CD2 PHE A 86 3.831 7.839 7.608 1.00 0.00 C ATOM 1294 CE1 PHE A 86 1.279 8.173 6.621 1.00 0.00 C ATOM 1295 CE2 PHE A 86 3.115 8.978 7.916 1.00 0.00 C ATOM 1296 CZ PHE A 86 1.841 9.148 7.423 1.00 0.00 C ATOM 0 H PHE A 86 3.245 5.433 3.864 1.00 0.00 H new ATOM 0 HA PHE A 86 5.610 6.592 5.281 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.400 4.758 6.311 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.759 5.356 7.242 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.534 6.274 5.694 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.832 7.717 7.994 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.281 8.307 6.231 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.555 9.738 8.545 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.282 10.041 7.662 1.00 0.00 H new ATOM 1306 N LYS A 87 6.580 4.067 5.626 1.00 0.00 N ATOM 1307 CA LYS A 87 7.340 2.831 5.397 1.00 0.00 C ATOM 1308 C LYS A 87 6.719 1.739 6.265 1.00 0.00 C ATOM 1309 O LYS A 87 6.737 1.831 7.497 1.00 0.00 O ATOM 1310 CB LYS A 87 8.845 2.976 5.748 1.00 0.00 C ATOM 1311 CG LYS A 87 9.642 1.658 5.548 1.00 0.00 C ATOM 1312 CD LYS A 87 11.088 1.703 6.087 1.00 0.00 C ATOM 1313 CE LYS A 87 11.997 2.677 5.329 1.00 0.00 C ATOM 1314 NZ LYS A 87 13.389 2.634 5.853 1.00 0.00 N ATOM 0 H LYS A 87 6.814 4.546 6.495 1.00 0.00 H new ATOM 0 HA LYS A 87 7.289 2.586 4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.284 3.758 5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.942 3.299 6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.108 0.846 6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.670 1.422 4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.066 1.985 7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.518 0.703 6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.997 2.427 4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.603 3.690 5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.042 3.005 5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.454 3.215 6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.645 1.652 6.079 1.00 0.00 H new ATOM 1328 N SER A 88 6.173 0.720 5.609 1.00 0.00 N ATOM 1329 CA SER A 88 5.550 -0.416 6.275 1.00 0.00 C ATOM 1330 C SER A 88 6.599 -1.491 6.600 1.00 0.00 C ATOM 1331 O SER A 88 7.699 -1.534 6.028 1.00 0.00 O ATOM 1332 CB SER A 88 4.432 -0.995 5.391 1.00 0.00 C ATOM 1333 OG SER A 88 3.804 -2.125 5.986 1.00 0.00 O ATOM 0 H SER A 88 6.151 0.660 4.591 1.00 0.00 H new ATOM 0 HA SER A 88 5.111 -0.077 7.214 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.685 -0.224 5.203 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.847 -1.280 4.424 1.00 0.00 H new ATOM 0 HG SER A 88 2.832 -2.000 5.980 1.00 0.00 H new ATOM 1339 N ASN A 89 6.204 -2.355 7.525 1.00 0.00 N ATOM 1340 CA ASN A 89 6.999 -3.488 8.004 1.00 0.00 C ATOM 1341 C ASN A 89 6.157 -4.763 7.910 1.00 0.00 C ATOM 1342 O ASN A 89 4.926 -4.693 7.887 1.00 0.00 O ATOM 1343 CB ASN A 89 7.462 -3.231 9.466 1.00 0.00 C ATOM 1344 CG ASN A 89 8.369 -2.006 9.642 1.00 0.00 C ATOM 1345 OD1 ASN A 89 8.246 -1.269 10.618 1.00 0.00 O ATOM 1346 ND2 ASN A 89 9.310 -1.798 8.725 1.00 0.00 N ATOM 0 H ASN A 89 5.293 -2.289 7.980 1.00 0.00 H new ATOM 0 HA ASN A 89 7.889 -3.607 7.386 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.581 -3.108 10.096 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.991 -4.113 9.826 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.952 -1.011 8.822 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.390 -2.425 7.925 1.00 0.00 H new ATOM 1353 N ASN A 90 6.822 -5.934 7.868 1.00 0.00 N ATOM 1354 CA ASN A 90 6.138 -7.248 7.837 1.00 0.00 C ATOM 1355 C ASN A 90 5.361 -7.487 9.137 1.00 0.00 C ATOM 1356 O ASN A 90 4.294 -8.101 9.119 1.00 0.00 O ATOM 1357 CB ASN A 90 7.152 -8.402 7.619 1.00 0.00 C ATOM 1358 CG ASN A 90 6.472 -9.757 7.362 1.00 0.00 C ATOM 1359 OD1 ASN A 90 6.244 -10.540 8.284 1.00 0.00 O ATOM 1360 ND2 ASN A 90 6.140 -10.039 6.104 1.00 0.00 N ATOM 0 H ASN A 90 7.840 -5.999 7.855 1.00 0.00 H new ATOM 0 HA ASN A 90 5.439 -7.233 7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.796 -8.158 6.774 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.795 -8.484 8.496 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.684 -10.924 5.883 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.342 -9.370 5.361 1.00 0.00 H new ATOM 1367 N VAL A 91 5.915 -6.983 10.260 1.00 0.00 N ATOM 1368 CA VAL A 91 5.298 -7.089 11.585 1.00 0.00 C ATOM 1369 C VAL A 91 3.924 -6.395 11.604 1.00 0.00 C ATOM 1370 O VAL A 91 2.945 -6.935 12.125 1.00 0.00 O ATOM 1371 CB VAL A 91 6.258 -6.497 12.694 1.00 0.00 C ATOM 1372 CG1 VAL A 91 6.478 -4.960 12.578 1.00 0.00 C ATOM 1373 CG2 VAL A 91 5.790 -6.887 14.107 1.00 0.00 C ATOM 0 H VAL A 91 6.808 -6.490 10.265 1.00 0.00 H new ATOM 0 HA VAL A 91 5.139 -8.144 11.809 1.00 0.00 H new ATOM 0 HB VAL A 91 7.232 -6.952 12.513 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.147 -4.627 13.372 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.921 -4.728 11.609 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.521 -4.447 12.672 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.471 -6.464 14.846 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.785 -6.500 14.277 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.782 -7.973 14.201 1.00 0.00 H new ATOM 1383 N GLU A 92 3.878 -5.223 10.961 1.00 0.00 N ATOM 1384 CA GLU A 92 2.656 -4.426 10.805 1.00 0.00 C ATOM 1385 C GLU A 92 1.668 -5.116 9.854 1.00 0.00 C ATOM 1386 O GLU A 92 0.530 -5.366 10.236 1.00 0.00 O ATOM 1387 CB GLU A 92 2.992 -3.006 10.279 1.00 0.00 C ATOM 1388 CG GLU A 92 1.744 -2.157 9.919 1.00 0.00 C ATOM 1389 CD GLU A 92 2.063 -0.744 9.423 1.00 0.00 C ATOM 1390 OE1 GLU A 92 2.902 -0.619 8.508 1.00 0.00 O ATOM 1391 OE2 GLU A 92 1.459 0.238 9.923 1.00 0.00 O ATOM 0 H GLU A 92 4.698 -4.796 10.529 1.00 0.00 H new ATOM 0 HA GLU A 92 2.189 -4.337 11.786 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.573 -2.477 11.035 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.625 -3.097 9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.174 -2.679 9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.103 -2.085 10.798 1.00 0.00 H new ATOM 1398 N MET A 93 2.133 -5.410 8.614 1.00 0.00 N ATOM 1399 CA MET A 93 1.302 -6.014 7.553 1.00 0.00 C ATOM 1400 C MET A 93 0.589 -7.285 8.043 1.00 0.00 C ATOM 1401 O MET A 93 -0.630 -7.380 7.957 1.00 0.00 O ATOM 1402 CB MET A 93 2.157 -6.355 6.306 1.00 0.00 C ATOM 1403 CG MET A 93 1.347 -6.934 5.127 1.00 0.00 C ATOM 1404 SD MET A 93 2.372 -7.496 3.758 1.00 0.00 S ATOM 1405 CE MET A 93 3.251 -6.000 3.329 1.00 0.00 C ATOM 0 H MET A 93 3.095 -5.233 8.326 1.00 0.00 H new ATOM 0 HA MET A 93 0.548 -5.275 7.283 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.670 -5.453 5.972 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.927 -7.072 6.591 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.745 -7.769 5.486 1.00 0.00 H new ATOM 0 HG3 MET A 93 0.655 -6.174 4.764 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.266 -5.885 2.245 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.750 -5.142 3.778 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.273 -6.059 3.702 1.00 0.00 H new ATOM 1415 N ASP A 94 1.370 -8.205 8.630 1.00 0.00 N ATOM 1416 CA ASP A 94 0.869 -9.496 9.146 1.00 0.00 C ATOM 1417 C ASP A 94 -0.153 -9.266 10.279 1.00 0.00 C ATOM 1418 O ASP A 94 -1.214 -9.894 10.304 1.00 0.00 O ATOM 1419 CB ASP A 94 2.059 -10.359 9.645 1.00 0.00 C ATOM 1420 CG ASP A 94 1.646 -11.754 10.163 1.00 0.00 C ATOM 1421 OD1 ASP A 94 1.421 -12.664 9.338 1.00 0.00 O ATOM 1422 OD2 ASP A 94 1.542 -11.946 11.392 1.00 0.00 O ATOM 0 H ASP A 94 2.373 -8.077 8.763 1.00 0.00 H new ATOM 0 HA ASP A 94 0.363 -10.028 8.340 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.773 -10.481 8.831 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.574 -9.824 10.443 1.00 0.00 H new ATOM 1427 N TRP A 95 0.168 -8.319 11.180 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.709 -7.950 12.313 1.00 0.00 C ATOM 1429 C TRP A 95 -2.071 -7.422 11.814 1.00 0.00 C ATOM 1430 O TRP A 95 -3.117 -7.737 12.385 1.00 0.00 O ATOM 1431 CB TRP A 95 -0.006 -6.890 13.202 1.00 0.00 C ATOM 1432 CG TRP A 95 -0.797 -6.454 14.419 1.00 0.00 C ATOM 1433 CD1 TRP A 95 -1.214 -7.247 15.453 1.00 0.00 C ATOM 1434 CD2 TRP A 95 -1.250 -5.130 14.728 1.00 0.00 C ATOM 1435 NE1 TRP A 95 -1.896 -6.501 16.376 1.00 0.00 N ATOM 1436 CE2 TRP A 95 -1.927 -5.198 15.960 1.00 0.00 C ATOM 1437 CE3 TRP A 95 -1.140 -3.891 14.087 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 -2.505 -4.082 16.558 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 -1.712 -2.783 14.683 1.00 0.00 C ATOM 1440 CH2 TRP A 95 -2.379 -2.882 15.912 1.00 0.00 C ATOM 0 H TRP A 95 1.038 -7.788 11.146 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.897 -8.844 12.908 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.951 -7.292 13.534 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.210 -6.012 12.593 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.031 -8.309 15.530 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.314 -6.859 17.235 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.619 -3.802 13.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -3.033 -4.160 17.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.644 -1.823 14.193 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.802 -1.994 16.358 1.00 0.00 H new ATOM 1451 N VAL A 96 -2.027 -6.652 10.721 1.00 0.00 N ATOM 1452 CA VAL A 96 -3.202 -5.986 10.146 1.00 0.00 C ATOM 1453 C VAL A 96 -4.022 -6.941 9.243 1.00 0.00 C ATOM 1454 O VAL A 96 -5.234 -6.806 9.148 1.00 0.00 O ATOM 1455 CB VAL A 96 -2.775 -4.694 9.361 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.966 -4.072 8.597 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -2.140 -3.641 10.315 1.00 0.00 C ATOM 0 H VAL A 96 -1.166 -6.472 10.205 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.850 -5.690 10.971 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.025 -4.997 8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.632 -3.180 8.066 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.357 -4.795 7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.750 -3.801 9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.854 -2.758 9.744 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.864 -3.360 11.080 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.256 -4.067 10.791 1.00 0.00 H new ATOM 1467 N LEU A 97 -3.376 -7.914 8.590 1.00 0.00 N ATOM 1468 CA LEU A 97 -4.099 -8.881 7.729 1.00 0.00 C ATOM 1469 C LEU A 97 -4.844 -9.925 8.589 1.00 0.00 C ATOM 1470 O LEU A 97 -5.860 -10.489 8.165 1.00 0.00 O ATOM 1471 CB LEU A 97 -3.132 -9.546 6.711 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.460 -8.567 5.689 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.566 -9.322 4.694 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -3.504 -7.681 4.963 1.00 0.00 C ATOM 0 H LEU A 97 -2.367 -8.059 8.634 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.849 -8.340 7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.347 -10.063 7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.682 -10.305 6.154 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.819 -7.896 6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.115 -8.613 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.780 -9.847 5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.167 -10.042 4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.995 -7.017 4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.203 -8.315 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.049 -7.086 5.696 1.00 0.00 H new ATOM 1486 N LYS A 98 -4.324 -10.160 9.807 1.00 0.00 N ATOM 1487 CA LYS A 98 -4.963 -11.035 10.822 1.00 0.00 C ATOM 1488 C LYS A 98 -5.920 -10.227 11.730 1.00 0.00 C ATOM 1489 O LYS A 98 -6.866 -10.789 12.298 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.880 -11.793 11.658 1.00 0.00 C ATOM 1491 CG LYS A 98 -3.235 -13.029 10.964 1.00 0.00 C ATOM 1492 CD LYS A 98 -2.458 -12.692 9.671 1.00 0.00 C ATOM 1493 CE LYS A 98 -1.783 -13.916 9.035 1.00 0.00 C ATOM 1494 NZ LYS A 98 -0.724 -14.483 9.905 1.00 0.00 N ATOM 0 H LYS A 98 -3.445 -9.749 10.122 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.563 -11.781 10.301 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.088 -11.090 11.916 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.333 -12.120 12.594 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.557 -13.514 11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.018 -13.749 10.727 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.142 -12.246 8.949 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.699 -11.942 9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.534 -14.680 8.834 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.351 -13.633 8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.389 -15.382 9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.070 -13.814 9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.109 -14.652 10.856 1.00 0.00 H new ATOM 1508 N HIS A 99 -5.671 -8.909 11.861 1.00 0.00 N ATOM 1509 CA HIS A 99 -6.523 -7.974 12.640 1.00 0.00 C ATOM 1510 C HIS A 99 -6.719 -6.703 11.806 1.00 0.00 C ATOM 1511 O HIS A 99 -5.942 -5.752 11.913 1.00 0.00 O ATOM 1512 CB HIS A 99 -5.897 -7.623 14.022 1.00 0.00 C ATOM 1513 CG HIS A 99 -5.778 -8.791 14.951 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -4.572 -9.312 15.350 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -6.726 -9.526 15.575 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -4.778 -10.318 16.168 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -6.076 -10.468 16.327 1.00 0.00 N ATOM 0 H HIS A 99 -4.867 -8.455 11.427 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.480 -8.454 12.844 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.907 -7.196 13.863 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.503 -6.853 14.499 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -7.795 -9.395 15.495 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -4.012 -10.921 16.632 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.524 -11.171 16.914 1.00 0.00 H new