USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 694 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 CYS SG : rot 74:sc= 0.0243 USER MOD Set 1.2: A 96 GLN : amide:sc= -0.0145 X(o=0.0098,f=0.024) USER MOD Set 2.1: A 14 SER OG : rot -63:sc= 1.18 USER MOD Set 2.2: A 35 TYR OH : rot 30:sc= 1.05 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= -1.78! (180deg=-1.99) USER MOD Single : A 19 ASN : amide:sc= -0.0554 K(o=-0.055,f=-2.9!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00516 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 38 MET CE :methyl -175:sc= -1.38 (180deg=-1.49) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0451 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 160:sc= -0.27 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -19:sc= 1.27 USER MOD Single : A 59 SER OG : rot -1:sc= 0.16 USER MOD Single : A 82 TYR OH : rot 60:sc= 0.804 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.00645 X(o=0.0064,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 178:sc= 1.28 USER MOD Single : A 98 MET CE :methyl -163:sc= 0 (180deg=-0.169) USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 7 -10.052 5.004 -0.276 1.00 0.00 N ATOM 74 CA PRO A 7 -8.618 4.719 -0.320 1.00 0.00 C ATOM 75 C PRO A 7 -8.339 3.352 0.338 1.00 0.00 C ATOM 76 O PRO A 7 -7.688 3.254 1.378 1.00 0.00 O ATOM 77 CB PRO A 7 -7.935 5.910 0.393 1.00 0.00 C ATOM 78 CG PRO A 7 -8.983 6.230 1.463 1.00 0.00 C ATOM 79 CD PRO A 7 -10.322 5.967 0.779 1.00 0.00 C ATOM 0 HA PRO A 7 -8.223 4.632 -1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.971 5.638 0.824 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.758 6.750 -0.279 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.857 5.600 2.343 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.905 7.264 1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.051 5.575 1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.738 6.887 0.370 1.00 0.00 H new ATOM 87 N VAL A 8 -8.795 2.274 -0.287 1.00 0.00 N ATOM 88 CA VAL A 8 -8.511 0.882 0.064 1.00 0.00 C ATOM 89 C VAL A 8 -8.198 0.125 -1.227 1.00 0.00 C ATOM 90 O VAL A 8 -8.448 0.638 -2.318 1.00 0.00 O ATOM 91 CB VAL A 8 -9.663 0.280 0.900 1.00 0.00 C ATOM 92 CG1 VAL A 8 -10.860 -0.181 0.056 1.00 0.00 C ATOM 93 CG2 VAL A 8 -9.167 -0.887 1.768 1.00 0.00 C ATOM 0 H VAL A 8 -9.408 2.348 -1.099 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.637 0.803 0.710 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.013 1.092 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.629 -0.592 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.266 0.668 -0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.535 -0.947 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.999 -1.291 2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.757 -1.668 1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.393 -0.531 2.448 1.00 0.00 H new ATOM 103 N VAL A 9 -7.630 -1.073 -1.120 1.00 0.00 N ATOM 104 CA VAL A 9 -7.362 -1.947 -2.250 1.00 0.00 C ATOM 105 C VAL A 9 -8.548 -2.905 -2.413 1.00 0.00 C ATOM 106 O VAL A 9 -8.616 -3.933 -1.746 1.00 0.00 O ATOM 107 CB VAL A 9 -5.953 -2.584 -2.113 1.00 0.00 C ATOM 108 CG1 VAL A 9 -5.631 -3.141 -0.727 1.00 0.00 C ATOM 109 CG2 VAL A 9 -5.670 -3.603 -3.225 1.00 0.00 C ATOM 0 H VAL A 9 -7.339 -1.468 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.299 -1.407 -3.195 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.262 -1.751 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.627 -3.565 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.685 -2.339 0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.352 -3.917 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.673 -4.023 -3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.409 -4.403 -3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.726 -3.108 -4.195 1.00 0.00 H new ATOM 119 N GLY A 10 -9.493 -2.568 -3.293 1.00 0.00 N ATOM 120 CA GLY A 10 -10.563 -3.455 -3.737 1.00 0.00 C ATOM 121 C GLY A 10 -10.107 -4.181 -4.991 1.00 0.00 C ATOM 122 O GLY A 10 -9.534 -5.273 -4.894 1.00 0.00 O ATOM 0 H GLY A 10 -9.534 -1.645 -3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.808 -4.172 -2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.468 -2.883 -3.940 1.00 0.00 H new ATOM 126 N MET A 11 -10.284 -3.541 -6.151 1.00 0.00 N ATOM 127 CA MET A 11 -9.815 -3.985 -7.462 1.00 0.00 C ATOM 128 C MET A 11 -9.033 -2.857 -8.148 1.00 0.00 C ATOM 129 O MET A 11 -7.862 -3.037 -8.501 1.00 0.00 O ATOM 130 CB MET A 11 -10.977 -4.492 -8.334 1.00 0.00 C ATOM 131 CG MET A 11 -11.790 -5.600 -7.647 1.00 0.00 C ATOM 132 SD MET A 11 -12.321 -6.965 -8.721 1.00 0.00 S ATOM 133 CE MET A 11 -10.804 -7.963 -8.726 1.00 0.00 C ATOM 0 H MET A 11 -10.784 -2.654 -6.201 1.00 0.00 H new ATOM 0 HA MET A 11 -9.140 -4.830 -7.323 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.637 -3.658 -8.575 1.00 0.00 H new ATOM 0 HB3 MET A 11 -10.581 -4.868 -9.277 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.193 -6.013 -6.834 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.675 -5.150 -7.197 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.953 -8.849 -9.343 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.982 -7.373 -9.131 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.565 -8.267 -7.707 1.00 0.00 H new ATOM 143 N ASP A 12 -9.640 -1.684 -8.331 1.00 0.00 N ATOM 144 CA ASP A 12 -9.131 -0.676 -9.267 1.00 0.00 C ATOM 145 C ASP A 12 -8.072 0.191 -8.594 1.00 0.00 C ATOM 146 O ASP A 12 -8.344 0.843 -7.587 1.00 0.00 O ATOM 147 CB ASP A 12 -10.249 0.192 -9.864 1.00 0.00 C ATOM 148 CG ASP A 12 -10.130 0.155 -11.387 1.00 0.00 C ATOM 149 OD1 ASP A 12 -9.166 0.738 -11.924 1.00 0.00 O ATOM 150 OD2 ASP A 12 -10.948 -0.537 -12.041 1.00 0.00 O ATOM 0 H ASP A 12 -10.490 -1.406 -7.841 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.673 -1.213 -10.098 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.225 -0.179 -9.551 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.167 1.217 -9.502 1.00 0.00 H new ATOM 155 N LYS A 13 -6.826 0.144 -9.067 1.00 0.00 N ATOM 156 CA LYS A 13 -5.668 0.652 -8.342 1.00 0.00 C ATOM 157 C LYS A 13 -5.525 2.179 -8.241 1.00 0.00 C ATOM 158 O LYS A 13 -4.566 2.609 -7.608 1.00 0.00 O ATOM 159 CB LYS A 13 -4.387 -0.040 -8.863 1.00 0.00 C ATOM 160 CG LYS A 13 -4.013 -1.344 -8.125 1.00 0.00 C ATOM 161 CD LYS A 13 -3.820 -1.152 -6.625 1.00 0.00 C ATOM 162 CE LYS A 13 -4.768 -2.076 -5.873 1.00 0.00 C ATOM 163 NZ LYS A 13 -6.185 -1.945 -6.301 1.00 0.00 N ATOM 0 H LYS A 13 -6.593 -0.254 -9.977 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.840 0.384 -7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.515 -0.262 -9.922 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.554 0.659 -8.782 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.795 -2.085 -8.292 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.095 -1.746 -8.554 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.788 -1.368 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.012 -0.114 -6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.447 -3.108 -6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.698 -1.866 -4.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.763 -2.658 -5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.533 -0.995 -6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.252 -2.090 -7.329 1.00 0.00 H new ATOM 177 N SER A 14 -6.455 3.006 -8.720 1.00 0.00 N ATOM 178 CA SER A 14 -6.311 4.466 -8.673 1.00 0.00 C ATOM 179 C SER A 14 -7.349 5.124 -7.759 1.00 0.00 C ATOM 180 O SER A 14 -8.172 5.924 -8.206 1.00 0.00 O ATOM 181 CB SER A 14 -6.325 5.008 -10.099 1.00 0.00 C ATOM 182 OG SER A 14 -5.265 4.434 -10.842 1.00 0.00 O ATOM 0 H SER A 14 -7.324 2.688 -9.149 1.00 0.00 H new ATOM 0 HA SER A 14 -5.353 4.722 -8.221 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.279 4.781 -10.575 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.226 6.093 -10.086 1.00 0.00 H new ATOM 0 HG SER A 14 -4.408 4.703 -10.450 1.00 0.00 H new ATOM 188 N LEU A 15 -7.303 4.796 -6.461 1.00 0.00 N ATOM 189 CA LEU A 15 -8.171 5.377 -5.426 1.00 0.00 C ATOM 190 C LEU A 15 -7.388 5.792 -4.162 1.00 0.00 C ATOM 191 O LEU A 15 -7.994 6.208 -3.174 1.00 0.00 O ATOM 192 CB LEU A 15 -9.305 4.385 -5.081 1.00 0.00 C ATOM 193 CG LEU A 15 -10.312 4.104 -6.219 1.00 0.00 C ATOM 194 CD1 LEU A 15 -11.233 2.943 -5.835 1.00 0.00 C ATOM 195 CD2 LEU A 15 -11.187 5.318 -6.545 1.00 0.00 C ATOM 0 H LEU A 15 -6.649 4.106 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.605 6.292 -5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.857 3.440 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.853 4.771 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.719 3.858 -7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.938 2.755 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.636 2.048 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.782 3.198 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.875 5.064 -7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.755 5.606 -5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.554 6.149 -6.856 1.00 0.00 H new ATOM 207 N PHE A 16 -6.056 5.682 -4.155 1.00 0.00 N ATOM 208 CA PHE A 16 -5.201 5.784 -2.969 1.00 0.00 C ATOM 209 C PHE A 16 -4.724 7.212 -2.758 1.00 0.00 C ATOM 210 O PHE A 16 -4.941 7.773 -1.679 1.00 0.00 O ATOM 211 CB PHE A 16 -3.990 4.846 -3.089 1.00 0.00 C ATOM 212 CG PHE A 16 -4.373 3.399 -3.242 1.00 0.00 C ATOM 213 CD1 PHE A 16 -4.887 2.941 -4.464 1.00 0.00 C ATOM 214 CD2 PHE A 16 -4.271 2.528 -2.148 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.372 1.635 -4.571 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.682 1.189 -2.279 1.00 0.00 C ATOM 217 CZ PHE A 16 -5.246 0.757 -3.490 1.00 0.00 C ATOM 0 H PHE A 16 -5.524 5.513 -5.008 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.798 5.486 -2.107 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.388 5.148 -3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.363 4.958 -2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.908 3.597 -5.322 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.878 2.884 -1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.843 1.305 -5.485 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.565 0.500 -1.456 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.586 -0.263 -3.588 1.00 0.00 H new ATOM 227 N ALA A 17 -4.076 7.782 -3.781 1.00 0.00 N ATOM 228 CA ALA A 17 -3.745 9.192 -3.859 1.00 0.00 C ATOM 229 C ALA A 17 -5.078 9.947 -3.863 1.00 0.00 C ATOM 230 O ALA A 17 -5.731 10.076 -4.906 1.00 0.00 O ATOM 231 CB ALA A 17 -2.915 9.502 -5.109 1.00 0.00 C ATOM 0 H ALA A 17 -3.763 7.252 -4.595 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.129 9.498 -3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.684 10.567 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.988 8.930 -5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.482 9.230 -5.999 1.00 0.00 H new ATOM 237 N GLY A 18 -5.546 10.348 -2.687 1.00 0.00 N ATOM 238 CA GLY A 18 -6.873 10.879 -2.460 1.00 0.00 C ATOM 239 C GLY A 18 -7.279 10.857 -0.994 1.00 0.00 C ATOM 240 O GLY A 18 -8.358 11.363 -0.681 1.00 0.00 O ATOM 0 H GLY A 18 -4.985 10.308 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.916 11.904 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.593 10.302 -3.040 1.00 0.00 H new ATOM 244 N ASN A 19 -6.487 10.269 -0.087 1.00 0.00 N ATOM 245 CA ASN A 19 -6.632 10.558 1.336 1.00 0.00 C ATOM 246 C ASN A 19 -5.276 10.690 2.052 1.00 0.00 C ATOM 247 O ASN A 19 -4.303 10.020 1.691 1.00 0.00 O ATOM 248 CB ASN A 19 -7.591 9.518 1.921 1.00 0.00 C ATOM 249 CG ASN A 19 -8.213 9.987 3.225 1.00 0.00 C ATOM 250 OD1 ASN A 19 -8.166 11.167 3.565 1.00 0.00 O ATOM 251 ND2 ASN A 19 -8.724 9.068 4.038 1.00 0.00 N ATOM 0 H ASN A 19 -5.751 9.600 -0.314 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.072 11.542 1.495 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.380 9.306 1.199 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.054 8.585 2.091 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.082 9.340 4.954 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.758 8.091 3.746 1.00 0.00 H new ATOM 258 N THR A 20 -5.199 11.587 3.036 1.00 0.00 N ATOM 259 CA THR A 20 -3.984 12.205 3.590 1.00 0.00 C ATOM 260 C THR A 20 -3.733 11.838 5.067 1.00 0.00 C ATOM 261 O THR A 20 -2.980 12.522 5.761 1.00 0.00 O ATOM 262 CB THR A 20 -4.112 13.734 3.404 1.00 0.00 C ATOM 263 OG1 THR A 20 -5.421 14.155 3.756 1.00 0.00 O ATOM 264 CG2 THR A 20 -3.824 14.172 1.968 1.00 0.00 C ATOM 0 H THR A 20 -6.040 11.927 3.502 1.00 0.00 H new ATOM 0 HA THR A 20 -3.117 11.820 3.054 1.00 0.00 H new ATOM 0 HB THR A 20 -3.370 14.197 4.055 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.496 15.125 3.638 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.927 15.254 1.890 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.808 13.884 1.696 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.531 13.691 1.292 1.00 0.00 H new ATOM 272 N VAL A 21 -4.393 10.793 5.568 1.00 0.00 N ATOM 273 CA VAL A 21 -4.503 10.387 6.979 1.00 0.00 C ATOM 274 C VAL A 21 -4.431 8.840 7.128 1.00 0.00 C ATOM 275 O VAL A 21 -4.804 8.278 8.158 1.00 0.00 O ATOM 276 CB VAL A 21 -5.770 11.066 7.559 1.00 0.00 C ATOM 277 CG1 VAL A 21 -7.080 10.586 6.914 1.00 0.00 C ATOM 278 CG2 VAL A 21 -5.872 10.989 9.089 1.00 0.00 C ATOM 0 H VAL A 21 -4.905 10.157 4.956 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.655 10.728 7.573 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.637 12.115 7.293 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.922 11.105 7.371 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.059 10.799 5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.189 9.512 7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.785 11.486 9.418 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.895 9.945 9.400 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.009 11.482 9.536 1.00 0.00 H new ATOM 288 N ILE A 22 -4.007 8.113 6.088 1.00 0.00 N ATOM 289 CA ILE A 22 -4.168 6.663 5.968 1.00 0.00 C ATOM 290 C ILE A 22 -2.896 5.996 6.458 1.00 0.00 C ATOM 291 O ILE A 22 -2.001 5.679 5.686 1.00 0.00 O ATOM 292 CB ILE A 22 -4.645 6.236 4.556 1.00 0.00 C ATOM 293 CG1 ILE A 22 -4.629 4.708 4.421 1.00 0.00 C ATOM 294 CG2 ILE A 22 -3.898 6.893 3.371 1.00 0.00 C ATOM 295 CD1 ILE A 22 -5.499 4.195 3.280 1.00 0.00 C ATOM 0 H ILE A 22 -3.531 8.529 5.288 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.978 6.314 6.608 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.665 6.613 4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.603 4.375 4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.969 4.264 5.356 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.310 6.525 2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.018 7.975 3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.839 6.643 3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.443 3.107 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.533 4.499 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.145 4.611 2.337 1.00 0.00 H new ATOM 307 N ARG A 23 -2.822 5.791 7.768 1.00 0.00 N ATOM 308 CA ARG A 23 -1.608 5.308 8.417 1.00 0.00 C ATOM 309 C ARG A 23 -1.535 3.783 8.433 1.00 0.00 C ATOM 310 O ARG A 23 -0.755 3.242 9.214 1.00 0.00 O ATOM 311 CB ARG A 23 -1.455 5.954 9.803 1.00 0.00 C ATOM 312 CG ARG A 23 -1.060 7.430 9.691 1.00 0.00 C ATOM 313 CD ARG A 23 -0.794 8.066 11.047 1.00 0.00 C ATOM 314 NE ARG A 23 -2.016 8.187 11.847 1.00 0.00 N ATOM 315 CZ ARG A 23 -2.051 8.554 13.128 1.00 0.00 C ATOM 316 NH1 ARG A 23 -0.929 8.859 13.773 1.00 0.00 N ATOM 317 NH2 ARG A 23 -3.219 8.616 13.748 1.00 0.00 N ATOM 0 H ARG A 23 -3.599 5.954 8.409 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.745 5.620 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.393 5.867 10.352 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.699 5.416 10.376 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.168 7.518 9.071 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.855 7.978 9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.063 7.468 11.591 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.355 9.053 10.904 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.903 7.975 11.391 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.033 8.813 13.288 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.964 9.139 14.753 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.076 8.385 13.246 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.262 8.895 14.728 1.00 0.00 H new ATOM 331 N GLU A 24 -2.304 3.084 7.594 1.00 0.00 N ATOM 332 CA GLU A 24 -2.059 1.684 7.268 1.00 0.00 C ATOM 333 C GLU A 24 -2.556 1.428 5.850 1.00 0.00 C ATOM 334 O GLU A 24 -3.612 1.944 5.483 1.00 0.00 O ATOM 335 CB GLU A 24 -2.867 0.725 8.159 1.00 0.00 C ATOM 336 CG GLU A 24 -2.700 0.827 9.676 1.00 0.00 C ATOM 337 CD GLU A 24 -3.689 -0.138 10.343 1.00 0.00 C ATOM 338 OE1 GLU A 24 -4.923 0.096 10.251 1.00 0.00 O ATOM 339 OE2 GLU A 24 -3.266 -1.178 10.891 1.00 0.00 O ATOM 0 H GLU A 24 -3.117 3.479 7.121 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.992 1.507 7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.923 0.870 7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.614 -0.294 7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.678 0.578 9.962 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.885 1.848 10.009 1.00 0.00 H new ATOM 346 N ILE A 25 -1.890 0.551 5.099 1.00 0.00 N ATOM 347 CA ILE A 25 -2.446 -0.074 3.903 1.00 0.00 C ATOM 348 C ILE A 25 -2.048 -1.547 3.966 1.00 0.00 C ATOM 349 O ILE A 25 -0.890 -1.904 3.729 1.00 0.00 O ATOM 350 CB ILE A 25 -1.992 0.636 2.601 1.00 0.00 C ATOM 351 CG1 ILE A 25 -2.494 2.095 2.571 1.00 0.00 C ATOM 352 CG2 ILE A 25 -2.515 -0.111 1.360 1.00 0.00 C ATOM 353 CD1 ILE A 25 -2.070 2.904 1.344 1.00 0.00 C ATOM 0 H ILE A 25 -0.937 0.252 5.308 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.532 0.017 3.878 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.902 0.633 2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.583 2.089 2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.134 2.605 3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.184 0.405 0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.127 -1.130 1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.604 -0.138 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.472 3.914 1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.982 2.949 1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.453 2.426 0.443 1.00 0.00 H new ATOM 365 N THR A 26 -2.992 -2.417 4.311 1.00 0.00 N ATOM 366 CA THR A 26 -2.828 -3.837 4.044 1.00 0.00 C ATOM 367 C THR A 26 -2.931 -4.034 2.515 1.00 0.00 C ATOM 368 O THR A 26 -3.743 -3.373 1.869 1.00 0.00 O ATOM 369 CB THR A 26 -3.934 -4.610 4.783 1.00 0.00 C ATOM 370 OG1 THR A 26 -4.050 -4.198 6.133 1.00 0.00 O ATOM 371 CG2 THR A 26 -3.634 -6.106 4.805 1.00 0.00 C ATOM 0 H THR A 26 -3.867 -2.166 4.770 1.00 0.00 H new ATOM 0 HA THR A 26 -1.865 -4.209 4.393 1.00 0.00 H new ATOM 0 HB THR A 26 -4.858 -4.403 4.243 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.763 -4.709 6.571 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.431 -6.629 5.333 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.570 -6.479 3.783 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.686 -6.280 5.315 1.00 0.00 H new ATOM 379 N VAL A 27 -2.170 -4.960 1.921 1.00 0.00 N ATOM 380 CA VAL A 27 -2.267 -5.344 0.512 1.00 0.00 C ATOM 381 C VAL A 27 -2.211 -6.867 0.445 1.00 0.00 C ATOM 382 O VAL A 27 -1.258 -7.477 0.947 1.00 0.00 O ATOM 383 CB VAL A 27 -1.145 -4.713 -0.348 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.519 -4.731 -1.838 1.00 0.00 C ATOM 385 CG2 VAL A 27 -0.814 -3.258 -0.007 1.00 0.00 C ATOM 0 H VAL A 27 -1.449 -5.477 2.424 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.205 -4.972 0.100 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.273 -5.329 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.714 -4.282 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.671 -5.760 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.437 -4.163 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.018 -2.903 -0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.701 -2.640 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.487 -3.193 1.031 1.00 0.00 H new ATOM 395 N GLN A 28 -3.222 -7.505 -0.142 1.00 0.00 N ATOM 396 CA GLN A 28 -3.157 -8.925 -0.462 1.00 0.00 C ATOM 397 C GLN A 28 -2.337 -9.136 -1.753 1.00 0.00 C ATOM 398 O GLN A 28 -2.090 -8.169 -2.474 1.00 0.00 O ATOM 399 CB GLN A 28 -4.590 -9.479 -0.503 1.00 0.00 C ATOM 400 CG GLN A 28 -5.288 -9.417 0.865 1.00 0.00 C ATOM 401 CD GLN A 28 -6.315 -8.309 1.058 1.00 0.00 C ATOM 402 OE1 GLN A 28 -7.413 -8.325 0.500 1.00 0.00 O ATOM 403 NE2 GLN A 28 -6.006 -7.338 1.908 1.00 0.00 N ATOM 0 H GLN A 28 -4.099 -7.056 -0.406 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.627 -9.493 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.173 -8.914 -1.230 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.566 -10.513 -0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.782 -10.373 1.039 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.522 -9.309 1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.095 -7.332 2.366 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.680 -6.598 2.103 1.00 0.00 H new ATOM 412 N PRO A 29 -1.836 -10.349 -2.043 1.00 0.00 N ATOM 413 CA PRO A 29 -1.105 -10.624 -3.279 1.00 0.00 C ATOM 414 C PRO A 29 -2.059 -10.736 -4.478 1.00 0.00 C ATOM 415 O PRO A 29 -3.264 -10.909 -4.300 1.00 0.00 O ATOM 416 CB PRO A 29 -0.364 -11.934 -3.028 1.00 0.00 C ATOM 417 CG PRO A 29 -1.214 -12.644 -1.988 1.00 0.00 C ATOM 418 CD PRO A 29 -1.824 -11.511 -1.170 1.00 0.00 C ATOM 0 HA PRO A 29 -0.416 -9.817 -3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.275 -12.523 -3.941 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.648 -11.757 -2.663 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.984 -13.258 -2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.612 -13.306 -1.365 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.833 -11.764 -0.844 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.237 -11.318 -0.272 1.00 0.00 H new ATOM 426 N ASN A 30 -1.490 -10.721 -5.690 1.00 0.00 N ATOM 427 CA ASN A 30 -2.153 -10.916 -6.992 1.00 0.00 C ATOM 428 C ASN A 30 -3.468 -10.138 -7.158 1.00 0.00 C ATOM 429 O ASN A 30 -4.460 -10.651 -7.681 1.00 0.00 O ATOM 430 CB ASN A 30 -2.292 -12.417 -7.308 1.00 0.00 C ATOM 431 CG ASN A 30 -0.973 -13.018 -7.765 1.00 0.00 C ATOM 432 OD1 ASN A 30 -0.397 -12.569 -8.757 1.00 0.00 O ATOM 433 ND2 ASN A 30 -0.470 -14.033 -7.089 1.00 0.00 N ATOM 0 H ASN A 30 -0.488 -10.562 -5.798 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.499 -10.473 -7.743 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.645 -12.945 -6.422 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.045 -12.558 -8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.409 -14.458 -7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.960 -14.393 -6.270 1.00 0.00 H new ATOM 440 N ILE A 31 -3.487 -8.873 -6.719 1.00 0.00 N ATOM 441 CA ILE A 31 -4.702 -8.061 -6.729 1.00 0.00 C ATOM 442 C ILE A 31 -4.449 -6.594 -7.110 1.00 0.00 C ATOM 443 O ILE A 31 -5.395 -5.806 -7.152 1.00 0.00 O ATOM 444 CB ILE A 31 -5.462 -8.293 -5.405 1.00 0.00 C ATOM 445 CG1 ILE A 31 -6.877 -7.684 -5.410 1.00 0.00 C ATOM 446 CG2 ILE A 31 -4.660 -7.778 -4.211 1.00 0.00 C ATOM 447 CD1 ILE A 31 -7.876 -8.538 -4.637 1.00 0.00 C ATOM 0 H ILE A 31 -2.667 -8.391 -6.351 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.360 -8.386 -7.534 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.583 -9.372 -5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.842 -6.685 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.218 -7.571 -6.439 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.220 -7.955 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.706 -8.302 -4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.481 -6.709 -4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.859 -8.067 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.933 -9.529 -5.088 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.551 -8.629 -3.600 1.00 0.00 H new ATOM 459 N GLY A 32 -3.220 -6.182 -7.434 1.00 0.00 N ATOM 460 CA GLY A 32 -2.955 -4.836 -7.916 1.00 0.00 C ATOM 461 C GLY A 32 -1.482 -4.591 -8.175 1.00 0.00 C ATOM 462 O GLY A 32 -0.647 -4.818 -7.293 1.00 0.00 O ATOM 0 H GLY A 32 -2.391 -6.772 -7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.515 -4.666 -8.835 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.317 -4.114 -7.184 1.00 0.00 H new ATOM 466 N LEU A 33 -1.184 -4.056 -9.360 1.00 0.00 N ATOM 467 CA LEU A 33 0.106 -3.452 -9.655 1.00 0.00 C ATOM 468 C LEU A 33 0.352 -2.303 -8.679 1.00 0.00 C ATOM 469 O LEU A 33 -0.542 -1.494 -8.452 1.00 0.00 O ATOM 470 CB LEU A 33 0.111 -2.936 -11.101 1.00 0.00 C ATOM 471 CG LEU A 33 1.371 -2.122 -11.448 1.00 0.00 C ATOM 472 CD1 LEU A 33 2.658 -2.949 -11.348 1.00 0.00 C ATOM 473 CD2 LEU A 33 1.211 -1.539 -12.847 1.00 0.00 C ATOM 0 H LEU A 33 -1.838 -4.032 -10.143 1.00 0.00 H new ATOM 0 HA LEU A 33 0.899 -4.191 -9.545 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.034 -3.783 -11.783 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.771 -2.316 -11.262 1.00 0.00 H new ATOM 0 HG LEU A 33 1.469 -1.321 -10.715 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.513 -2.323 -11.604 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.773 -3.322 -10.330 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.604 -3.790 -12.039 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.098 -0.960 -13.104 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.085 -2.348 -13.566 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.335 -0.891 -12.873 1.00 0.00 H new ATOM 485 N LEU A 34 1.572 -2.211 -8.152 1.00 0.00 N ATOM 486 CA LEU A 34 2.016 -1.117 -7.311 1.00 0.00 C ATOM 487 C LEU A 34 2.855 -0.144 -8.143 1.00 0.00 C ATOM 488 O LEU A 34 4.082 -0.184 -8.083 1.00 0.00 O ATOM 489 CB LEU A 34 2.762 -1.686 -6.099 1.00 0.00 C ATOM 490 CG LEU A 34 1.824 -2.360 -5.080 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.428 -3.591 -4.408 1.00 0.00 C ATOM 492 CD2 LEU A 34 1.463 -1.367 -3.980 1.00 0.00 C ATOM 0 H LEU A 34 2.292 -2.917 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 34 1.170 -0.548 -6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.500 -2.411 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.309 -0.883 -5.606 1.00 0.00 H new ATOM 0 HG LEU A 34 0.951 -2.681 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.709 -4.011 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.672 -4.336 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.335 -3.306 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.799 -1.846 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.371 -1.039 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.961 -0.505 -4.419 1.00 0.00 H new ATOM 504 N TYR A 35 2.206 0.659 -8.989 1.00 0.00 N ATOM 505 CA TYR A 35 2.891 1.540 -9.933 1.00 0.00 C ATOM 506 C TYR A 35 3.493 2.766 -9.229 1.00 0.00 C ATOM 507 O TYR A 35 3.107 3.108 -8.109 1.00 0.00 O ATOM 508 CB TYR A 35 1.939 1.936 -11.075 1.00 0.00 C ATOM 509 CG TYR A 35 0.695 2.724 -10.695 1.00 0.00 C ATOM 510 CD1 TYR A 35 0.797 4.104 -10.446 1.00 0.00 C ATOM 511 CD2 TYR A 35 -0.574 2.107 -10.653 1.00 0.00 C ATOM 512 CE1 TYR A 35 -0.347 4.873 -10.189 1.00 0.00 C ATOM 513 CE2 TYR A 35 -1.733 2.877 -10.419 1.00 0.00 C ATOM 514 CZ TYR A 35 -1.622 4.268 -10.195 1.00 0.00 C ATOM 515 OH TYR A 35 -2.721 5.045 -9.997 1.00 0.00 O ATOM 0 H TYR A 35 1.189 0.716 -9.038 1.00 0.00 H new ATOM 0 HA TYR A 35 3.729 0.995 -10.369 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.504 2.523 -11.799 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.621 1.025 -11.582 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.768 4.577 -10.453 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.658 1.040 -10.801 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.252 5.930 -9.986 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.704 2.404 -10.411 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.548 5.948 -10.335 1.00 0.00 H new ATOM 525 N ASP A 36 4.420 3.451 -9.904 1.00 0.00 N ATOM 526 CA ASP A 36 5.046 4.698 -9.463 1.00 0.00 C ATOM 527 C ASP A 36 4.036 5.843 -9.491 1.00 0.00 C ATOM 528 O ASP A 36 3.526 6.195 -10.551 1.00 0.00 O ATOM 529 CB ASP A 36 6.290 5.035 -10.308 1.00 0.00 C ATOM 530 CG ASP A 36 6.010 5.260 -11.797 1.00 0.00 C ATOM 531 OD1 ASP A 36 5.617 4.273 -12.465 1.00 0.00 O ATOM 532 OD2 ASP A 36 6.288 6.363 -12.317 1.00 0.00 O ATOM 0 H ASP A 36 4.768 3.138 -10.810 1.00 0.00 H new ATOM 0 HA ASP A 36 5.380 4.560 -8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.757 5.931 -9.901 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.012 4.225 -10.206 1.00 0.00 H new ATOM 537 N GLY A 37 3.703 6.390 -8.323 1.00 0.00 N ATOM 538 CA GLY A 37 2.785 7.511 -8.148 1.00 0.00 C ATOM 539 C GLY A 37 1.501 7.116 -7.414 1.00 0.00 C ATOM 540 O GLY A 37 0.702 7.995 -7.083 1.00 0.00 O ATOM 0 H GLY A 37 4.081 6.050 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.287 8.303 -7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.528 7.921 -9.125 1.00 0.00 H new ATOM 544 N MET A 38 1.300 5.822 -7.127 1.00 0.00 N ATOM 545 CA MET A 38 0.117 5.287 -6.453 1.00 0.00 C ATOM 546 C MET A 38 -0.201 6.053 -5.176 1.00 0.00 C ATOM 547 O MET A 38 -1.334 6.490 -4.970 1.00 0.00 O ATOM 548 CB MET A 38 0.320 3.818 -6.062 1.00 0.00 C ATOM 549 CG MET A 38 -0.203 2.844 -7.106 1.00 0.00 C ATOM 550 SD MET A 38 -0.471 1.211 -6.391 1.00 0.00 S ATOM 551 CE MET A 38 -2.056 1.472 -5.584 1.00 0.00 C ATOM 0 H MET A 38 1.979 5.100 -7.366 1.00 0.00 H new ATOM 0 HA MET A 38 -0.704 5.387 -7.163 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.383 3.634 -5.903 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.182 3.628 -5.113 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.137 3.220 -7.523 1.00 0.00 H new ATOM 0 HG3 MET A 38 0.508 2.772 -7.929 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.326 0.582 -5.016 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.985 2.325 -4.909 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.820 1.668 -6.337 1.00 0.00 H new ATOM 561 N PHE A 39 0.797 6.154 -4.301 1.00 0.00 N ATOM 562 CA PHE A 39 0.655 6.642 -2.938 1.00 0.00 C ATOM 563 C PHE A 39 1.056 8.111 -2.825 1.00 0.00 C ATOM 564 O PHE A 39 1.182 8.634 -1.716 1.00 0.00 O ATOM 565 CB PHE A 39 1.515 5.751 -2.028 1.00 0.00 C ATOM 566 CG PHE A 39 1.201 4.265 -2.107 1.00 0.00 C ATOM 567 CD1 PHE A 39 -0.070 3.794 -1.727 1.00 0.00 C ATOM 568 CD2 PHE A 39 2.166 3.344 -2.570 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.368 2.422 -1.791 1.00 0.00 C ATOM 570 CE2 PHE A 39 1.878 1.973 -2.609 1.00 0.00 C ATOM 571 CZ PHE A 39 0.610 1.508 -2.217 1.00 0.00 C ATOM 0 H PHE A 39 1.755 5.889 -4.531 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.389 6.589 -2.631 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.564 5.900 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.388 6.080 -0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.820 4.491 -1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.133 3.698 -2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.350 2.070 -1.512 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.631 1.273 -2.940 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.389 0.451 -2.243 1.00 0.00 H new ATOM 581 N SER A 40 1.268 8.777 -3.958 1.00 0.00 N ATOM 582 CA SER A 40 1.752 10.134 -3.999 1.00 0.00 C ATOM 583 C SER A 40 0.679 11.040 -3.414 1.00 0.00 C ATOM 584 O SER A 40 -0.400 11.182 -3.991 1.00 0.00 O ATOM 585 CB SER A 40 2.141 10.475 -5.438 1.00 0.00 C ATOM 586 OG SER A 40 2.858 11.686 -5.524 1.00 0.00 O ATOM 0 H SER A 40 1.103 8.374 -4.880 1.00 0.00 H new ATOM 0 HA SER A 40 2.650 10.274 -3.397 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.745 9.667 -5.850 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.241 10.544 -6.049 1.00 0.00 H new ATOM 0 HG SER A 40 3.088 11.864 -6.460 1.00 0.00 H new ATOM 592 N GLY A 41 0.957 11.631 -2.252 1.00 0.00 N ATOM 593 CA GLY A 41 0.026 12.490 -1.537 1.00 0.00 C ATOM 594 C GLY A 41 -0.562 11.817 -0.303 1.00 0.00 C ATOM 595 O GLY A 41 -1.292 12.467 0.449 1.00 0.00 O ATOM 0 H GLY A 41 1.853 11.521 -1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.538 13.405 -1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.782 12.781 -2.208 1.00 0.00 H new ATOM 599 N CYS A 42 -0.263 10.540 -0.049 1.00 0.00 N ATOM 600 CA CYS A 42 -0.578 9.896 1.215 1.00 0.00 C ATOM 601 C CYS A 42 0.440 10.366 2.270 1.00 0.00 C ATOM 602 O CYS A 42 1.318 9.620 2.698 1.00 0.00 O ATOM 603 CB CYS A 42 -0.594 8.374 1.039 1.00 0.00 C ATOM 604 SG CYS A 42 -1.779 7.827 -0.232 1.00 0.00 S ATOM 0 H CYS A 42 0.205 9.929 -0.719 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.574 10.177 1.559 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.405 8.033 0.769 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.845 7.905 1.990 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.741 6.531 -0.332 1.00 0.00 H new ATOM 610 N THR A 43 0.311 11.615 2.704 1.00 0.00 N ATOM 611 CA THR A 43 1.230 12.350 3.569 1.00 0.00 C ATOM 612 C THR A 43 1.195 11.876 5.031 1.00 0.00 C ATOM 613 O THR A 43 1.836 12.464 5.907 1.00 0.00 O ATOM 614 CB THR A 43 0.885 13.845 3.447 1.00 0.00 C ATOM 615 OG1 THR A 43 -0.508 14.059 3.614 1.00 0.00 O ATOM 616 CG2 THR A 43 1.258 14.422 2.077 1.00 0.00 C ATOM 0 H THR A 43 -0.496 12.182 2.442 1.00 0.00 H new ATOM 0 HA THR A 43 2.253 12.163 3.243 1.00 0.00 H new ATOM 0 HB THR A 43 1.461 14.342 4.228 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.704 15.016 3.534 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.994 15.479 2.043 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.330 14.310 1.915 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.716 13.887 1.297 1.00 0.00 H new ATOM 624 N ALA A 44 0.423 10.829 5.324 1.00 0.00 N ATOM 625 CA ALA A 44 0.343 10.156 6.605 1.00 0.00 C ATOM 626 C ALA A 44 0.248 8.660 6.336 1.00 0.00 C ATOM 627 O ALA A 44 -0.678 8.012 6.809 1.00 0.00 O ATOM 628 CB ALA A 44 -0.894 10.644 7.354 1.00 0.00 C ATOM 0 H ALA A 44 -0.195 10.410 4.629 1.00 0.00 H new ATOM 0 HA ALA A 44 1.220 10.369 7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.958 10.140 8.318 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.823 11.720 7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.786 10.421 6.768 1.00 0.00 H new ATOM 634 N LEU A 45 1.135 8.126 5.506 1.00 0.00 N ATOM 635 CA LEU A 45 1.166 6.708 5.181 1.00 0.00 C ATOM 636 C LEU A 45 2.529 6.153 5.531 1.00 0.00 C ATOM 637 O LEU A 45 3.493 6.412 4.814 1.00 0.00 O ATOM 638 CB LEU A 45 0.815 6.530 3.711 1.00 0.00 C ATOM 639 CG LEU A 45 0.941 5.094 3.191 1.00 0.00 C ATOM 640 CD1 LEU A 45 -0.089 4.160 3.831 1.00 0.00 C ATOM 641 CD2 LEU A 45 0.725 5.166 1.679 1.00 0.00 C ATOM 0 H LEU A 45 1.858 8.670 5.036 1.00 0.00 H new ATOM 0 HA LEU A 45 0.430 6.151 5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.208 6.871 3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.462 7.175 3.116 1.00 0.00 H new ATOM 0 HG LEU A 45 1.920 4.686 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.037 3.153 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.056 4.144 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.094 4.517 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.804 4.166 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.265 5.572 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.482 5.811 1.234 1.00 0.00 H new ATOM 653 N GLU A 46 2.584 5.400 6.631 1.00 0.00 N ATOM 654 CA GLU A 46 3.825 4.892 7.200 1.00 0.00 C ATOM 655 C GLU A 46 3.868 3.361 7.352 1.00 0.00 C ATOM 656 O GLU A 46 4.945 2.802 7.577 1.00 0.00 O ATOM 657 CB GLU A 46 4.127 5.615 8.516 1.00 0.00 C ATOM 658 CG GLU A 46 3.117 5.347 9.633 1.00 0.00 C ATOM 659 CD GLU A 46 3.617 5.886 10.981 1.00 0.00 C ATOM 660 OE1 GLU A 46 4.727 5.474 11.409 1.00 0.00 O ATOM 661 OE2 GLU A 46 2.876 6.668 11.629 1.00 0.00 O ATOM 0 H GLU A 46 1.754 5.124 7.156 1.00 0.00 H new ATOM 0 HA GLU A 46 4.617 5.112 6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.118 5.318 8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.164 6.688 8.326 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.164 5.814 9.384 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.936 4.275 9.713 1.00 0.00 H new ATOM 668 N LYS A 47 2.742 2.653 7.190 1.00 0.00 N ATOM 669 CA LYS A 47 2.657 1.216 7.433 1.00 0.00 C ATOM 670 C LYS A 47 2.014 0.514 6.255 1.00 0.00 C ATOM 671 O LYS A 47 0.881 0.832 5.879 1.00 0.00 O ATOM 672 CB LYS A 47 1.861 0.976 8.727 1.00 0.00 C ATOM 673 CG LYS A 47 2.786 0.941 9.949 1.00 0.00 C ATOM 674 CD LYS A 47 3.090 -0.511 10.351 1.00 0.00 C ATOM 675 CE LYS A 47 4.467 -0.646 10.990 1.00 0.00 C ATOM 676 NZ LYS A 47 4.611 0.088 12.264 1.00 0.00 N ATOM 0 H LYS A 47 1.862 3.069 6.885 1.00 0.00 H new ATOM 0 HA LYS A 47 3.659 0.803 7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.119 1.764 8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.317 0.035 8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.715 1.465 9.725 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.318 1.465 10.782 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.330 -0.861 11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.034 -1.151 9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.673 -1.702 11.165 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.219 -0.286 10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.572 -0.051 12.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.446 1.102 12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.917 -0.270 12.951 1.00 0.00 H new ATOM 690 N LEU A 48 2.722 -0.466 5.707 1.00 0.00 N ATOM 691 CA LEU A 48 2.225 -1.390 4.707 1.00 0.00 C ATOM 692 C LEU A 48 2.287 -2.784 5.303 1.00 0.00 C ATOM 693 O LEU A 48 3.274 -3.122 5.961 1.00 0.00 O ATOM 694 CB LEU A 48 3.107 -1.337 3.460 1.00 0.00 C ATOM 695 CG LEU A 48 2.452 -2.074 2.279 1.00 0.00 C ATOM 696 CD1 LEU A 48 1.755 -1.075 1.369 1.00 0.00 C ATOM 697 CD2 LEU A 48 3.516 -2.834 1.501 1.00 0.00 C ATOM 0 H LEU A 48 3.694 -0.642 5.960 1.00 0.00 H new ATOM 0 HA LEU A 48 1.205 -1.128 4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.291 -0.298 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.076 -1.785 3.678 1.00 0.00 H new ATOM 0 HG LEU A 48 1.713 -2.780 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.293 -1.603 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.987 -0.544 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.484 -0.360 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.052 -3.356 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.261 -2.133 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.999 -3.558 2.157 1.00 0.00 H new ATOM 709 N ILE A 49 1.278 -3.612 5.042 1.00 0.00 N ATOM 710 CA ILE A 49 1.243 -4.992 5.499 1.00 0.00 C ATOM 711 C ILE A 49 0.928 -5.865 4.299 1.00 0.00 C ATOM 712 O ILE A 49 0.005 -5.564 3.541 1.00 0.00 O ATOM 713 CB ILE A 49 0.240 -5.162 6.662 1.00 0.00 C ATOM 714 CG1 ILE A 49 0.611 -4.250 7.851 1.00 0.00 C ATOM 715 CG2 ILE A 49 0.285 -6.627 7.129 1.00 0.00 C ATOM 716 CD1 ILE A 49 -0.070 -2.878 7.917 1.00 0.00 C ATOM 0 H ILE A 49 0.457 -3.338 4.503 1.00 0.00 H new ATOM 0 HA ILE A 49 2.207 -5.297 5.907 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.756 -4.889 6.314 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.383 -4.786 8.772 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.689 -4.092 7.833 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.417 -6.769 7.951 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.011 -7.281 6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.292 -6.871 7.466 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.279 -2.341 8.799 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.176 -2.306 7.022 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.150 -3.010 7.977 1.00 0.00 H new ATOM 728 N LEU A 50 1.696 -6.937 4.118 1.00 0.00 N ATOM 729 CA LEU A 50 1.573 -7.830 2.973 1.00 0.00 C ATOM 730 C LEU A 50 1.032 -9.168 3.438 1.00 0.00 C ATOM 731 O LEU A 50 1.715 -9.883 4.172 1.00 0.00 O ATOM 732 CB LEU A 50 2.920 -7.999 2.256 1.00 0.00 C ATOM 733 CG LEU A 50 3.452 -6.717 1.594 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.631 -7.056 0.684 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.393 -5.985 0.757 1.00 0.00 C ATOM 0 H LEU A 50 2.430 -7.211 4.771 1.00 0.00 H new ATOM 0 HA LEU A 50 0.878 -7.394 2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.658 -8.356 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.818 -8.772 1.494 1.00 0.00 H new ATOM 0 HG LEU A 50 3.753 -6.055 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.004 -6.144 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.426 -7.514 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.306 -7.752 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.832 -5.089 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.038 -6.642 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.556 -5.703 1.396 1.00 0.00 H new ATOM 747 N THR A 51 -0.182 -9.524 3.012 1.00 0.00 N ATOM 748 CA THR A 51 -0.813 -10.782 3.408 1.00 0.00 C ATOM 749 C THR A 51 -0.374 -11.961 2.514 1.00 0.00 C ATOM 750 O THR A 51 -1.034 -13.004 2.507 1.00 0.00 O ATOM 751 CB THR A 51 -2.345 -10.650 3.574 1.00 0.00 C ATOM 752 OG1 THR A 51 -3.050 -11.034 2.411 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.810 -9.248 3.978 1.00 0.00 C ATOM 0 H THR A 51 -0.751 -8.952 2.387 1.00 0.00 H new ATOM 0 HA THR A 51 -0.445 -11.026 4.404 1.00 0.00 H new ATOM 0 HB THR A 51 -2.575 -11.334 4.391 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.978 -11.244 2.645 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.896 -9.238 4.074 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.359 -8.976 4.932 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.507 -8.530 3.216 1.00 0.00 H new ATOM 761 N GLY A 52 0.670 -11.788 1.703 1.00 0.00 N ATOM 762 CA GLY A 52 1.285 -12.839 0.911 1.00 0.00 C ATOM 763 C GLY A 52 2.565 -13.317 1.586 1.00 0.00 C ATOM 764 O GLY A 52 2.965 -12.799 2.633 1.00 0.00 O ATOM 0 H GLY A 52 1.121 -10.881 1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.592 -13.672 0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.508 -12.469 -0.090 1.00 0.00 H new ATOM 768 N GLU A 53 3.196 -14.322 0.988 1.00 0.00 N ATOM 769 CA GLU A 53 4.325 -15.068 1.534 1.00 0.00 C ATOM 770 C GLU A 53 5.378 -15.272 0.433 1.00 0.00 C ATOM 771 O GLU A 53 6.087 -16.281 0.400 1.00 0.00 O ATOM 772 CB GLU A 53 3.789 -16.383 2.144 1.00 0.00 C ATOM 773 CG GLU A 53 3.227 -16.144 3.556 1.00 0.00 C ATOM 774 CD GLU A 53 2.158 -17.154 3.957 1.00 0.00 C ATOM 775 OE1 GLU A 53 1.060 -17.132 3.358 1.00 0.00 O ATOM 776 OE2 GLU A 53 2.365 -17.911 4.933 1.00 0.00 O ATOM 0 H GLU A 53 2.921 -14.655 0.064 1.00 0.00 H new ATOM 0 HA GLU A 53 4.826 -14.524 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.010 -16.795 1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.590 -17.121 2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.044 -16.184 4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.806 -15.140 3.607 1.00 0.00 H new ATOM 783 N ASP A 54 5.460 -14.332 -0.518 1.00 0.00 N ATOM 784 CA ASP A 54 6.404 -14.400 -1.630 1.00 0.00 C ATOM 785 C ASP A 54 6.576 -13.033 -2.300 1.00 0.00 C ATOM 786 O ASP A 54 5.598 -12.282 -2.386 1.00 0.00 O ATOM 787 CB ASP A 54 5.841 -15.358 -2.688 1.00 0.00 C ATOM 788 CG ASP A 54 6.956 -15.902 -3.564 1.00 0.00 C ATOM 789 OD1 ASP A 54 7.605 -16.892 -3.149 1.00 0.00 O ATOM 790 OD2 ASP A 54 7.193 -15.345 -4.658 1.00 0.00 O ATOM 0 H ASP A 54 4.869 -13.501 -0.533 1.00 0.00 H new ATOM 0 HA ASP A 54 7.365 -14.735 -1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.320 -16.182 -2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.108 -14.838 -3.304 1.00 0.00 H new ATOM 795 N PRO A 55 7.768 -12.708 -2.829 1.00 0.00 N ATOM 796 CA PRO A 55 7.999 -11.510 -3.631 1.00 0.00 C ATOM 797 C PRO A 55 7.252 -11.543 -4.965 1.00 0.00 C ATOM 798 O PRO A 55 6.678 -10.532 -5.376 1.00 0.00 O ATOM 799 CB PRO A 55 9.520 -11.414 -3.815 1.00 0.00 C ATOM 800 CG PRO A 55 10.033 -12.824 -3.538 1.00 0.00 C ATOM 801 CD PRO A 55 9.013 -13.414 -2.584 1.00 0.00 C ATOM 0 HA PRO A 55 7.608 -10.625 -3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.777 -11.090 -4.823 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.957 -10.691 -3.126 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.104 -13.409 -4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.028 -12.805 -3.094 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.893 -14.484 -2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.332 -13.291 -1.549 1.00 0.00 H new ATOM 809 N SER A 56 7.246 -12.676 -5.664 1.00 0.00 N ATOM 810 CA SER A 56 6.651 -12.755 -6.995 1.00 0.00 C ATOM 811 C SER A 56 5.117 -12.762 -6.960 1.00 0.00 C ATOM 812 O SER A 56 4.498 -12.464 -7.979 1.00 0.00 O ATOM 813 CB SER A 56 7.211 -13.970 -7.738 1.00 0.00 C ATOM 814 OG SER A 56 8.628 -13.882 -7.790 1.00 0.00 O ATOM 0 H SER A 56 7.647 -13.552 -5.330 1.00 0.00 H new ATOM 0 HA SER A 56 6.926 -11.852 -7.540 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.911 -14.888 -7.233 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.801 -14.013 -8.747 1.00 0.00 H new ATOM 0 HG SER A 56 8.987 -14.661 -8.264 1.00 0.00 H new ATOM 820 N ALA A 57 4.497 -13.010 -5.798 1.00 0.00 N ATOM 821 CA ALA A 57 3.050 -12.899 -5.620 1.00 0.00 C ATOM 822 C ALA A 57 2.547 -11.447 -5.668 1.00 0.00 C ATOM 823 O ALA A 57 1.337 -11.218 -5.666 1.00 0.00 O ATOM 824 CB ALA A 57 2.640 -13.544 -4.296 1.00 0.00 C ATOM 0 H ALA A 57 4.992 -13.295 -4.953 1.00 0.00 H new ATOM 0 HA ALA A 57 2.587 -13.423 -6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.561 -13.458 -4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.922 -14.597 -4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.144 -13.037 -3.473 1.00 0.00 H new ATOM 830 N TYR A 58 3.448 -10.466 -5.697 1.00 0.00 N ATOM 831 CA TYR A 58 3.141 -9.044 -5.756 1.00 0.00 C ATOM 832 C TYR A 58 3.537 -8.492 -7.121 1.00 0.00 C ATOM 833 O TYR A 58 3.760 -9.242 -8.072 1.00 0.00 O ATOM 834 CB TYR A 58 3.802 -8.340 -4.559 1.00 0.00 C ATOM 835 CG TYR A 58 2.990 -8.538 -3.302 1.00 0.00 C ATOM 836 CD1 TYR A 58 1.878 -7.711 -3.055 1.00 0.00 C ATOM 837 CD2 TYR A 58 3.284 -9.602 -2.433 1.00 0.00 C ATOM 838 CE1 TYR A 58 1.054 -7.951 -1.945 1.00 0.00 C ATOM 839 CE2 TYR A 58 2.468 -9.841 -1.314 1.00 0.00 C ATOM 840 CZ TYR A 58 1.346 -9.021 -1.069 1.00 0.00 C ATOM 841 OH TYR A 58 0.561 -9.256 0.016 1.00 0.00 O ATOM 0 H TYR A 58 4.451 -10.651 -5.679 1.00 0.00 H new ATOM 0 HA TYR A 58 2.071 -8.858 -5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.808 -8.732 -4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.902 -7.275 -4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.659 -6.890 -3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.137 -10.236 -2.625 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.198 -7.319 -1.760 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.700 -10.653 -0.641 1.00 0.00 H new ATOM 0 HH TYR A 58 0.039 -8.453 0.222 1.00 0.00 H new ATOM 851 N SER A 59 3.542 -7.174 -7.267 1.00 0.00 N ATOM 852 CA SER A 59 4.115 -6.453 -8.384 1.00 0.00 C ATOM 853 C SER A 59 4.678 -5.147 -7.832 1.00 0.00 C ATOM 854 O SER A 59 4.414 -4.816 -6.677 1.00 0.00 O ATOM 855 CB SER A 59 3.009 -6.167 -9.391 1.00 0.00 C ATOM 856 OG SER A 59 2.432 -7.362 -9.865 1.00 0.00 O ATOM 0 H SER A 59 3.125 -6.553 -6.573 1.00 0.00 H new ATOM 0 HA SER A 59 4.902 -7.023 -8.877 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.241 -5.548 -8.926 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.414 -5.598 -10.228 1.00 0.00 H new ATOM 0 HG SER A 59 2.885 -8.129 -9.456 1.00 0.00 H new ATOM 862 N ALA A 60 5.391 -4.368 -8.636 1.00 0.00 N ATOM 863 CA ALA A 60 5.859 -3.024 -8.312 1.00 0.00 C ATOM 864 C ALA A 60 6.327 -2.421 -9.636 1.00 0.00 C ATOM 865 O ALA A 60 6.975 -3.118 -10.423 1.00 0.00 O ATOM 866 CB ALA A 60 6.996 -3.112 -7.286 1.00 0.00 C ATOM 0 H ALA A 60 5.671 -4.667 -9.570 1.00 0.00 H new ATOM 0 HA ALA A 60 5.084 -2.402 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.346 -2.109 -7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.632 -3.598 -6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.819 -3.692 -7.704 1.00 0.00 H new ATOM 872 N GLY A 61 6.001 -1.155 -9.877 1.00 0.00 N ATOM 873 CA GLY A 61 6.756 -0.321 -10.792 1.00 0.00 C ATOM 874 C GLY A 61 8.067 0.057 -10.110 1.00 0.00 C ATOM 875 O GLY A 61 8.438 -0.531 -9.091 1.00 0.00 O ATOM 0 H GLY A 61 5.207 -0.684 -9.442 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.950 -0.854 -11.722 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.188 0.573 -11.050 1.00 0.00 H new ATOM 879 N ASP A 62 8.764 1.053 -10.654 1.00 0.00 N ATOM 880 CA ASP A 62 10.001 1.524 -10.042 1.00 0.00 C ATOM 881 C ASP A 62 9.707 2.059 -8.644 1.00 0.00 C ATOM 882 O ASP A 62 10.211 1.549 -7.647 1.00 0.00 O ATOM 883 CB ASP A 62 10.673 2.613 -10.883 1.00 0.00 C ATOM 884 CG ASP A 62 11.894 3.116 -10.115 1.00 0.00 C ATOM 885 OD1 ASP A 62 12.858 2.318 -9.993 1.00 0.00 O ATOM 886 OD2 ASP A 62 11.873 4.248 -9.594 1.00 0.00 O ATOM 0 H ASP A 62 8.496 1.543 -11.507 1.00 0.00 H new ATOM 0 HA ASP A 62 10.689 0.680 -9.982 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.970 2.216 -11.854 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.978 3.431 -11.073 1.00 0.00 H new ATOM 891 N GLY A 63 8.850 3.075 -8.577 1.00 0.00 N ATOM 892 CA GLY A 63 8.578 3.854 -7.390 1.00 0.00 C ATOM 893 C GLY A 63 7.477 3.227 -6.555 1.00 0.00 C ATOM 894 O GLY A 63 6.414 3.828 -6.407 1.00 0.00 O ATOM 0 H GLY A 63 8.309 3.384 -9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.486 3.939 -6.793 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.289 4.865 -7.675 1.00 0.00 H new ATOM 898 N LEU A 64 7.726 2.038 -5.994 1.00 0.00 N ATOM 899 CA LEU A 64 6.794 1.329 -5.115 1.00 0.00 C ATOM 900 C LEU A 64 6.184 2.291 -4.078 1.00 0.00 C ATOM 901 O LEU A 64 4.969 2.314 -3.903 1.00 0.00 O ATOM 902 CB LEU A 64 7.506 0.171 -4.389 1.00 0.00 C ATOM 903 CG LEU A 64 6.605 -0.515 -3.338 1.00 0.00 C ATOM 904 CD1 LEU A 64 5.257 -0.923 -3.927 1.00 0.00 C ATOM 905 CD2 LEU A 64 7.269 -1.766 -2.763 1.00 0.00 C ATOM 0 H LEU A 64 8.600 1.533 -6.143 1.00 0.00 H new ATOM 0 HA LEU A 64 5.994 0.922 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.830 -0.568 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.404 0.550 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 64 6.451 0.220 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.653 -1.402 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.739 -0.038 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.415 -1.621 -4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.608 -2.223 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.464 -2.476 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.209 -1.492 -2.285 1.00 0.00 H new ATOM 917 N ARG A 65 7.006 3.099 -3.396 1.00 0.00 N ATOM 918 CA ARG A 65 6.543 4.063 -2.391 1.00 0.00 C ATOM 919 C ARG A 65 6.679 5.496 -2.900 1.00 0.00 C ATOM 920 O ARG A 65 7.098 6.371 -2.146 1.00 0.00 O ATOM 921 CB ARG A 65 7.221 3.832 -1.019 1.00 0.00 C ATOM 922 CG ARG A 65 8.742 4.030 -0.977 1.00 0.00 C ATOM 923 CD ARG A 65 9.316 3.884 0.448 1.00 0.00 C ATOM 924 NE ARG A 65 10.249 4.966 0.817 1.00 0.00 N ATOM 925 CZ ARG A 65 11.347 5.338 0.158 1.00 0.00 C ATOM 926 NH1 ARG A 65 11.793 4.621 -0.869 1.00 0.00 N ATOM 927 NH2 ARG A 65 11.996 6.433 0.515 1.00 0.00 N ATOM 0 H ARG A 65 8.017 3.102 -3.527 1.00 0.00 H new ATOM 0 HA ARG A 65 5.479 3.896 -2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.767 4.507 -0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.998 2.816 -0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.218 3.302 -1.634 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.988 5.019 -1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.493 3.864 1.163 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.831 2.927 0.528 1.00 0.00 H new ATOM 0 HE ARG A 65 10.031 5.485 1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.294 3.779 -1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.634 4.913 -1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.657 6.995 1.296 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.836 6.716 0.010 1.00 0.00 H new ATOM 941 N ASP A 66 6.445 5.766 -4.183 1.00 0.00 N ATOM 942 CA ASP A 66 6.611 7.134 -4.662 1.00 0.00 C ATOM 943 C ASP A 66 5.639 8.066 -3.934 1.00 0.00 C ATOM 944 O ASP A 66 4.429 7.836 -3.934 1.00 0.00 O ATOM 945 CB ASP A 66 6.504 7.276 -6.180 1.00 0.00 C ATOM 946 CG ASP A 66 7.159 8.605 -6.554 1.00 0.00 C ATOM 947 OD1 ASP A 66 8.397 8.718 -6.389 1.00 0.00 O ATOM 948 OD2 ASP A 66 6.460 9.583 -6.881 1.00 0.00 O ATOM 0 H ASP A 66 6.152 5.086 -4.884 1.00 0.00 H new ATOM 0 HA ASP A 66 7.633 7.429 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.003 6.446 -6.681 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.461 7.258 -6.496 1.00 0.00 H new ATOM 953 N GLY A 67 6.187 9.075 -3.253 1.00 0.00 N ATOM 954 CA GLY A 67 5.416 10.112 -2.594 1.00 0.00 C ATOM 955 C GLY A 67 4.903 9.763 -1.195 1.00 0.00 C ATOM 956 O GLY A 67 4.119 10.535 -0.633 1.00 0.00 O ATOM 0 H GLY A 67 7.195 9.189 -3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.032 11.009 -2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.562 10.361 -3.224 1.00 0.00 H new ATOM 960 N ALA A 68 5.356 8.656 -0.605 1.00 0.00 N ATOM 961 CA ALA A 68 5.180 8.340 0.809 1.00 0.00 C ATOM 962 C ALA A 68 6.447 7.643 1.312 1.00 0.00 C ATOM 963 O ALA A 68 7.318 7.282 0.521 1.00 0.00 O ATOM 964 CB ALA A 68 3.933 7.462 0.989 1.00 0.00 C ATOM 0 H ALA A 68 5.869 7.936 -1.114 1.00 0.00 H new ATOM 0 HA ALA A 68 5.028 9.247 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.803 7.227 2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.056 7.997 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.054 6.538 0.424 1.00 0.00 H new ATOM 970 N ASP A 69 6.553 7.420 2.619 1.00 0.00 N ATOM 971 CA ASP A 69 7.673 6.706 3.214 1.00 0.00 C ATOM 972 C ASP A 69 7.135 5.805 4.312 1.00 0.00 C ATOM 973 O ASP A 69 6.890 6.223 5.441 1.00 0.00 O ATOM 974 CB ASP A 69 8.762 7.655 3.709 1.00 0.00 C ATOM 975 CG ASP A 69 9.950 6.829 4.203 1.00 0.00 C ATOM 976 OD1 ASP A 69 10.633 6.196 3.355 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.199 6.800 5.428 1.00 0.00 O ATOM 0 H ASP A 69 5.858 7.733 3.297 1.00 0.00 H new ATOM 0 HA ASP A 69 8.160 6.091 2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.075 8.322 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.378 8.283 4.513 1.00 0.00 H new ATOM 982 N PHE A 70 6.880 4.558 3.926 1.00 0.00 N ATOM 983 CA PHE A 70 6.328 3.527 4.784 1.00 0.00 C ATOM 984 C PHE A 70 7.273 2.337 4.853 1.00 0.00 C ATOM 985 O PHE A 70 8.160 2.175 4.012 1.00 0.00 O ATOM 986 CB PHE A 70 4.940 3.123 4.270 1.00 0.00 C ATOM 987 CG PHE A 70 4.902 2.665 2.827 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.276 1.350 2.497 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.467 3.550 1.823 1.00 0.00 C ATOM 990 CE1 PHE A 70 5.235 0.931 1.158 1.00 0.00 C ATOM 991 CE2 PHE A 70 4.403 3.121 0.487 1.00 0.00 C ATOM 992 CZ PHE A 70 4.787 1.810 0.153 1.00 0.00 C ATOM 0 H PHE A 70 7.059 4.232 2.976 1.00 0.00 H new ATOM 0 HA PHE A 70 6.216 3.912 5.798 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.554 2.322 4.900 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.265 3.971 4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.593 0.666 3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.182 4.560 2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.548 -0.069 0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.060 3.797 -0.282 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.738 1.478 -0.873 1.00 0.00 H new ATOM 1002 N LEU A 71 7.043 1.467 5.831 1.00 0.00 N ATOM 1003 CA LEU A 71 7.731 0.193 5.998 1.00 0.00 C ATOM 1004 C LEU A 71 6.795 -0.937 5.580 1.00 0.00 C ATOM 1005 O LEU A 71 5.576 -0.772 5.552 1.00 0.00 O ATOM 1006 CB LEU A 71 8.154 0.010 7.463 1.00 0.00 C ATOM 1007 CG LEU A 71 9.290 0.910 7.964 1.00 0.00 C ATOM 1008 CD1 LEU A 71 9.534 0.620 9.450 1.00 0.00 C ATOM 1009 CD2 LEU A 71 10.598 0.675 7.208 1.00 0.00 C ATOM 0 H LEU A 71 6.346 1.637 6.556 1.00 0.00 H new ATOM 0 HA LEU A 71 8.625 0.177 5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.281 0.179 8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.454 -1.028 7.605 1.00 0.00 H new ATOM 0 HG LEU A 71 8.986 1.944 7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.340 1.255 9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.625 0.825 10.015 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.811 -0.427 9.576 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.370 1.337 7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.910 -0.362 7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.448 0.882 6.148 1.00 0.00 H new ATOM 1021 N ILE A 72 7.378 -2.082 5.243 1.00 0.00 N ATOM 1022 CA ILE A 72 6.749 -3.237 4.626 1.00 0.00 C ATOM 1023 C ILE A 72 6.825 -4.368 5.644 1.00 0.00 C ATOM 1024 O ILE A 72 7.882 -4.977 5.820 1.00 0.00 O ATOM 1025 CB ILE A 72 7.454 -3.570 3.298 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.503 -2.366 2.330 1.00 0.00 C ATOM 1027 CG2 ILE A 72 6.792 -4.760 2.583 1.00 0.00 C ATOM 1028 CD1 ILE A 72 8.758 -2.457 1.477 1.00 0.00 C ATOM 0 H ILE A 72 8.373 -2.235 5.407 1.00 0.00 H new ATOM 0 HA ILE A 72 5.705 -3.056 4.370 1.00 0.00 H new ATOM 0 HB ILE A 72 8.476 -3.834 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.617 -2.359 1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.499 -1.432 2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.319 -4.963 1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.837 -5.640 3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.751 -4.521 2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.795 -1.609 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.637 -2.443 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.742 -3.384 0.904 1.00 0.00 H new ATOM 1040 N CYS A 73 5.718 -4.631 6.333 1.00 0.00 N ATOM 1041 CA CYS A 73 5.600 -5.802 7.188 1.00 0.00 C ATOM 1042 C CYS A 73 5.406 -7.032 6.295 1.00 0.00 C ATOM 1043 O CYS A 73 4.487 -7.034 5.465 1.00 0.00 O ATOM 1044 CB CYS A 73 4.397 -5.667 8.133 1.00 0.00 C ATOM 1045 SG CYS A 73 4.270 -4.010 8.857 1.00 0.00 S ATOM 0 H CYS A 73 4.885 -4.042 6.313 1.00 0.00 H new ATOM 0 HA CYS A 73 6.502 -5.900 7.792 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.482 -5.893 7.586 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.481 -6.404 8.932 1.00 0.00 H new ATOM 0 HG CYS A 73 3.850 -3.173 7.955 1.00 0.00 H new ATOM 1051 N VAL A 74 6.227 -8.062 6.475 1.00 0.00 N ATOM 1052 CA VAL A 74 6.102 -9.365 5.826 1.00 0.00 C ATOM 1053 C VAL A 74 6.241 -10.427 6.918 1.00 0.00 C ATOM 1054 O VAL A 74 6.843 -10.133 7.953 1.00 0.00 O ATOM 1055 CB VAL A 74 7.162 -9.542 4.712 1.00 0.00 C ATOM 1056 CG1 VAL A 74 7.032 -8.444 3.655 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.612 -9.549 5.219 1.00 0.00 C ATOM 0 H VAL A 74 7.030 -8.011 7.102 1.00 0.00 H new ATOM 0 HA VAL A 74 5.134 -9.458 5.333 1.00 0.00 H new ATOM 0 HB VAL A 74 6.955 -10.524 4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.788 -8.591 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.040 -8.488 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.175 -7.470 4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.291 -9.677 4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.827 -8.604 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.747 -10.370 5.923 1.00 0.00 H new ATOM 1067 N PRO A 75 5.712 -11.647 6.736 1.00 0.00 N ATOM 1068 CA PRO A 75 5.944 -12.706 7.703 1.00 0.00 C ATOM 1069 C PRO A 75 7.428 -13.076 7.679 1.00 0.00 C ATOM 1070 O PRO A 75 8.036 -13.105 6.606 1.00 0.00 O ATOM 1071 CB PRO A 75 5.037 -13.862 7.276 1.00 0.00 C ATOM 1072 CG PRO A 75 4.838 -13.649 5.781 1.00 0.00 C ATOM 1073 CD PRO A 75 4.949 -12.136 5.596 1.00 0.00 C ATOM 0 HA PRO A 75 5.711 -12.419 8.729 1.00 0.00 H new ATOM 0 HB2 PRO A 75 5.499 -14.828 7.483 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.088 -13.842 7.811 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.594 -14.177 5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.867 -14.020 5.452 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.449 -11.893 4.659 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.962 -11.674 5.560 1.00 0.00 H new ATOM 1081 N GLU A 76 8.011 -13.392 8.836 1.00 0.00 N ATOM 1082 CA GLU A 76 9.358 -13.886 9.002 1.00 0.00 C ATOM 1083 C GLU A 76 9.608 -15.085 8.084 1.00 0.00 C ATOM 1084 O GLU A 76 10.630 -15.148 7.403 1.00 0.00 O ATOM 1085 CB GLU A 76 9.548 -14.172 10.494 1.00 0.00 C ATOM 1086 CG GLU A 76 10.626 -15.211 10.762 1.00 0.00 C ATOM 1087 CD GLU A 76 11.342 -14.970 12.090 1.00 0.00 C ATOM 1088 OE1 GLU A 76 10.677 -14.674 13.108 1.00 0.00 O ATOM 1089 OE2 GLU A 76 12.589 -14.990 12.126 1.00 0.00 O ATOM 0 H GLU A 76 7.520 -13.301 9.725 1.00 0.00 H new ATOM 0 HA GLU A 76 10.108 -13.155 8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.807 -13.246 11.007 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.604 -14.517 10.916 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.177 -16.204 10.768 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.354 -15.195 9.951 1.00 0.00 H new ATOM 1096 N GLU A 77 8.649 -16.004 7.994 1.00 0.00 N ATOM 1097 CA GLU A 77 8.710 -17.164 7.132 1.00 0.00 C ATOM 1098 C GLU A 77 8.772 -16.826 5.632 1.00 0.00 C ATOM 1099 O GLU A 77 9.043 -17.710 4.815 1.00 0.00 O ATOM 1100 CB GLU A 77 7.508 -18.054 7.487 1.00 0.00 C ATOM 1101 CG GLU A 77 7.872 -19.528 7.335 1.00 0.00 C ATOM 1102 CD GLU A 77 7.089 -20.419 8.295 1.00 0.00 C ATOM 1103 OE1 GLU A 77 5.906 -20.723 8.022 1.00 0.00 O ATOM 1104 OE2 GLU A 77 7.685 -20.851 9.310 1.00 0.00 O ATOM 0 H GLU A 77 7.787 -15.953 8.537 1.00 0.00 H new ATOM 0 HA GLU A 77 9.647 -17.693 7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.190 -17.855 8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.665 -17.813 6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.679 -19.844 6.310 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.940 -19.657 7.512 1.00 0.00 H new ATOM 1111 N ALA A 78 8.560 -15.564 5.247 1.00 0.00 N ATOM 1112 CA ALA A 78 8.806 -15.043 3.909 1.00 0.00 C ATOM 1113 C ALA A 78 9.908 -13.973 3.890 1.00 0.00 C ATOM 1114 O ALA A 78 10.262 -13.521 2.813 1.00 0.00 O ATOM 1115 CB ALA A 78 7.513 -14.486 3.314 1.00 0.00 C ATOM 0 H ALA A 78 8.199 -14.855 5.886 1.00 0.00 H new ATOM 0 HA ALA A 78 9.158 -15.874 3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.710 -14.100 2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.768 -15.279 3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.138 -13.681 3.947 1.00 0.00 H new ATOM 1121 N LEU A 79 10.471 -13.537 5.020 1.00 0.00 N ATOM 1122 CA LEU A 79 11.353 -12.368 5.091 1.00 0.00 C ATOM 1123 C LEU A 79 12.567 -12.547 4.181 1.00 0.00 C ATOM 1124 O LEU A 79 12.769 -11.787 3.233 1.00 0.00 O ATOM 1125 CB LEU A 79 11.739 -12.119 6.556 1.00 0.00 C ATOM 1126 CG LEU A 79 12.659 -10.904 6.784 1.00 0.00 C ATOM 1127 CD1 LEU A 79 11.977 -9.590 6.395 1.00 0.00 C ATOM 1128 CD2 LEU A 79 13.028 -10.851 8.269 1.00 0.00 C ATOM 0 H LEU A 79 10.326 -13.991 5.922 1.00 0.00 H new ATOM 0 HA LEU A 79 10.830 -11.484 4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.828 -11.982 7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.234 -13.010 6.943 1.00 0.00 H new ATOM 0 HG LEU A 79 13.543 -11.019 6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.660 -8.759 6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.706 -9.619 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.078 -9.455 6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.680 -9.997 8.452 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.122 -10.750 8.866 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.546 -11.769 8.548 1.00 0.00 H new ATOM 1140 N ASP A 80 13.353 -13.597 4.416 1.00 0.00 N ATOM 1141 CA ASP A 80 14.552 -13.866 3.614 1.00 0.00 C ATOM 1142 C ASP A 80 14.207 -14.370 2.204 1.00 0.00 C ATOM 1143 O ASP A 80 15.033 -14.336 1.288 1.00 0.00 O ATOM 1144 CB ASP A 80 15.438 -14.883 4.330 1.00 0.00 C ATOM 1145 CG ASP A 80 16.931 -14.667 4.038 1.00 0.00 C ATOM 1146 OD1 ASP A 80 17.422 -13.515 4.084 1.00 0.00 O ATOM 1147 OD2 ASP A 80 17.614 -15.679 3.751 1.00 0.00 O ATOM 0 H ASP A 80 13.183 -14.278 5.156 1.00 0.00 H new ATOM 0 HA ASP A 80 15.088 -12.924 3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.267 -14.817 5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 80 15.152 -15.889 4.023 1.00 0.00 H new ATOM 1152 N ARG A 81 12.966 -14.838 2.045 1.00 0.00 N ATOM 1153 CA ARG A 81 12.307 -15.199 0.794 1.00 0.00 C ATOM 1154 C ARG A 81 12.099 -13.950 -0.068 1.00 0.00 C ATOM 1155 O ARG A 81 12.403 -13.988 -1.254 1.00 0.00 O ATOM 1156 CB ARG A 81 10.966 -15.887 1.125 1.00 0.00 C ATOM 1157 CG ARG A 81 10.621 -17.051 0.207 1.00 0.00 C ATOM 1158 CD ARG A 81 9.237 -17.611 0.577 1.00 0.00 C ATOM 1159 NE ARG A 81 9.021 -18.933 -0.018 1.00 0.00 N ATOM 1160 CZ ARG A 81 8.040 -19.795 0.280 1.00 0.00 C ATOM 1161 NH1 ARG A 81 7.044 -19.480 1.101 1.00 0.00 N ATOM 1162 NH2 ARG A 81 8.081 -21.005 -0.255 1.00 0.00 N ATOM 0 H ARG A 81 12.354 -14.984 2.848 1.00 0.00 H new ATOM 0 HA ARG A 81 12.927 -15.890 0.223 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.999 -16.247 2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.167 -15.147 1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.624 -16.721 -0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.376 -17.833 0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.148 -17.679 1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.462 -16.925 0.236 1.00 0.00 H new ATOM 0 HE ARG A 81 9.687 -19.227 -0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.009 -18.555 1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.315 -20.164 1.304 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.847 -21.262 -0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.347 -21.681 -0.045 1.00 0.00 H new ATOM 1176 N TYR A 82 11.629 -12.837 0.504 1.00 0.00 N ATOM 1177 CA TYR A 82 11.618 -11.543 -0.164 1.00 0.00 C ATOM 1178 C TYR A 82 13.064 -11.117 -0.425 1.00 0.00 C ATOM 1179 O TYR A 82 13.380 -10.766 -1.558 1.00 0.00 O ATOM 1180 CB TYR A 82 10.859 -10.473 0.649 1.00 0.00 C ATOM 1181 CG TYR A 82 9.344 -10.527 0.543 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.688 -9.922 -0.548 1.00 0.00 C ATOM 1183 CD2 TYR A 82 8.574 -11.151 1.542 1.00 0.00 C ATOM 1184 CE1 TYR A 82 7.289 -9.990 -0.661 1.00 0.00 C ATOM 1185 CE2 TYR A 82 7.181 -11.274 1.406 1.00 0.00 C ATOM 1186 CZ TYR A 82 6.535 -10.721 0.284 1.00 0.00 C ATOM 1187 OH TYR A 82 5.212 -10.945 0.080 1.00 0.00 O ATOM 0 H TYR A 82 11.245 -12.814 1.449 1.00 0.00 H new ATOM 0 HA TYR A 82 11.083 -11.639 -1.109 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.137 -10.574 1.698 1.00 0.00 H new ATOM 0 HB3 TYR A 82 11.194 -9.488 0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.263 -9.404 -1.301 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.060 -11.540 2.424 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.789 -9.482 -1.472 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.607 -11.792 2.160 1.00 0.00 H new ATOM 0 HH TYR A 82 5.089 -11.438 -0.758 1.00 0.00 H new ATOM 1197 N ARG A 83 13.963 -11.156 0.577 1.00 0.00 N ATOM 1198 CA ARG A 83 15.342 -10.653 0.428 1.00 0.00 C ATOM 1199 C ARG A 83 16.116 -11.297 -0.720 1.00 0.00 C ATOM 1200 O ARG A 83 16.947 -10.617 -1.327 1.00 0.00 O ATOM 1201 CB ARG A 83 16.173 -10.847 1.704 1.00 0.00 C ATOM 1202 CG ARG A 83 15.785 -9.906 2.859 1.00 0.00 C ATOM 1203 CD ARG A 83 17.018 -9.563 3.708 1.00 0.00 C ATOM 1204 NE ARG A 83 17.968 -8.730 2.946 1.00 0.00 N ATOM 1205 CZ ARG A 83 19.209 -8.395 3.312 1.00 0.00 C ATOM 1206 NH1 ARG A 83 19.718 -8.787 4.469 1.00 0.00 N ATOM 1207 NH2 ARG A 83 19.955 -7.651 2.502 1.00 0.00 N ATOM 0 H ARG A 83 13.757 -11.533 1.502 1.00 0.00 H new ATOM 0 HA ARG A 83 15.207 -9.593 0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 83 16.067 -11.879 2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 83 17.226 -10.696 1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.345 -8.992 2.460 1.00 0.00 H new ATOM 0 HG3 ARG A 83 15.026 -10.379 3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.708 -9.035 4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 83 17.510 -10.481 4.029 1.00 0.00 H new ATOM 0 HE ARG A 83 17.644 -8.373 2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 83 19.160 -9.358 5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 83 20.668 -8.518 4.726 1.00 0.00 H new ATOM 0 HH21 ARG A 83 19.580 -7.339 1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 83 20.903 -7.392 2.776 1.00 0.00 H new ATOM 1221 N ARG A 84 15.874 -12.564 -1.054 1.00 0.00 N ATOM 1222 CA ARG A 84 16.616 -13.234 -2.126 1.00 0.00 C ATOM 1223 C ARG A 84 16.116 -12.915 -3.536 1.00 0.00 C ATOM 1224 O ARG A 84 16.650 -13.489 -4.489 1.00 0.00 O ATOM 1225 CB ARG A 84 16.693 -14.734 -1.851 1.00 0.00 C ATOM 1226 CG ARG A 84 15.358 -15.465 -1.986 1.00 0.00 C ATOM 1227 CD ARG A 84 15.482 -16.907 -1.492 1.00 0.00 C ATOM 1228 NE ARG A 84 14.645 -17.817 -2.283 1.00 0.00 N ATOM 1229 CZ ARG A 84 15.052 -18.917 -2.920 1.00 0.00 C ATOM 1230 NH1 ARG A 84 16.340 -19.228 -3.032 1.00 0.00 N ATOM 1231 NH2 ARG A 84 14.144 -19.724 -3.445 1.00 0.00 N ATOM 0 H ARG A 84 15.172 -13.148 -0.600 1.00 0.00 H new ATOM 0 HA ARG A 84 17.626 -12.825 -2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 84 17.411 -15.182 -2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.078 -14.888 -0.843 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.592 -14.943 -1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.037 -15.458 -3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 84 16.523 -17.225 -1.550 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.190 -16.960 -0.443 1.00 0.00 H new ATOM 0 HE ARG A 84 13.654 -17.586 -2.353 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.049 -18.618 -2.625 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.619 -20.076 -3.525 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.152 -19.501 -3.359 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.436 -20.569 -3.936 1.00 0.00 H new ATOM 1245 N ASP A 85 15.111 -12.048 -3.693 1.00 0.00 N ATOM 1246 CA ASP A 85 14.623 -11.657 -5.009 1.00 0.00 C ATOM 1247 C ASP A 85 15.692 -10.911 -5.805 1.00 0.00 C ATOM 1248 O ASP A 85 16.721 -10.471 -5.281 1.00 0.00 O ATOM 1249 CB ASP A 85 13.345 -10.805 -4.901 1.00 0.00 C ATOM 1250 CG ASP A 85 12.659 -10.621 -6.258 1.00 0.00 C ATOM 1251 OD1 ASP A 85 12.550 -11.628 -6.989 1.00 0.00 O ATOM 1252 OD2 ASP A 85 12.342 -9.457 -6.612 1.00 0.00 O ATOM 0 H ASP A 85 14.620 -11.604 -2.917 1.00 0.00 H new ATOM 0 HA ASP A 85 14.380 -12.574 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.652 -11.279 -4.206 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.595 -9.828 -4.486 1.00 0.00 H new ATOM 1257 N TYR A 86 15.441 -10.751 -7.096 1.00 0.00 N ATOM 1258 CA TYR A 86 16.211 -9.887 -7.963 1.00 0.00 C ATOM 1259 C TYR A 86 15.922 -8.416 -7.656 1.00 0.00 C ATOM 1260 O TYR A 86 16.857 -7.621 -7.593 1.00 0.00 O ATOM 1261 CB TYR A 86 15.821 -10.237 -9.395 1.00 0.00 C ATOM 1262 CG TYR A 86 16.621 -9.535 -10.469 1.00 0.00 C ATOM 1263 CD1 TYR A 86 16.302 -8.219 -10.862 1.00 0.00 C ATOM 1264 CD2 TYR A 86 17.654 -10.226 -11.123 1.00 0.00 C ATOM 1265 CE1 TYR A 86 16.978 -7.619 -11.936 1.00 0.00 C ATOM 1266 CE2 TYR A 86 18.332 -9.631 -12.197 1.00 0.00 C ATOM 1267 CZ TYR A 86 17.978 -8.333 -12.629 1.00 0.00 C ATOM 1268 OH TYR A 86 18.562 -7.783 -13.728 1.00 0.00 O ATOM 0 H TYR A 86 14.679 -11.231 -7.575 1.00 0.00 H new ATOM 0 HA TYR A 86 17.280 -10.034 -7.811 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.926 -11.313 -9.531 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.767 -10.000 -9.536 1.00 0.00 H new ATOM 0 HD1 TYR A 86 15.535 -7.671 -10.335 1.00 0.00 H new ATOM 0 HD2 TYR A 86 17.927 -11.219 -10.798 1.00 0.00 H new ATOM 0 HE1 TYR A 86 16.732 -6.610 -12.232 1.00 0.00 H new ATOM 0 HE2 TYR A 86 19.127 -10.166 -12.695 1.00 0.00 H new ATOM 0 HH TYR A 86 19.231 -8.402 -14.088 1.00 0.00 H new ATOM 1278 N PHE A 87 14.643 -8.054 -7.503 1.00 0.00 N ATOM 1279 CA PHE A 87 14.172 -6.676 -7.564 1.00 0.00 C ATOM 1280 C PHE A 87 13.872 -6.137 -6.171 1.00 0.00 C ATOM 1281 O PHE A 87 14.342 -5.051 -5.844 1.00 0.00 O ATOM 1282 CB PHE A 87 12.934 -6.618 -8.466 1.00 0.00 C ATOM 1283 CG PHE A 87 12.327 -5.242 -8.685 1.00 0.00 C ATOM 1284 CD1 PHE A 87 11.447 -4.683 -7.734 1.00 0.00 C ATOM 1285 CD2 PHE A 87 12.620 -4.525 -9.861 1.00 0.00 C ATOM 1286 CE1 PHE A 87 10.894 -3.407 -7.950 1.00 0.00 C ATOM 1287 CE2 PHE A 87 12.062 -3.254 -10.076 1.00 0.00 C ATOM 1288 CZ PHE A 87 11.202 -2.692 -9.118 1.00 0.00 C ATOM 0 H PHE A 87 13.897 -8.727 -7.330 1.00 0.00 H new ATOM 0 HA PHE A 87 14.952 -6.042 -7.985 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.199 -7.034 -9.438 1.00 0.00 H new ATOM 0 HB3 PHE A 87 12.169 -7.266 -8.039 1.00 0.00 H new ATOM 0 HD1 PHE A 87 11.198 -5.235 -6.840 1.00 0.00 H new ATOM 0 HD2 PHE A 87 13.278 -4.955 -10.602 1.00 0.00 H new ATOM 0 HE1 PHE A 87 10.230 -2.976 -7.215 1.00 0.00 H new ATOM 0 HE2 PHE A 87 12.294 -2.708 -10.979 1.00 0.00 H new ATOM 0 HZ PHE A 87 10.779 -1.712 -9.280 1.00 0.00 H new ATOM 1298 N TRP A 88 13.134 -6.883 -5.331 1.00 0.00 N ATOM 1299 CA TRP A 88 12.792 -6.425 -3.975 1.00 0.00 C ATOM 1300 C TRP A 88 14.037 -6.048 -3.159 1.00 0.00 C ATOM 1301 O TRP A 88 13.935 -5.243 -2.236 1.00 0.00 O ATOM 1302 CB TRP A 88 11.938 -7.458 -3.227 1.00 0.00 C ATOM 1303 CG TRP A 88 10.485 -7.466 -3.590 1.00 0.00 C ATOM 1304 CD1 TRP A 88 9.924 -8.128 -4.626 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.392 -6.746 -2.941 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.566 -7.878 -4.652 1.00 0.00 N ATOM 1307 CE2 TRP A 88 8.185 -7.043 -3.635 1.00 0.00 C ATOM 1308 CE3 TRP A 88 9.293 -5.848 -1.856 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 6.951 -6.494 -3.278 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 8.050 -5.302 -1.473 1.00 0.00 C ATOM 1311 CH2 TRP A 88 6.877 -5.632 -2.172 1.00 0.00 C ATOM 0 H TRP A 88 12.764 -7.804 -5.567 1.00 0.00 H new ATOM 0 HA TRP A 88 12.196 -5.520 -4.094 1.00 0.00 H new ATOM 0 HB2 TRP A 88 12.349 -8.450 -3.415 1.00 0.00 H new ATOM 0 HB3 TRP A 88 12.028 -7.273 -2.156 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.456 -8.756 -5.326 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.925 -8.267 -5.344 1.00 0.00 H new ATOM 0 HE3 TRP A 88 10.184 -5.575 -1.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 6.064 -6.730 -3.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 8.000 -4.624 -0.634 1.00 0.00 H new ATOM 0 HH2 TRP A 88 5.926 -5.226 -1.861 1.00 0.00 H new ATOM 1322 N GLN A 89 15.212 -6.553 -3.539 1.00 0.00 N ATOM 1323 CA GLN A 89 16.510 -6.212 -2.990 1.00 0.00 C ATOM 1324 C GLN A 89 16.717 -4.717 -2.836 1.00 0.00 C ATOM 1325 O GLN A 89 17.250 -4.278 -1.815 1.00 0.00 O ATOM 1326 CB GLN A 89 17.612 -6.779 -3.896 1.00 0.00 C ATOM 1327 CG GLN A 89 18.196 -8.086 -3.383 1.00 0.00 C ATOM 1328 CD GLN A 89 19.472 -8.413 -4.149 1.00 0.00 C ATOM 1329 OE1 GLN A 89 20.576 -8.254 -3.630 1.00 0.00 O ATOM 1330 NE2 GLN A 89 19.357 -8.815 -5.402 1.00 0.00 N ATOM 0 H GLN A 89 15.278 -7.250 -4.281 1.00 0.00 H new ATOM 0 HA GLN A 89 16.557 -6.650 -1.993 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.206 -6.937 -4.895 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.411 -6.043 -3.989 1.00 0.00 H new ATOM 0 HG2 GLN A 89 18.410 -8.006 -2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.471 -8.891 -3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.433 -8.941 -5.814 1.00 0.00 H new ATOM 0 HE22 GLN A 89 20.193 -8.999 -5.957 1.00 0.00 H new ATOM 1339 N THR A 90 16.365 -3.927 -3.839 1.00 0.00 N ATOM 1340 CA THR A 90 16.588 -2.493 -3.771 1.00 0.00 C ATOM 1341 C THR A 90 15.739 -1.872 -2.641 1.00 0.00 C ATOM 1342 O THR A 90 16.136 -0.872 -2.038 1.00 0.00 O ATOM 1343 CB THR A 90 16.380 -1.887 -5.169 1.00 0.00 C ATOM 1344 OG1 THR A 90 17.037 -0.640 -5.218 1.00 0.00 O ATOM 1345 CG2 THR A 90 14.900 -1.748 -5.520 1.00 0.00 C ATOM 0 H THR A 90 15.928 -4.252 -4.702 1.00 0.00 H new ATOM 0 HA THR A 90 17.617 -2.259 -3.496 1.00 0.00 H new ATOM 0 HB THR A 90 16.805 -2.559 -5.914 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.915 -0.241 -6.105 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.801 -1.316 -6.516 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.428 -2.730 -5.502 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.413 -1.098 -4.793 1.00 0.00 H new ATOM 1353 N TYR A 91 14.619 -2.496 -2.263 1.00 0.00 N ATOM 1354 CA TYR A 91 13.720 -2.081 -1.191 1.00 0.00 C ATOM 1355 C TYR A 91 14.036 -2.770 0.145 1.00 0.00 C ATOM 1356 O TYR A 91 13.288 -2.612 1.111 1.00 0.00 O ATOM 1357 CB TYR A 91 12.265 -2.308 -1.635 1.00 0.00 C ATOM 1358 CG TYR A 91 11.805 -1.240 -2.605 1.00 0.00 C ATOM 1359 CD1 TYR A 91 11.410 0.008 -2.093 1.00 0.00 C ATOM 1360 CD2 TYR A 91 11.837 -1.453 -3.997 1.00 0.00 C ATOM 1361 CE1 TYR A 91 11.058 1.048 -2.966 1.00 0.00 C ATOM 1362 CE2 TYR A 91 11.485 -0.414 -4.881 1.00 0.00 C ATOM 1363 CZ TYR A 91 11.104 0.843 -4.360 1.00 0.00 C ATOM 1364 OH TYR A 91 10.791 1.889 -5.165 1.00 0.00 O ATOM 0 H TYR A 91 14.302 -3.349 -2.723 1.00 0.00 H new ATOM 0 HA TYR A 91 13.870 -1.017 -1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.176 -3.288 -2.103 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.614 -2.311 -0.761 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.377 0.167 -1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 91 12.132 -2.416 -4.388 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.752 2.005 -2.570 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.506 -0.577 -5.948 1.00 0.00 H new ATOM 0 HH TYR A 91 10.894 1.623 -6.102 1.00 0.00 H new ATOM 1374 N ALA A 92 15.154 -3.494 0.267 1.00 0.00 N ATOM 1375 CA ALA A 92 15.479 -4.290 1.442 1.00 0.00 C ATOM 1376 C ALA A 92 15.738 -3.420 2.676 1.00 0.00 C ATOM 1377 O ALA A 92 15.857 -3.960 3.776 1.00 0.00 O ATOM 1378 CB ALA A 92 16.673 -5.203 1.131 1.00 0.00 C ATOM 0 H ALA A 92 15.865 -3.540 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 92 14.616 -4.910 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.915 -5.798 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.419 -5.866 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.535 -4.594 0.856 1.00 0.00 H new ATOM 1384 N ALA A 93 15.827 -2.089 2.538 1.00 0.00 N ATOM 1385 CA ALA A 93 15.926 -1.208 3.691 1.00 0.00 C ATOM 1386 C ALA A 93 14.590 -1.009 4.427 1.00 0.00 C ATOM 1387 O ALA A 93 14.612 -0.580 5.584 1.00 0.00 O ATOM 1388 CB ALA A 93 16.507 0.152 3.296 1.00 0.00 C ATOM 0 H ALA A 93 15.832 -1.608 1.638 1.00 0.00 H new ATOM 0 HA ALA A 93 16.602 -1.708 4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.570 0.791 4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.503 0.014 2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.862 0.621 2.553 1.00 0.00 H new ATOM 1394 N TRP A 94 13.441 -1.298 3.802 1.00 0.00 N ATOM 1395 CA TRP A 94 12.125 -0.976 4.364 1.00 0.00 C ATOM 1396 C TRP A 94 11.326 -2.227 4.750 1.00 0.00 C ATOM 1397 O TRP A 94 10.223 -2.107 5.279 1.00 0.00 O ATOM 1398 CB TRP A 94 11.316 -0.107 3.384 1.00 0.00 C ATOM 1399 CG TRP A 94 11.855 1.258 3.055 1.00 0.00 C ATOM 1400 CD1 TRP A 94 11.470 2.425 3.623 1.00 0.00 C ATOM 1401 CD2 TRP A 94 12.862 1.625 2.064 1.00 0.00 C ATOM 1402 NE1 TRP A 94 12.188 3.473 3.079 1.00 0.00 N ATOM 1403 CE2 TRP A 94 13.108 3.026 2.152 1.00 0.00 C ATOM 1404 CE3 TRP A 94 13.594 0.907 1.098 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 14.103 3.656 1.387 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 14.595 1.525 0.325 1.00 0.00 C ATOM 1407 CH2 TRP A 94 14.882 2.889 0.504 1.00 0.00 C ATOM 0 H TRP A 94 13.399 -1.761 2.894 1.00 0.00 H new ATOM 0 HA TRP A 94 12.303 -0.414 5.281 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.212 -0.661 2.451 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.314 0.018 3.794 1.00 0.00 H new ATOM 0 HD1 TRP A 94 10.714 2.523 4.388 1.00 0.00 H new ATOM 0 HE1 TRP A 94 12.055 4.453 3.331 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.382 -0.141 0.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.268 4.720 1.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 15.143 0.950 -0.407 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.698 3.346 -0.035 1.00 0.00 H new ATOM 1418 N ILE A 95 11.836 -3.426 4.470 1.00 0.00 N ATOM 1419 CA ILE A 95 11.148 -4.682 4.757 1.00 0.00 C ATOM 1420 C ILE A 95 11.491 -5.067 6.200 1.00 0.00 C ATOM 1421 O ILE A 95 12.660 -5.011 6.583 1.00 0.00 O ATOM 1422 CB ILE A 95 11.553 -5.760 3.721 1.00 0.00 C ATOM 1423 CG1 ILE A 95 11.314 -5.286 2.264 1.00 0.00 C ATOM 1424 CG2 ILE A 95 10.759 -7.057 3.949 1.00 0.00 C ATOM 1425 CD1 ILE A 95 11.990 -6.170 1.210 1.00 0.00 C ATOM 0 H ILE A 95 12.749 -3.553 4.033 1.00 0.00 H new ATOM 0 HA ILE A 95 10.066 -4.583 4.671 1.00 0.00 H new ATOM 0 HB ILE A 95 12.619 -5.941 3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.242 -5.261 2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 95 11.681 -4.265 2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 95 11.058 -7.801 3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.962 -7.437 4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 95 9.693 -6.854 3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.779 -5.777 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 95 13.067 -6.176 1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.606 -7.187 1.287 1.00 0.00 H new ATOM 1437 N GLN A 96 10.493 -5.469 6.991 1.00 0.00 N ATOM 1438 CA GLN A 96 10.678 -6.000 8.338 1.00 0.00 C ATOM 1439 C GLN A 96 9.686 -7.139 8.623 1.00 0.00 C ATOM 1440 O GLN A 96 8.645 -7.217 7.961 1.00 0.00 O ATOM 1441 CB GLN A 96 10.545 -4.881 9.390 1.00 0.00 C ATOM 1442 CG GLN A 96 9.388 -3.882 9.211 1.00 0.00 C ATOM 1443 CD GLN A 96 8.936 -3.294 10.552 1.00 0.00 C ATOM 1444 OE1 GLN A 96 7.746 -3.178 10.840 1.00 0.00 O ATOM 1445 NE2 GLN A 96 9.841 -2.901 11.422 1.00 0.00 N ATOM 0 H GLN A 96 9.515 -5.432 6.704 1.00 0.00 H new ATOM 0 HA GLN A 96 11.686 -6.409 8.403 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.439 -5.348 10.369 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.478 -4.318 9.404 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.702 -3.076 8.547 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.547 -4.381 8.730 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.833 -2.989 11.201 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.551 -2.508 12.317 1.00 0.00 H new ATOM 1454 N PRO A 97 9.969 -7.997 9.622 1.00 0.00 N ATOM 1455 CA PRO A 97 9.044 -9.037 10.057 1.00 0.00 C ATOM 1456 C PRO A 97 7.761 -8.447 10.669 1.00 0.00 C ATOM 1457 O PRO A 97 7.720 -7.272 11.056 1.00 0.00 O ATOM 1458 CB PRO A 97 9.819 -9.892 11.066 1.00 0.00 C ATOM 1459 CG PRO A 97 10.894 -8.948 11.601 1.00 0.00 C ATOM 1460 CD PRO A 97 11.197 -8.044 10.407 1.00 0.00 C ATOM 0 HA PRO A 97 8.703 -9.637 9.213 1.00 0.00 H new ATOM 0 HB2 PRO A 97 9.171 -10.253 11.865 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.258 -10.769 10.592 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.537 -8.376 12.457 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.780 -9.492 11.928 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.489 -7.047 10.736 1.00 0.00 H new ATOM 0 HD3 PRO A 97 12.023 -8.440 9.817 1.00 0.00 H new ATOM 1468 N MET A 98 6.728 -9.278 10.795 1.00 0.00 N ATOM 1469 CA MET A 98 5.440 -8.972 11.412 1.00 0.00 C ATOM 1470 C MET A 98 5.489 -9.138 12.935 1.00 0.00 C ATOM 1471 O MET A 98 6.544 -9.316 13.551 1.00 0.00 O ATOM 1472 CB MET A 98 4.346 -9.872 10.790 1.00 0.00 C ATOM 1473 CG MET A 98 3.996 -9.434 9.375 1.00 0.00 C ATOM 1474 SD MET A 98 2.235 -9.286 8.986 1.00 0.00 S ATOM 1475 CE MET A 98 2.323 -9.598 7.207 1.00 0.00 C ATOM 0 H MET A 98 6.770 -10.237 10.450 1.00 0.00 H new ATOM 0 HA MET A 98 5.200 -7.927 11.216 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.690 -10.906 10.777 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.452 -9.841 11.412 1.00 0.00 H new ATOM 0 HG2 MET A 98 4.468 -8.469 9.190 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.440 -10.145 8.678 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.402 -9.260 6.732 1.00 0.00 H new ATOM 0 HE2 MET A 98 3.169 -9.057 6.784 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.451 -10.666 7.031 1.00 0.00 H new