USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 439 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -76:sc= -0.463 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -0.0639 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -71:sc= 0.182 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0391 K(o=-0.039,f=-1.4!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00625 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.088 X(o=-0.088,f=-0.13) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0652 K(o=-0.065,f=-0.95) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.78 K(o=-1.8,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 89 N LEU A 7 3.942 7.439 0.011 1.00 0.00 N ATOM 90 CA LEU A 7 3.307 6.303 -0.646 1.00 0.00 C ATOM 91 C LEU A 7 4.202 5.070 -0.572 1.00 0.00 C ATOM 92 O LEU A 7 3.771 4.000 -0.143 1.00 0.00 O ATOM 93 CB LEU A 7 3.001 6.643 -2.109 1.00 0.00 C ATOM 94 CG LEU A 7 2.572 5.462 -2.986 1.00 0.00 C ATOM 95 CD1 LEU A 7 3.783 4.654 -3.428 1.00 0.00 C ATOM 96 CD2 LEU A 7 1.577 4.577 -2.252 1.00 0.00 C ATOM 0 HA LEU A 7 2.373 6.084 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.212 7.395 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.888 7.098 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 7 2.082 5.860 -3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.457 3.820 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.457 5.292 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.304 4.271 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.287 3.745 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.036 4.190 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.694 5.160 -1.992 1.00 0.00 H new ATOM 108 N VAL A 8 5.453 5.233 -0.989 1.00 0.00 N ATOM 109 CA VAL A 8 6.412 4.137 -0.974 1.00 0.00 C ATOM 110 C VAL A 8 6.780 3.748 0.454 1.00 0.00 C ATOM 111 O VAL A 8 6.932 2.566 0.766 1.00 0.00 O ATOM 112 CB VAL A 8 7.694 4.504 -1.741 1.00 0.00 C ATOM 113 CG1 VAL A 8 8.627 3.307 -1.825 1.00 0.00 C ATOM 114 CG2 VAL A 8 7.354 5.025 -3.130 1.00 0.00 C ATOM 0 H VAL A 8 5.826 6.115 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 8 5.933 3.290 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 8 8.208 5.297 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.528 3.586 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.897 2.985 -0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.126 2.491 -2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.273 5.280 -3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.817 4.256 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.728 5.913 -3.042 1.00 0.00 H new ATOM 124 N SER A 9 6.921 4.748 1.318 1.00 0.00 N ATOM 125 CA SER A 9 7.271 4.508 2.713 1.00 0.00 C ATOM 126 C SER A 9 6.229 3.627 3.391 1.00 0.00 C ATOM 127 O SER A 9 6.557 2.814 4.256 1.00 0.00 O ATOM 128 CB SER A 9 7.397 5.836 3.463 1.00 0.00 C ATOM 129 OG SER A 9 6.215 6.608 3.340 1.00 0.00 O ATOM 0 H SER A 9 6.798 5.731 1.077 1.00 0.00 H new ATOM 0 HA SER A 9 8.230 3.990 2.738 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.601 5.644 4.516 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.244 6.399 3.072 1.00 0.00 H new ATOM 0 HG SER A 9 6.322 7.450 3.830 1.00 0.00 H new ATOM 135 N PHE A 10 4.971 3.792 2.992 1.00 0.00 N ATOM 136 CA PHE A 10 3.882 3.007 3.560 1.00 0.00 C ATOM 137 C PHE A 10 3.716 1.690 2.814 1.00 0.00 C ATOM 138 O PHE A 10 3.548 0.635 3.426 1.00 0.00 O ATOM 139 CB PHE A 10 2.575 3.801 3.514 1.00 0.00 C ATOM 140 CG PHE A 10 2.038 4.155 4.872 1.00 0.00 C ATOM 141 CD1 PHE A 10 1.183 3.294 5.540 1.00 0.00 C ATOM 142 CD2 PHE A 10 2.387 5.351 5.478 1.00 0.00 C ATOM 143 CE1 PHE A 10 0.686 3.618 6.789 1.00 0.00 C ATOM 144 CE2 PHE A 10 1.894 5.681 6.726 1.00 0.00 C ATOM 145 CZ PHE A 10 1.042 4.814 7.382 1.00 0.00 C ATOM 0 H PHE A 10 4.682 4.461 2.279 1.00 0.00 H new ATOM 0 HA PHE A 10 4.129 2.787 4.599 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.736 4.717 2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.826 3.220 2.976 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.901 2.358 5.080 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.052 6.033 4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.021 2.938 7.300 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.175 6.616 7.188 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.655 5.071 8.357 1.00 0.00 H new ATOM 155 N LEU A 11 3.775 1.754 1.485 1.00 0.00 N ATOM 156 CA LEU A 11 3.639 0.563 0.653 1.00 0.00 C ATOM 157 C LEU A 11 4.535 -0.559 1.161 1.00 0.00 C ATOM 158 O LEU A 11 4.076 -1.676 1.403 1.00 0.00 O ATOM 159 CB LEU A 11 3.998 0.892 -0.796 1.00 0.00 C ATOM 160 CG LEU A 11 3.445 -0.083 -1.839 1.00 0.00 C ATOM 161 CD1 LEU A 11 4.187 -1.409 -1.775 1.00 0.00 C ATOM 162 CD2 LEU A 11 1.953 -0.292 -1.634 1.00 0.00 C ATOM 0 H LEU A 11 3.916 2.619 0.963 1.00 0.00 H new ATOM 0 HA LEU A 11 2.602 0.230 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.632 1.893 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.084 0.921 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 11 3.598 0.347 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.781 -2.090 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.246 -1.243 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.067 -1.846 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.577 -0.988 -2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.776 -0.700 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.435 0.662 -1.732 1.00 0.00 H new ATOM 174 N THR A 12 5.811 -0.247 1.327 1.00 0.00 N ATOM 175 CA THR A 12 6.781 -1.216 1.819 1.00 0.00 C ATOM 176 C THR A 12 6.619 -1.423 3.321 1.00 0.00 C ATOM 177 O THR A 12 6.518 -2.556 3.796 1.00 0.00 O ATOM 178 CB THR A 12 8.202 -0.743 1.506 1.00 0.00 C ATOM 179 OG1 THR A 12 8.414 -0.687 0.106 1.00 0.00 O ATOM 180 CG2 THR A 12 9.274 -1.630 2.098 1.00 0.00 C ATOM 0 H THR A 12 6.201 0.674 1.127 1.00 0.00 H new ATOM 0 HA THR A 12 6.603 -2.167 1.317 1.00 0.00 H new ATOM 0 HB THR A 12 8.283 0.245 1.958 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.327 -0.381 -0.075 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.257 -1.237 1.837 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.169 -1.654 3.183 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.171 -2.640 1.701 1.00 0.00 H new ATOM 188 N GLY A 13 6.585 -0.317 4.062 1.00 0.00 N ATOM 189 CA GLY A 13 6.426 -0.392 5.504 1.00 0.00 C ATOM 190 C GLY A 13 5.234 -1.232 5.908 1.00 0.00 C ATOM 191 O GLY A 13 5.184 -1.764 7.017 1.00 0.00 O ATOM 0 H GLY A 13 6.665 0.629 3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.330 -0.812 5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.312 0.614 5.907 1.00 0.00 H new ATOM 195 N LEU A 14 4.273 -1.355 5.000 1.00 0.00 N ATOM 196 CA LEU A 14 3.080 -2.148 5.246 1.00 0.00 C ATOM 197 C LEU A 14 3.437 -3.599 5.559 1.00 0.00 C ATOM 198 O LEU A 14 2.627 -4.340 6.116 1.00 0.00 O ATOM 199 CB LEU A 14 2.174 -2.089 4.014 1.00 0.00 C ATOM 200 CG LEU A 14 0.688 -1.863 4.293 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.492 -0.768 5.331 1.00 0.00 C ATOM 202 CD2 LEU A 14 -0.035 -1.510 3.004 1.00 0.00 C ATOM 0 H LEU A 14 4.300 -0.912 4.082 1.00 0.00 H new ATOM 0 HA LEU A 14 2.560 -1.736 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.528 -1.289 3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.283 -3.022 3.461 1.00 0.00 H new ATOM 0 HG LEU A 14 0.267 -2.785 4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.573 -0.625 5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.983 -1.056 6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.925 0.163 4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.093 -1.351 3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.393 -0.600 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.075 -2.326 2.290 1.00 0.00 H new ATOM 214 N GLY A 15 4.654 -3.999 5.196 1.00 0.00 N ATOM 215 CA GLY A 15 5.089 -5.359 5.435 1.00 0.00 C ATOM 216 C GLY A 15 5.443 -6.092 4.153 1.00 0.00 C ATOM 217 O GLY A 15 5.614 -7.310 4.158 1.00 0.00 O ATOM 0 H GLY A 15 5.345 -3.402 4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.957 -5.349 6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.300 -5.903 5.954 1.00 0.00 H new ATOM 221 N CYS A 16 5.553 -5.350 3.051 1.00 0.00 N ATOM 222 CA CYS A 16 5.884 -5.950 1.764 1.00 0.00 C ATOM 223 C CYS A 16 6.996 -5.173 1.065 1.00 0.00 C ATOM 224 O CYS A 16 6.738 -4.403 0.139 1.00 0.00 O ATOM 225 CB CYS A 16 4.645 -6.003 0.869 1.00 0.00 C ATOM 226 SG CYS A 16 3.112 -6.388 1.749 1.00 0.00 S ATOM 0 H CYS A 16 5.418 -4.339 3.026 1.00 0.00 H new ATOM 0 HA CYS A 16 6.237 -6.965 1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.531 -5.042 0.367 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.803 -6.751 0.092 1.00 0.00 H new ATOM 0 HG CYS A 16 3.080 -7.657 2.030 1.00 0.00 H new ATOM 232 N PRO A 17 8.254 -5.371 1.493 1.00 0.00 N ATOM 233 CA PRO A 17 9.406 -4.688 0.904 1.00 0.00 C ATOM 234 C PRO A 17 9.873 -5.327 -0.402 1.00 0.00 C ATOM 235 O PRO A 17 10.885 -4.919 -0.972 1.00 0.00 O ATOM 236 CB PRO A 17 10.476 -4.837 1.983 1.00 0.00 C ATOM 237 CG PRO A 17 10.153 -6.133 2.644 1.00 0.00 C ATOM 238 CD PRO A 17 8.652 -6.273 2.594 1.00 0.00 C ATOM 0 HA PRO A 17 9.176 -3.656 0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.477 -4.849 1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.444 -4.010 2.692 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.638 -6.963 2.130 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.510 -6.144 3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.352 -7.302 2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.191 -5.981 3.538 1.00 0.00 H new ATOM 246 N ASN A 18 9.138 -6.330 -0.877 1.00 0.00 N ATOM 247 CA ASN A 18 9.490 -7.011 -2.116 1.00 0.00 C ATOM 248 C ASN A 18 8.268 -7.197 -3.010 1.00 0.00 C ATOM 249 O ASN A 18 8.263 -8.050 -3.898 1.00 0.00 O ATOM 250 CB ASN A 18 10.124 -8.370 -1.812 1.00 0.00 C ATOM 251 CG ASN A 18 11.448 -8.562 -2.526 1.00 0.00 C ATOM 252 OD1 ASN A 18 11.485 -8.863 -3.719 1.00 0.00 O ATOM 253 ND2 ASN A 18 12.544 -8.389 -1.796 1.00 0.00 N ATOM 0 H ASN A 18 8.297 -6.687 -0.422 1.00 0.00 H new ATOM 0 HA ASN A 18 10.210 -6.389 -2.647 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.277 -8.464 -0.737 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.437 -9.163 -2.107 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.464 -8.505 -2.221 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.466 -8.140 -0.810 1.00 0.00 H new ATOM 260 N CYS A 19 7.234 -6.395 -2.774 1.00 0.00 N ATOM 261 CA CYS A 19 6.010 -6.478 -3.562 1.00 0.00 C ATOM 262 C CYS A 19 5.801 -5.209 -4.381 1.00 0.00 C ATOM 263 O CYS A 19 5.188 -5.243 -5.448 1.00 0.00 O ATOM 264 CB CYS A 19 4.803 -6.714 -2.652 1.00 0.00 C ATOM 265 SG CYS A 19 4.527 -8.450 -2.231 1.00 0.00 S ATOM 0 H CYS A 19 7.220 -5.682 -2.045 1.00 0.00 H new ATOM 0 HA CYS A 19 6.109 -7.320 -4.247 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.938 -6.145 -1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.911 -6.323 -3.141 1.00 0.00 H new ATOM 0 HG CYS A 19 3.487 -8.549 -1.457 1.00 0.00 H new ATOM 271 N ILE A 20 6.318 -4.090 -3.881 1.00 0.00 N ATOM 272 CA ILE A 20 6.187 -2.811 -4.571 1.00 0.00 C ATOM 273 C ILE A 20 6.547 -2.945 -6.048 1.00 0.00 C ATOM 274 O ILE A 20 5.851 -2.420 -6.915 1.00 0.00 O ATOM 275 CB ILE A 20 7.080 -1.732 -3.934 1.00 0.00 C ATOM 276 CG1 ILE A 20 6.918 -0.402 -4.675 1.00 0.00 C ATOM 277 CG2 ILE A 20 8.532 -2.178 -3.949 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.845 0.801 -3.761 1.00 0.00 C ATOM 0 H ILE A 20 6.831 -4.043 -3.001 1.00 0.00 H new ATOM 0 HA ILE A 20 5.144 -2.508 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 20 6.772 -1.588 -2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.755 -0.275 -5.361 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.013 -0.442 -5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.154 -1.406 -3.496 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.634 -3.105 -3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.851 -2.343 -4.978 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.731 1.705 -4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.991 0.698 -3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.761 0.868 -3.174 1.00 0.00 H new ATOM 290 N GLU A 21 7.637 -3.652 -6.327 1.00 0.00 N ATOM 291 CA GLU A 21 8.083 -3.857 -7.701 1.00 0.00 C ATOM 292 C GLU A 21 6.934 -4.347 -8.576 1.00 0.00 C ATOM 293 O GLU A 21 6.738 -3.862 -9.691 1.00 0.00 O ATOM 294 CB GLU A 21 9.234 -4.863 -7.739 1.00 0.00 C ATOM 295 CG GLU A 21 10.471 -4.399 -6.988 1.00 0.00 C ATOM 296 CD GLU A 21 11.634 -4.093 -7.910 1.00 0.00 C ATOM 297 OE1 GLU A 21 12.414 -5.023 -8.210 1.00 0.00 O ATOM 298 OE2 GLU A 21 11.768 -2.926 -8.333 1.00 0.00 O ATOM 0 H GLU A 21 8.227 -4.092 -5.621 1.00 0.00 H new ATOM 0 HA GLU A 21 8.432 -2.901 -8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.894 -5.808 -7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.501 -5.058 -8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.227 -3.508 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.769 -5.169 -6.277 1.00 0.00 H new ATOM 305 N TYR A 22 6.171 -5.305 -8.058 1.00 0.00 N ATOM 306 CA TYR A 22 5.028 -5.847 -8.783 1.00 0.00 C ATOM 307 C TYR A 22 3.868 -4.858 -8.770 1.00 0.00 C ATOM 308 O TYR A 22 3.099 -4.773 -9.727 1.00 0.00 O ATOM 309 CB TYR A 22 4.589 -7.176 -8.167 1.00 0.00 C ATOM 310 CG TYR A 22 5.689 -8.211 -8.117 1.00 0.00 C ATOM 311 CD1 TYR A 22 6.655 -8.178 -7.120 1.00 0.00 C ATOM 312 CD2 TYR A 22 5.767 -9.216 -9.073 1.00 0.00 C ATOM 313 CE1 TYR A 22 7.665 -9.119 -7.073 1.00 0.00 C ATOM 314 CE2 TYR A 22 6.773 -10.161 -9.033 1.00 0.00 C ATOM 315 CZ TYR A 22 7.719 -10.109 -8.032 1.00 0.00 C ATOM 316 OH TYR A 22 8.724 -11.049 -7.988 1.00 0.00 O ATOM 0 H TYR A 22 6.324 -5.721 -7.139 1.00 0.00 H new ATOM 0 HA TYR A 22 5.328 -6.019 -9.817 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.225 -6.996 -7.156 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.752 -7.574 -8.741 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.616 -7.403 -6.368 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.029 -9.259 -9.860 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.408 -9.080 -6.290 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.818 -10.937 -9.783 1.00 0.00 H new ATOM 0 HH TYR A 22 8.618 -11.676 -8.734 1.00 0.00 H new ATOM 326 N PHE A 23 3.758 -4.103 -7.682 1.00 0.00 N ATOM 327 CA PHE A 23 2.709 -3.103 -7.547 1.00 0.00 C ATOM 328 C PHE A 23 2.947 -1.944 -8.507 1.00 0.00 C ATOM 329 O PHE A 23 2.056 -1.560 -9.266 1.00 0.00 O ATOM 330 CB PHE A 23 2.658 -2.585 -6.109 1.00 0.00 C ATOM 331 CG PHE A 23 1.885 -3.473 -5.177 1.00 0.00 C ATOM 332 CD1 PHE A 23 2.098 -4.841 -5.169 1.00 0.00 C ATOM 333 CD2 PHE A 23 0.943 -2.939 -4.315 1.00 0.00 C ATOM 334 CE1 PHE A 23 1.385 -5.662 -4.317 1.00 0.00 C ATOM 335 CE2 PHE A 23 0.228 -3.754 -3.458 1.00 0.00 C ATOM 336 CZ PHE A 23 0.449 -5.117 -3.459 1.00 0.00 C ATOM 0 H PHE A 23 4.385 -4.166 -6.880 1.00 0.00 H new ATOM 0 HA PHE A 23 1.755 -3.569 -7.793 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.676 -2.477 -5.734 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.210 -1.591 -6.105 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.830 -5.271 -5.837 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.765 -1.874 -4.312 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.559 -6.728 -4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.503 -3.325 -2.788 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.109 -5.756 -2.790 1.00 0.00 H new ATOM 346 N THR A 24 4.159 -1.398 -8.478 1.00 0.00 N ATOM 347 CA THR A 24 4.519 -0.283 -9.347 1.00 0.00 C ATOM 348 C THR A 24 4.336 -0.650 -10.817 1.00 0.00 C ATOM 349 O THR A 24 4.086 0.217 -11.654 1.00 0.00 O ATOM 350 CB THR A 24 5.966 0.141 -9.097 1.00 0.00 C ATOM 351 OG1 THR A 24 6.856 -0.921 -9.388 1.00 0.00 O ATOM 352 CG2 THR A 24 6.222 0.581 -7.674 1.00 0.00 C ATOM 0 H THR A 24 4.909 -1.710 -7.861 1.00 0.00 H new ATOM 0 HA THR A 24 3.855 0.549 -9.114 1.00 0.00 H new ATOM 0 HB THR A 24 6.138 0.991 -9.758 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.774 -1.614 -8.700 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.268 0.869 -7.565 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.585 1.433 -7.436 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.998 -0.241 -6.993 1.00 0.00 H new ATOM 360 N SER A 25 4.466 -1.937 -11.124 1.00 0.00 N ATOM 361 CA SER A 25 4.327 -2.417 -12.496 1.00 0.00 C ATOM 362 C SER A 25 3.081 -1.836 -13.162 1.00 0.00 C ATOM 363 O SER A 25 3.034 -1.678 -14.382 1.00 0.00 O ATOM 364 CB SER A 25 4.265 -3.945 -12.518 1.00 0.00 C ATOM 365 OG SER A 25 3.924 -4.426 -13.808 1.00 0.00 O ATOM 0 H SER A 25 4.668 -2.667 -10.441 1.00 0.00 H new ATOM 0 HA SER A 25 5.200 -2.084 -13.057 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.229 -4.355 -12.217 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.530 -4.292 -11.792 1.00 0.00 H new ATOM 0 HG SER A 25 3.893 -5.405 -13.794 1.00 0.00 H new ATOM 371 N GLN A 26 2.077 -1.516 -12.352 1.00 0.00 N ATOM 372 CA GLN A 26 0.834 -0.949 -12.865 1.00 0.00 C ATOM 373 C GLN A 26 0.796 0.560 -12.643 1.00 0.00 C ATOM 374 O GLN A 26 0.626 1.334 -13.585 1.00 0.00 O ATOM 375 CB GLN A 26 -0.378 -1.596 -12.186 1.00 0.00 C ATOM 376 CG GLN A 26 -0.145 -3.031 -11.738 1.00 0.00 C ATOM 377 CD GLN A 26 -0.186 -4.016 -12.888 1.00 0.00 C ATOM 378 OE1 GLN A 26 -0.637 -3.690 -13.986 1.00 0.00 O ATOM 379 NE2 GLN A 26 0.285 -5.232 -12.640 1.00 0.00 N ATOM 0 H GLN A 26 2.099 -1.639 -11.340 1.00 0.00 H new ATOM 0 HA GLN A 26 0.793 -1.152 -13.935 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.659 -0.997 -11.320 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.222 -1.574 -12.875 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.822 -3.100 -11.241 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.902 -3.305 -11.003 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.650 -5.459 -11.715 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.282 -5.940 -13.375 1.00 0.00 H new ATOM 388 N GLY A 27 0.950 0.967 -11.387 1.00 0.00 N ATOM 389 CA GLY A 27 0.923 2.378 -11.052 1.00 0.00 C ATOM 390 C GLY A 27 0.706 2.608 -9.569 1.00 0.00 C ATOM 391 O GLY A 27 -0.113 3.438 -9.176 1.00 0.00 O ATOM 0 H GLY A 27 1.093 0.342 -10.594 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.862 2.841 -11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.129 2.869 -11.615 1.00 0.00 H new ATOM 395 N LEU A 28 1.448 1.875 -8.748 1.00 0.00 N ATOM 396 CA LEU A 28 1.326 1.984 -7.301 1.00 0.00 C ATOM 397 C LEU A 28 2.427 2.866 -6.721 1.00 0.00 C ATOM 398 O LEU A 28 2.947 2.601 -5.637 1.00 0.00 O ATOM 399 CB LEU A 28 1.373 0.597 -6.660 1.00 0.00 C ATOM 400 CG LEU A 28 0.057 0.128 -6.034 1.00 0.00 C ATOM 401 CD1 LEU A 28 -0.166 0.805 -4.690 1.00 0.00 C ATOM 402 CD2 LEU A 28 -1.108 0.401 -6.974 1.00 0.00 C ATOM 0 H LEU A 28 2.142 1.197 -9.062 1.00 0.00 H new ATOM 0 HA LEU A 28 0.365 2.448 -7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.676 -0.126 -7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.145 0.595 -5.890 1.00 0.00 H new ATOM 0 HG LEU A 28 0.118 -0.948 -5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.106 0.459 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.654 0.556 -4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.206 1.885 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.035 0.061 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.172 1.471 -7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.952 -0.133 -7.911 1.00 0.00 H new ATOM 414 N GLN A 29 2.757 3.935 -7.437 1.00 0.00 N ATOM 415 CA GLN A 29 3.764 4.881 -6.974 1.00 0.00 C ATOM 416 C GLN A 29 3.084 6.090 -6.341 1.00 0.00 C ATOM 417 O GLN A 29 3.632 6.724 -5.439 1.00 0.00 O ATOM 418 CB GLN A 29 4.662 5.322 -8.131 1.00 0.00 C ATOM 419 CG GLN A 29 3.913 6.028 -9.249 1.00 0.00 C ATOM 420 CD GLN A 29 4.722 7.142 -9.883 1.00 0.00 C ATOM 421 OE1 GLN A 29 5.835 6.924 -10.362 1.00 0.00 O ATOM 422 NE2 GLN A 29 4.162 8.347 -9.894 1.00 0.00 N ATOM 0 H GLN A 29 2.342 4.168 -8.339 1.00 0.00 H new ATOM 0 HA GLN A 29 4.388 4.391 -6.226 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.435 5.987 -7.746 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.169 4.448 -8.540 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.641 5.301 -10.014 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.983 6.439 -8.855 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.237 8.483 -9.486 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.657 9.136 -10.311 1.00 0.00 H new ATOM 431 N SER A 30 1.869 6.375 -6.797 1.00 0.00 N ATOM 432 CA SER A 30 1.073 7.464 -6.249 1.00 0.00 C ATOM 433 C SER A 30 -0.115 6.901 -5.483 1.00 0.00 C ATOM 434 O SER A 30 -1.042 6.358 -6.079 1.00 0.00 O ATOM 435 CB SER A 30 0.588 8.390 -7.367 1.00 0.00 C ATOM 436 OG SER A 30 0.413 7.679 -8.581 1.00 0.00 O ATOM 0 H SER A 30 1.412 5.862 -7.551 1.00 0.00 H new ATOM 0 HA SER A 30 1.695 8.044 -5.567 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.354 8.854 -7.075 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.308 9.195 -7.514 1.00 0.00 H new ATOM 0 HG SER A 30 0.101 8.293 -9.278 1.00 0.00 H new ATOM 442 N ILE A 31 -0.069 7.001 -4.155 1.00 0.00 N ATOM 443 CA ILE A 31 -1.132 6.460 -3.307 1.00 0.00 C ATOM 444 C ILE A 31 -2.521 6.777 -3.874 1.00 0.00 C ATOM 445 O ILE A 31 -3.456 5.990 -3.736 1.00 0.00 O ATOM 446 CB ILE A 31 -1.013 6.973 -1.850 1.00 0.00 C ATOM 447 CG1 ILE A 31 -1.656 5.972 -0.894 1.00 0.00 C ATOM 448 CG2 ILE A 31 -1.642 8.350 -1.682 1.00 0.00 C ATOM 449 CD1 ILE A 31 -0.652 5.140 -0.128 1.00 0.00 C ATOM 0 H ILE A 31 0.691 7.450 -3.644 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.009 5.377 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 31 0.047 7.069 -1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.286 6.511 -0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.309 5.308 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.538 8.674 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.140 9.062 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.699 8.301 -1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.179 4.451 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.038 4.574 -0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.014 5.795 0.466 1.00 0.00 H new ATOM 461 N TYR A 32 -2.639 7.938 -4.507 1.00 0.00 N ATOM 462 CA TYR A 32 -3.900 8.355 -5.104 1.00 0.00 C ATOM 463 C TYR A 32 -4.407 7.311 -6.096 1.00 0.00 C ATOM 464 O TYR A 32 -5.596 7.271 -6.415 1.00 0.00 O ATOM 465 CB TYR A 32 -3.728 9.703 -5.808 1.00 0.00 C ATOM 466 CG TYR A 32 -5.030 10.425 -6.069 1.00 0.00 C ATOM 467 CD1 TYR A 32 -5.782 10.151 -7.203 1.00 0.00 C ATOM 468 CD2 TYR A 32 -5.504 11.386 -5.183 1.00 0.00 C ATOM 469 CE1 TYR A 32 -6.973 10.811 -7.448 1.00 0.00 C ATOM 470 CE2 TYR A 32 -6.693 12.050 -5.420 1.00 0.00 C ATOM 471 CZ TYR A 32 -7.423 11.759 -6.554 1.00 0.00 C ATOM 472 OH TYR A 32 -8.607 12.417 -6.794 1.00 0.00 O ATOM 0 H TYR A 32 -1.877 8.606 -4.620 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.636 8.457 -4.307 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.085 10.340 -5.201 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.215 9.544 -6.756 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -5.431 9.410 -7.906 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.934 11.617 -4.295 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.547 10.585 -8.335 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.049 12.793 -4.721 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.782 13.052 -6.068 1.00 0.00 H new ATOM 482 N HIS A 33 -3.501 6.463 -6.578 1.00 0.00 N ATOM 483 CA HIS A 33 -3.860 5.430 -7.543 1.00 0.00 C ATOM 484 C HIS A 33 -4.418 4.184 -6.855 1.00 0.00 C ATOM 485 O HIS A 33 -5.024 3.333 -7.505 1.00 0.00 O ATOM 486 CB HIS A 33 -2.643 5.052 -8.390 1.00 0.00 C ATOM 487 CG HIS A 33 -2.981 4.750 -9.817 1.00 0.00 C ATOM 488 ND1 HIS A 33 -3.602 5.657 -10.650 1.00 0.00 N ATOM 489 CD2 HIS A 33 -2.786 3.633 -10.558 1.00 0.00 C ATOM 490 CE1 HIS A 33 -3.772 5.113 -11.843 1.00 0.00 C ATOM 491 NE2 HIS A 33 -3.286 3.886 -11.811 1.00 0.00 N ATOM 0 H HIS A 33 -2.515 6.472 -6.316 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.640 5.838 -8.186 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.922 5.869 -8.360 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.158 4.182 -7.947 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.324 2.715 -10.225 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.230 5.590 -12.697 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.283 3.231 -12.593 1.00 0.00 H new ATOM 500 N LEU A 34 -4.204 4.070 -5.547 1.00 0.00 N ATOM 501 CA LEU A 34 -4.701 2.920 -4.797 1.00 0.00 C ATOM 502 C LEU A 34 -5.785 3.321 -3.799 1.00 0.00 C ATOM 503 O LEU A 34 -6.200 2.513 -2.968 1.00 0.00 O ATOM 504 CB LEU A 34 -3.556 2.221 -4.066 1.00 0.00 C ATOM 505 CG LEU A 34 -2.410 3.128 -3.602 1.00 0.00 C ATOM 506 CD1 LEU A 34 -1.536 2.401 -2.592 1.00 0.00 C ATOM 507 CD2 LEU A 34 -1.575 3.579 -4.792 1.00 0.00 C ATOM 0 H LEU A 34 -3.694 4.754 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.143 2.231 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.965 1.709 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.145 1.454 -4.723 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.838 4.009 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.727 3.057 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.137 2.118 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.117 1.506 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.766 4.222 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.156 2.707 -5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.204 4.132 -5.490 1.00 0.00 H new ATOM 519 N GLN A 35 -6.251 4.559 -3.894 1.00 0.00 N ATOM 520 CA GLN A 35 -7.289 5.052 -2.998 1.00 0.00 C ATOM 521 C GLN A 35 -8.514 4.146 -3.030 1.00 0.00 C ATOM 522 O GLN A 35 -9.169 3.932 -2.009 1.00 0.00 O ATOM 523 CB GLN A 35 -7.688 6.476 -3.380 1.00 0.00 C ATOM 524 CG GLN A 35 -8.312 7.258 -2.236 1.00 0.00 C ATOM 525 CD GLN A 35 -7.671 8.618 -2.041 1.00 0.00 C ATOM 526 OE1 GLN A 35 -7.803 9.505 -2.883 1.00 0.00 O ATOM 527 NE2 GLN A 35 -6.970 8.787 -0.926 1.00 0.00 N ATOM 0 H GLN A 35 -5.927 5.240 -4.581 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.886 5.053 -1.985 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.806 7.009 -3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.393 6.437 -4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.377 7.387 -2.427 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.221 6.682 -1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.887 8.023 -0.255 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.514 9.681 -0.740 1.00 0.00 H new ATOM 536 N ASN A 36 -8.821 3.616 -4.209 1.00 0.00 N ATOM 537 CA ASN A 36 -9.972 2.738 -4.377 1.00 0.00 C ATOM 538 C ASN A 36 -9.550 1.273 -4.388 1.00 0.00 C ATOM 539 O ASN A 36 -10.355 0.384 -4.109 1.00 0.00 O ATOM 540 CB ASN A 36 -10.712 3.078 -5.671 1.00 0.00 C ATOM 541 CG ASN A 36 -11.816 4.090 -5.456 1.00 0.00 C ATOM 542 OD1 ASN A 36 -12.900 3.755 -4.979 1.00 0.00 O ATOM 543 ND2 ASN A 36 -11.544 5.340 -5.811 1.00 0.00 N ATOM 0 H ASN A 36 -8.288 3.780 -5.063 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.640 2.894 -3.530 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -10.002 3.468 -6.400 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.135 2.167 -6.094 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -12.248 6.069 -5.692 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -10.631 5.572 -6.203 1.00 0.00 H new ATOM 550 N LEU A 37 -8.282 1.024 -4.708 1.00 0.00 N ATOM 551 CA LEU A 37 -7.752 -0.332 -4.753 1.00 0.00 C ATOM 552 C LEU A 37 -8.137 -1.114 -3.503 1.00 0.00 C ATOM 553 O LEU A 37 -8.034 -0.606 -2.385 1.00 0.00 O ATOM 554 CB LEU A 37 -6.229 -0.292 -4.884 1.00 0.00 C ATOM 555 CG LEU A 37 -5.550 -1.627 -5.213 1.00 0.00 C ATOM 556 CD1 LEU A 37 -6.384 -2.446 -6.188 1.00 0.00 C ATOM 557 CD2 LEU A 37 -4.161 -1.385 -5.779 1.00 0.00 C ATOM 0 H LEU A 37 -7.602 1.748 -4.940 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.182 -0.835 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.969 0.427 -5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.813 0.085 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.461 -2.197 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.876 -3.386 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.360 -2.653 -5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.515 -1.886 -7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.690 -2.341 -6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.238 -0.791 -6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.558 -0.850 -5.046 1.00 0.00 H new ATOM 569 N THR A 38 -8.574 -2.351 -3.695 1.00 0.00 N ATOM 570 CA THR A 38 -8.973 -3.197 -2.580 1.00 0.00 C ATOM 571 C THR A 38 -8.360 -4.581 -2.691 1.00 0.00 C ATOM 572 O THR A 38 -7.690 -4.901 -3.673 1.00 0.00 O ATOM 573 CB THR A 38 -10.494 -3.340 -2.538 1.00 0.00 C ATOM 574 OG1 THR A 38 -11.114 -2.358 -3.350 1.00 0.00 O ATOM 575 CG2 THR A 38 -11.066 -3.220 -1.145 1.00 0.00 C ATOM 0 H THR A 38 -8.661 -2.790 -4.612 1.00 0.00 H new ATOM 0 HA THR A 38 -8.616 -2.720 -1.667 1.00 0.00 H new ATOM 0 HB THR A 38 -10.701 -4.343 -2.911 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.087 -2.468 -3.311 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.150 -3.331 -1.186 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.645 -4.000 -0.510 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.817 -2.243 -0.732 1.00 0.00 H new ATOM 583 N ILE A 39 -8.642 -5.418 -1.702 1.00 0.00 N ATOM 584 CA ILE A 39 -8.180 -6.795 -1.725 1.00 0.00 C ATOM 585 C ILE A 39 -8.721 -7.492 -2.961 1.00 0.00 C ATOM 586 O ILE A 39 -8.070 -8.360 -3.543 1.00 0.00 O ATOM 587 CB ILE A 39 -8.630 -7.561 -0.469 1.00 0.00 C ATOM 588 CG1 ILE A 39 -7.980 -8.946 -0.427 1.00 0.00 C ATOM 589 CG2 ILE A 39 -10.146 -7.680 -0.426 1.00 0.00 C ATOM 590 CD1 ILE A 39 -6.548 -8.928 0.057 1.00 0.00 C ATOM 0 H ILE A 39 -9.187 -5.167 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.090 -6.785 -1.746 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.308 -7.001 0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.567 -9.594 0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.012 -9.384 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.443 -8.225 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.589 -6.684 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.494 -8.216 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.152 -9.944 0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.947 -8.307 -0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.510 -8.520 1.067 1.00 0.00 H new ATOM 602 N GLU A 40 -9.915 -7.077 -3.365 1.00 0.00 N ATOM 603 CA GLU A 40 -10.565 -7.632 -4.541 1.00 0.00 C ATOM 604 C GLU A 40 -9.682 -7.474 -5.774 1.00 0.00 C ATOM 605 O GLU A 40 -9.520 -8.408 -6.559 1.00 0.00 O ATOM 606 CB GLU A 40 -11.914 -6.948 -4.776 1.00 0.00 C ATOM 607 CG GLU A 40 -12.877 -7.087 -3.608 1.00 0.00 C ATOM 608 CD GLU A 40 -13.756 -8.318 -3.719 1.00 0.00 C ATOM 609 OE1 GLU A 40 -14.549 -8.397 -4.680 1.00 0.00 O ATOM 610 OE2 GLU A 40 -13.652 -9.203 -2.843 1.00 0.00 O ATOM 0 H GLU A 40 -10.454 -6.353 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.730 -8.695 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.746 -5.889 -4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.375 -7.370 -5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.310 -7.133 -2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.507 -6.199 -3.554 1.00 0.00 H new ATOM 617 N ASP A 41 -9.114 -6.283 -5.938 1.00 0.00 N ATOM 618 CA ASP A 41 -8.243 -6.000 -7.075 1.00 0.00 C ATOM 619 C ASP A 41 -6.813 -6.442 -6.787 1.00 0.00 C ATOM 620 O ASP A 41 -6.053 -6.762 -7.702 1.00 0.00 O ATOM 621 CB ASP A 41 -8.275 -4.508 -7.410 1.00 0.00 C ATOM 622 CG ASP A 41 -9.180 -4.200 -8.586 1.00 0.00 C ATOM 623 OD1 ASP A 41 -10.078 -5.018 -8.874 1.00 0.00 O ATOM 624 OD2 ASP A 41 -8.992 -3.141 -9.218 1.00 0.00 O ATOM 0 H ASP A 41 -9.241 -5.498 -5.299 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.610 -6.563 -7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.614 -3.950 -6.538 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.264 -4.167 -7.633 1.00 0.00 H new ATOM 629 N LEU A 42 -6.454 -6.458 -5.507 1.00 0.00 N ATOM 630 CA LEU A 42 -5.120 -6.870 -5.085 1.00 0.00 C ATOM 631 C LEU A 42 -4.731 -8.194 -5.732 1.00 0.00 C ATOM 632 O LEU A 42 -3.683 -8.305 -6.368 1.00 0.00 O ATOM 633 CB LEU A 42 -5.074 -7.004 -3.558 1.00 0.00 C ATOM 634 CG LEU A 42 -4.806 -5.718 -2.747 1.00 0.00 C ATOM 635 CD1 LEU A 42 -3.434 -5.787 -2.097 1.00 0.00 C ATOM 636 CD2 LEU A 42 -4.923 -4.457 -3.597 1.00 0.00 C ATOM 0 H LEU A 42 -7.072 -6.189 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.408 -6.108 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.025 -7.421 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.302 -7.730 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.574 -5.657 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.255 -4.875 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.391 -6.647 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.671 -5.889 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.725 -3.582 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.198 -4.498 -4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.929 -4.389 -4.011 1.00 0.00 H new ATOM 648 N GLY A 43 -5.593 -9.195 -5.575 1.00 0.00 N ATOM 649 CA GLY A 43 -5.339 -10.495 -6.168 1.00 0.00 C ATOM 650 C GLY A 43 -5.414 -10.473 -7.684 1.00 0.00 C ATOM 651 O GLY A 43 -5.068 -11.456 -8.340 1.00 0.00 O ATOM 0 H GLY A 43 -6.463 -9.128 -5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.352 -10.842 -5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.063 -11.213 -5.783 1.00 0.00 H new ATOM 655 N ALA A 44 -5.869 -9.355 -8.244 1.00 0.00 N ATOM 656 CA ALA A 44 -5.968 -9.211 -9.691 1.00 0.00 C ATOM 657 C ALA A 44 -4.589 -8.994 -10.299 1.00 0.00 C ATOM 658 O ALA A 44 -4.248 -9.582 -11.326 1.00 0.00 O ATOM 659 CB ALA A 44 -6.897 -8.059 -10.046 1.00 0.00 C ATOM 0 H ALA A 44 -6.174 -8.537 -7.717 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.385 -10.130 -10.104 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.961 -7.964 -11.130 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.890 -8.254 -9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.507 -7.133 -9.623 1.00 0.00 H new ATOM 665 N LEU A 45 -3.792 -8.161 -9.639 1.00 0.00 N ATOM 666 CA LEU A 45 -2.440 -7.869 -10.086 1.00 0.00 C ATOM 667 C LEU A 45 -1.678 -9.143 -10.424 1.00 0.00 C ATOM 668 O LEU A 45 -0.776 -9.134 -11.259 1.00 0.00 O ATOM 669 CB LEU A 45 -1.705 -7.110 -8.989 1.00 0.00 C ATOM 670 CG LEU A 45 -2.017 -5.616 -8.922 1.00 0.00 C ATOM 671 CD1 LEU A 45 -3.512 -5.384 -8.762 1.00 0.00 C ATOM 672 CD2 LEU A 45 -1.251 -4.968 -7.781 1.00 0.00 C ATOM 0 H LEU A 45 -4.065 -7.674 -8.785 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.499 -7.264 -10.990 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.951 -7.561 -8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.632 -7.236 -9.136 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.701 -5.156 -9.858 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.711 -4.313 -8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.040 -5.816 -9.612 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.857 -5.857 -7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.483 -3.904 -7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.539 -5.434 -6.839 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.181 -5.101 -7.939 1.00 0.00 H new ATOM 684 N LYS A 46 -2.061 -10.229 -9.760 1.00 0.00 N ATOM 685 CA LYS A 46 -1.429 -11.543 -9.925 1.00 0.00 C ATOM 686 C LYS A 46 -0.228 -11.708 -9.000 1.00 0.00 C ATOM 687 O LYS A 46 0.612 -12.584 -9.203 1.00 0.00 O ATOM 688 CB LYS A 46 -0.992 -11.799 -11.364 1.00 0.00 C ATOM 689 CG LYS A 46 -0.518 -13.218 -11.566 1.00 0.00 C ATOM 690 CD LYS A 46 -1.191 -13.872 -12.760 1.00 0.00 C ATOM 691 CE LYS A 46 -1.330 -15.374 -12.571 1.00 0.00 C ATOM 692 NZ LYS A 46 -0.013 -16.066 -12.621 1.00 0.00 N ATOM 0 H LYS A 46 -2.826 -10.227 -9.085 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.191 -12.276 -9.660 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.824 -11.595 -12.038 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.192 -11.108 -11.628 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.562 -13.223 -11.710 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.723 -13.801 -10.668 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.176 -13.431 -12.910 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.611 -13.670 -13.661 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.810 -15.576 -11.613 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.982 -15.778 -13.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.153 -17.088 -12.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.434 -15.895 -13.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.601 -15.699 -11.866 1.00 0.00 H new ATOM 706 N ILE A 47 -0.156 -10.858 -7.991 1.00 0.00 N ATOM 707 CA ILE A 47 0.926 -10.904 -7.012 1.00 0.00 C ATOM 708 C ILE A 47 0.598 -11.892 -5.895 1.00 0.00 C ATOM 709 O ILE A 47 -0.537 -11.948 -5.421 1.00 0.00 O ATOM 710 CB ILE A 47 1.186 -9.513 -6.395 1.00 0.00 C ATOM 711 CG1 ILE A 47 1.012 -8.417 -7.448 1.00 0.00 C ATOM 712 CG2 ILE A 47 2.577 -9.445 -5.790 1.00 0.00 C ATOM 713 CD1 ILE A 47 1.221 -7.021 -6.909 1.00 0.00 C ATOM 0 H ILE A 47 -0.839 -10.119 -7.824 1.00 0.00 H new ATOM 0 HA ILE A 47 1.824 -11.230 -7.537 1.00 0.00 H new ATOM 0 HB ILE A 47 0.456 -9.352 -5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.715 -8.592 -8.262 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.010 -8.488 -7.872 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.739 -8.456 -5.361 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.671 -10.199 -5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.320 -9.630 -6.565 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.082 -6.297 -7.711 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.500 -6.826 -6.115 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.232 -6.932 -6.511 1.00 0.00 H new ATOM 725 N PRO A 48 1.587 -12.688 -5.454 1.00 0.00 N ATOM 726 CA PRO A 48 1.403 -13.667 -4.383 1.00 0.00 C ATOM 727 C PRO A 48 0.534 -13.125 -3.253 1.00 0.00 C ATOM 728 O PRO A 48 0.567 -11.933 -2.948 1.00 0.00 O ATOM 729 CB PRO A 48 2.832 -13.940 -3.885 1.00 0.00 C ATOM 730 CG PRO A 48 3.739 -13.080 -4.715 1.00 0.00 C ATOM 731 CD PRO A 48 2.966 -12.695 -5.943 1.00 0.00 C ATOM 0 HA PRO A 48 0.890 -14.562 -4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.928 -13.698 -2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.087 -14.994 -3.995 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.048 -12.195 -4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.647 -13.621 -4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.267 -11.719 -6.324 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.107 -13.411 -6.753 1.00 0.00 H new ATOM 739 N GLU A 49 -0.246 -14.008 -2.635 1.00 0.00 N ATOM 740 CA GLU A 49 -1.138 -13.614 -1.549 1.00 0.00 C ATOM 741 C GLU A 49 -0.446 -13.723 -0.193 1.00 0.00 C ATOM 742 O GLU A 49 -1.042 -14.178 0.783 1.00 0.00 O ATOM 743 CB GLU A 49 -2.398 -14.485 -1.560 1.00 0.00 C ATOM 744 CG GLU A 49 -2.157 -15.913 -1.097 1.00 0.00 C ATOM 745 CD GLU A 49 -3.270 -16.856 -1.508 1.00 0.00 C ATOM 746 OE1 GLU A 49 -4.167 -16.423 -2.261 1.00 0.00 O ATOM 747 OE2 GLU A 49 -3.246 -18.027 -1.074 1.00 0.00 O ATOM 0 H GLU A 49 -0.278 -15.001 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.415 -12.572 -1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.151 -14.027 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.807 -14.504 -2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.213 -16.270 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.057 -15.927 -0.012 1.00 0.00 H new ATOM 754 N GLN A 50 0.809 -13.290 -0.133 1.00 0.00 N ATOM 755 CA GLN A 50 1.569 -13.335 1.109 1.00 0.00 C ATOM 756 C GLN A 50 1.024 -12.323 2.114 1.00 0.00 C ATOM 757 O GLN A 50 0.870 -12.629 3.296 1.00 0.00 O ATOM 758 CB GLN A 50 3.049 -13.058 0.835 1.00 0.00 C ATOM 759 CG GLN A 50 3.759 -14.200 0.125 1.00 0.00 C ATOM 760 CD GLN A 50 5.003 -13.747 -0.608 1.00 0.00 C ATOM 761 OE1 GLN A 50 5.034 -12.668 -1.197 1.00 0.00 O ATOM 762 NE2 GLN A 50 6.036 -14.577 -0.575 1.00 0.00 N ATOM 0 H GLN A 50 1.319 -12.905 -0.928 1.00 0.00 H new ATOM 0 HA GLN A 50 1.468 -14.333 1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.136 -12.155 0.230 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.554 -12.858 1.780 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.029 -14.964 0.854 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.073 -14.664 -0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.963 -15.462 -0.073 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.904 -14.331 -1.051 1.00 0.00 H new ATOM 771 N TYR A 51 0.733 -11.119 1.631 1.00 0.00 N ATOM 772 CA TYR A 51 0.196 -10.061 2.482 1.00 0.00 C ATOM 773 C TYR A 51 -0.883 -9.274 1.746 1.00 0.00 C ATOM 774 O TYR A 51 -1.069 -8.082 1.986 1.00 0.00 O ATOM 775 CB TYR A 51 1.313 -9.116 2.936 1.00 0.00 C ATOM 776 CG TYR A 51 2.657 -9.790 3.102 1.00 0.00 C ATOM 777 CD1 TYR A 51 2.991 -10.438 4.286 1.00 0.00 C ATOM 778 CD2 TYR A 51 3.592 -9.779 2.075 1.00 0.00 C ATOM 779 CE1 TYR A 51 4.219 -11.054 4.441 1.00 0.00 C ATOM 780 CE2 TYR A 51 4.821 -10.394 2.221 1.00 0.00 C ATOM 781 CZ TYR A 51 5.130 -11.031 3.405 1.00 0.00 C ATOM 782 OH TYR A 51 6.352 -11.643 3.556 1.00 0.00 O ATOM 0 H TYR A 51 0.860 -10.851 0.655 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.249 -10.528 3.361 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.410 -8.309 2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.027 -8.660 3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.279 -10.461 5.098 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.355 -9.281 1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.464 -11.551 5.368 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.536 -10.376 1.412 1.00 0.00 H new ATOM 0 HH TYR A 51 6.875 -11.536 2.734 1.00 0.00 H new ATOM 792 N ARG A 52 -1.586 -9.951 0.844 1.00 0.00 N ATOM 793 CA ARG A 52 -2.647 -9.322 0.063 1.00 0.00 C ATOM 794 C ARG A 52 -3.592 -8.528 0.961 1.00 0.00 C ATOM 795 O ARG A 52 -3.878 -7.359 0.699 1.00 0.00 O ATOM 796 CB ARG A 52 -3.430 -10.390 -0.702 1.00 0.00 C ATOM 797 CG ARG A 52 -3.762 -10.007 -2.136 1.00 0.00 C ATOM 798 CD ARG A 52 -4.273 -11.204 -2.920 1.00 0.00 C ATOM 799 NE ARG A 52 -5.515 -11.730 -2.360 1.00 0.00 N ATOM 800 CZ ARG A 52 -6.181 -12.756 -2.880 1.00 0.00 C ATOM 801 NH1 ARG A 52 -5.726 -13.363 -3.967 1.00 0.00 N ATOM 802 NH2 ARG A 52 -7.303 -13.175 -2.311 1.00 0.00 N ATOM 0 H ARG A 52 -1.440 -10.939 0.635 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.188 -8.631 -0.644 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.852 -11.314 -0.708 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.358 -10.598 -0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.514 -9.218 -2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.874 -9.603 -2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.436 -10.915 -3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.515 -11.987 -2.922 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.892 -11.285 -1.523 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.863 -13.043 -4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.239 -14.150 -4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.655 -12.710 -1.474 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.814 -13.962 -2.710 1.00 0.00 H new ATOM 816 N MET A 53 -4.075 -9.170 2.021 1.00 0.00 N ATOM 817 CA MET A 53 -4.998 -8.528 2.950 1.00 0.00 C ATOM 818 C MET A 53 -4.360 -7.311 3.611 1.00 0.00 C ATOM 819 O MET A 53 -4.913 -6.211 3.571 1.00 0.00 O ATOM 820 CB MET A 53 -5.450 -9.524 4.020 1.00 0.00 C ATOM 821 CG MET A 53 -6.185 -10.729 3.456 1.00 0.00 C ATOM 822 SD MET A 53 -7.238 -11.538 4.674 1.00 0.00 S ATOM 823 CE MET A 53 -8.760 -11.707 3.747 1.00 0.00 C ATOM 0 H MET A 53 -3.842 -10.134 2.257 1.00 0.00 H new ATOM 0 HA MET A 53 -5.865 -8.192 2.381 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.578 -9.868 4.576 1.00 0.00 H new ATOM 0 HB3 MET A 53 -6.099 -9.012 4.730 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.794 -10.414 2.609 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.458 -11.447 3.077 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.513 -12.192 4.368 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.116 -10.721 3.450 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.579 -12.311 2.858 1.00 0.00 H new ATOM 833 N THR A 54 -3.195 -7.511 4.222 1.00 0.00 N ATOM 834 CA THR A 54 -2.486 -6.424 4.895 1.00 0.00 C ATOM 835 C THR A 54 -2.418 -5.183 4.009 1.00 0.00 C ATOM 836 O THR A 54 -2.735 -4.076 4.447 1.00 0.00 O ATOM 837 CB THR A 54 -1.073 -6.868 5.278 1.00 0.00 C ATOM 838 OG1 THR A 54 -1.119 -7.914 6.232 1.00 0.00 O ATOM 839 CG2 THR A 54 -0.228 -5.752 5.857 1.00 0.00 C ATOM 0 H THR A 54 -2.722 -8.414 4.265 1.00 0.00 H new ATOM 0 HA THR A 54 -3.039 -6.171 5.800 1.00 0.00 H new ATOM 0 HB THR A 54 -0.613 -7.201 4.348 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.206 -8.186 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.761 -6.136 6.106 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.132 -4.951 5.124 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.704 -5.365 6.758 1.00 0.00 H new ATOM 847 N ILE A 55 -2.009 -5.379 2.760 1.00 0.00 N ATOM 848 CA ILE A 55 -1.909 -4.277 1.815 1.00 0.00 C ATOM 849 C ILE A 55 -3.262 -3.597 1.633 1.00 0.00 C ATOM 850 O ILE A 55 -3.350 -2.371 1.586 1.00 0.00 O ATOM 851 CB ILE A 55 -1.386 -4.744 0.446 1.00 0.00 C ATOM 852 CG1 ILE A 55 -0.093 -5.544 0.613 1.00 0.00 C ATOM 853 CG2 ILE A 55 -1.162 -3.549 -0.467 1.00 0.00 C ATOM 854 CD1 ILE A 55 0.044 -6.688 -0.368 1.00 0.00 C ATOM 0 H ILE A 55 -1.743 -6.288 2.381 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.196 -3.565 2.232 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.133 -5.393 -0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.757 -4.872 0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.049 -5.940 1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.792 -3.893 -1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.103 -3.017 -0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.430 -2.879 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.984 -7.210 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.786 -7.382 -0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.033 -6.298 -1.386 1.00 0.00 H new ATOM 866 N TRP A 56 -4.317 -4.403 1.549 1.00 0.00 N ATOM 867 CA TRP A 56 -5.667 -3.878 1.401 1.00 0.00 C ATOM 868 C TRP A 56 -6.044 -3.035 2.620 1.00 0.00 C ATOM 869 O TRP A 56 -6.561 -1.926 2.484 1.00 0.00 O ATOM 870 CB TRP A 56 -6.655 -5.037 1.211 1.00 0.00 C ATOM 871 CG TRP A 56 -8.091 -4.670 1.439 1.00 0.00 C ATOM 872 CD1 TRP A 56 -8.717 -3.518 1.059 1.00 0.00 C ATOM 873 CD2 TRP A 56 -9.073 -5.457 2.115 1.00 0.00 C ATOM 874 NE1 TRP A 56 -10.033 -3.548 1.454 1.00 0.00 N ATOM 875 CE2 TRP A 56 -10.274 -4.727 2.101 1.00 0.00 C ATOM 876 CE3 TRP A 56 -9.055 -6.714 2.724 1.00 0.00 C ATOM 877 CZ2 TRP A 56 -11.444 -5.205 2.674 1.00 0.00 C ATOM 878 CZ3 TRP A 56 -10.221 -7.193 3.295 1.00 0.00 C ATOM 879 CH2 TRP A 56 -11.402 -6.439 3.266 1.00 0.00 C ATOM 0 H TRP A 56 -4.261 -5.421 1.581 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.709 -3.237 0.521 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -6.549 -5.427 0.199 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.386 -5.843 1.893 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.248 -2.704 0.527 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -10.718 -2.810 1.291 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -8.149 -7.301 2.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -12.355 -4.625 2.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -10.221 -8.163 3.770 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -12.297 -6.839 3.720 1.00 0.00 H new ATOM 890 N ARG A 57 -5.771 -3.568 3.808 1.00 0.00 N ATOM 891 CA ARG A 57 -6.073 -2.864 5.052 1.00 0.00 C ATOM 892 C ARG A 57 -5.554 -1.433 5.004 1.00 0.00 C ATOM 893 O ARG A 57 -6.320 -0.477 5.112 1.00 0.00 O ATOM 894 CB ARG A 57 -5.459 -3.604 6.244 1.00 0.00 C ATOM 895 CG ARG A 57 -5.796 -5.085 6.281 1.00 0.00 C ATOM 896 CD ARG A 57 -6.790 -5.404 7.386 1.00 0.00 C ATOM 897 NE ARG A 57 -6.136 -5.936 8.579 1.00 0.00 N ATOM 898 CZ ARG A 57 -5.720 -7.192 8.693 1.00 0.00 C ATOM 899 NH1 ARG A 57 -5.885 -8.040 7.688 1.00 0.00 N ATOM 900 NH2 ARG A 57 -5.136 -7.601 9.811 1.00 0.00 N ATOM 0 H ARG A 57 -5.342 -4.484 3.936 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.156 -2.835 5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.376 -3.487 6.214 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.805 -3.138 7.167 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.210 -5.389 5.319 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.884 -5.663 6.433 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.342 -4.501 7.648 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.518 -6.127 7.020 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.991 -5.307 9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.332 -7.728 6.826 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.565 -9.004 7.777 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.006 -6.950 10.586 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.817 -8.566 9.896 1.00 0.00 H new ATOM 914 N GLY A 58 -4.246 -1.295 4.832 1.00 0.00 N ATOM 915 CA GLY A 58 -3.648 0.019 4.739 1.00 0.00 C ATOM 916 C GLY A 58 -4.252 0.829 3.614 1.00 0.00 C ATOM 917 O GLY A 58 -4.342 2.054 3.699 1.00 0.00 O ATOM 0 H GLY A 58 -3.589 -2.072 4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.784 0.548 5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.574 -0.080 4.581 1.00 0.00 H new ATOM 921 N LEU A 59 -4.686 0.138 2.564 1.00 0.00 N ATOM 922 CA LEU A 59 -5.314 0.800 1.429 1.00 0.00 C ATOM 923 C LEU A 59 -6.694 1.316 1.815 1.00 0.00 C ATOM 924 O LEU A 59 -7.193 2.283 1.242 1.00 0.00 O ATOM 925 CB LEU A 59 -5.404 -0.144 0.236 1.00 0.00 C ATOM 926 CG LEU A 59 -4.626 0.318 -0.994 1.00 0.00 C ATOM 927 CD1 LEU A 59 -3.211 0.717 -0.604 1.00 0.00 C ATOM 928 CD2 LEU A 59 -4.599 -0.775 -2.049 1.00 0.00 C ATOM 0 H LEU A 59 -4.614 -0.876 2.477 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.696 1.650 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.036 -1.125 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.452 -0.266 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.129 1.189 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.668 1.044 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.249 1.531 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.701 -0.138 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.040 -0.428 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.118 -1.664 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.619 -1.019 -2.347 1.00 0.00 H new ATOM 940 N GLN A 60 -7.306 0.679 2.806 1.00 0.00 N ATOM 941 CA GLN A 60 -8.566 1.172 3.336 1.00 0.00 C ATOM 942 C GLN A 60 -8.320 2.485 4.086 1.00 0.00 C ATOM 943 O GLN A 60 -9.257 3.218 4.401 1.00 0.00 O ATOM 944 CB GLN A 60 -9.205 0.140 4.269 1.00 0.00 C ATOM 945 CG GLN A 60 -9.710 -1.101 3.550 1.00 0.00 C ATOM 946 CD GLN A 60 -10.248 -2.149 4.505 1.00 0.00 C ATOM 947 OE1 GLN A 60 -11.276 -1.947 5.152 1.00 0.00 O ATOM 948 NE2 GLN A 60 -9.554 -3.277 4.598 1.00 0.00 N ATOM 0 H GLN A 60 -6.954 -0.168 3.252 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.254 1.348 2.509 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.475 -0.158 5.022 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.036 0.606 4.798 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.495 -0.816 2.849 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.899 -1.532 2.963 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.707 -3.402 4.043 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.867 -4.018 5.224 1.00 0.00 H new ATOM 957 N ASP A 61 -7.040 2.782 4.342 1.00 0.00 N ATOM 958 CA ASP A 61 -6.647 3.994 5.038 1.00 0.00 C ATOM 959 C ASP A 61 -6.595 5.183 4.079 1.00 0.00 C ATOM 960 O ASP A 61 -6.957 6.301 4.446 1.00 0.00 O ATOM 961 CB ASP A 61 -5.280 3.788 5.695 1.00 0.00 C ATOM 962 CG ASP A 61 -5.239 4.300 7.122 1.00 0.00 C ATOM 963 OD1 ASP A 61 -5.677 5.447 7.353 1.00 0.00 O ATOM 964 OD2 ASP A 61 -4.769 3.556 8.008 1.00 0.00 O ATOM 0 H ASP A 61 -6.258 2.186 4.070 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.390 4.211 5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.032 2.727 5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.517 4.298 5.107 1.00 0.00 H new