USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 449 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 13 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 15 SER OG : rot 180:sc= -0.0157 USER MOD Single : A 12 MET CE :methyl 174:sc= -0.462 (180deg=-0.476) USER MOD Single : A 20 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -5.15! C(o=-5.1!,f=-6.1!) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.513 F(o=-1.2,f=-0.51) USER MOD Single : A 30 ASN : amide:sc= 0.889 K(o=0.89,f=-0.32) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -130:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc=0.000242 USER MOD Single : A 41 GLN : amide:sc= -3.15 K(o=-3.1,f=-4.3) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -5:sc= 0.304 USER MOD Single : A 50 SER OG : rot 170:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 164:sc=-0.00572 (180deg=-0.112) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N PRO A 11 -1.527 0.062 -6.206 1.00 0.00 N ATOM 130 CA PRO A 11 -1.040 1.145 -5.347 1.00 0.00 C ATOM 131 C PRO A 11 -1.348 2.523 -5.921 1.00 0.00 C ATOM 132 O PRO A 11 -1.744 2.649 -7.080 1.00 0.00 O ATOM 133 CB PRO A 11 0.472 0.910 -5.303 1.00 0.00 C ATOM 134 CG PRO A 11 0.778 0.177 -6.563 1.00 0.00 C ATOM 135 CD PRO A 11 -0.427 -0.676 -6.849 1.00 0.00 C ATOM 0 HA PRO A 11 -1.516 1.133 -4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.018 1.852 -5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.757 0.327 -4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.968 0.871 -7.382 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.672 -0.436 -6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.593 -0.792 -7.920 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.318 -1.678 -6.433 1.00 0.00 H new ATOM 143 N MET A 12 -1.164 3.555 -5.104 1.00 0.00 N ATOM 144 CA MET A 12 -1.422 4.925 -5.533 1.00 0.00 C ATOM 145 C MET A 12 -0.204 5.511 -6.240 1.00 0.00 C ATOM 146 O MET A 12 0.911 5.011 -6.094 1.00 0.00 O ATOM 147 CB MET A 12 -1.797 5.796 -4.332 1.00 0.00 C ATOM 148 CG MET A 12 -3.158 5.462 -3.741 1.00 0.00 C ATOM 149 SD MET A 12 -4.518 6.190 -4.675 1.00 0.00 S ATOM 150 CE MET A 12 -4.747 7.732 -3.793 1.00 0.00 C ATOM 0 H MET A 12 -0.837 3.469 -4.142 1.00 0.00 H new ATOM 0 HA MET A 12 -2.255 4.909 -6.235 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.037 5.682 -3.559 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.789 6.843 -4.636 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.281 4.379 -3.711 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.199 5.816 -2.711 1.00 0.00 H new ATOM 0 HE1 MET A 12 -5.483 8.344 -4.315 1.00 0.00 H new ATOM 0 HE2 MET A 12 -5.099 7.524 -2.783 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.799 8.267 -3.744 1.00 0.00 H new ATOM 160 N SER A 13 -0.425 6.575 -7.006 1.00 0.00 N ATOM 161 CA SER A 13 0.654 7.226 -7.739 1.00 0.00 C ATOM 162 C SER A 13 0.902 8.633 -7.204 1.00 0.00 C ATOM 163 O SER A 13 -0.019 9.302 -6.735 1.00 0.00 O ATOM 164 CB SER A 13 0.321 7.287 -9.231 1.00 0.00 C ATOM 165 OG SER A 13 1.425 7.765 -9.981 1.00 0.00 O ATOM 0 H SER A 13 -1.341 7.004 -7.135 1.00 0.00 H new ATOM 0 HA SER A 13 1.561 6.638 -7.600 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.039 6.295 -9.585 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.539 7.938 -9.389 1.00 0.00 H new ATOM 0 HG SER A 13 1.187 7.793 -10.931 1.00 0.00 H new ATOM 171 N ALA A 14 2.153 9.076 -7.277 1.00 0.00 N ATOM 172 CA ALA A 14 2.523 10.403 -6.802 1.00 0.00 C ATOM 173 C ALA A 14 1.423 11.417 -7.095 1.00 0.00 C ATOM 174 O ALA A 14 1.107 12.264 -6.260 1.00 0.00 O ATOM 175 CB ALA A 14 3.833 10.844 -7.437 1.00 0.00 C ATOM 0 H ALA A 14 2.928 8.535 -7.661 1.00 0.00 H new ATOM 0 HA ALA A 14 2.655 10.352 -5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.097 11.837 -7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.621 10.139 -7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.720 10.873 -8.521 1.00 0.00 H new ATOM 181 N SER A 15 0.842 11.326 -8.288 1.00 0.00 N ATOM 182 CA SER A 15 -0.220 12.239 -8.692 1.00 0.00 C ATOM 183 C SER A 15 -1.440 12.089 -7.788 1.00 0.00 C ATOM 184 O SER A 15 -1.971 13.074 -7.276 1.00 0.00 O ATOM 185 CB SER A 15 -0.615 11.982 -10.148 1.00 0.00 C ATOM 186 OG SER A 15 -0.960 10.623 -10.350 1.00 0.00 O ATOM 0 H SER A 15 1.089 10.629 -8.991 1.00 0.00 H new ATOM 0 HA SER A 15 0.156 13.258 -8.599 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.458 12.618 -10.417 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.211 12.252 -10.805 1.00 0.00 H new ATOM 0 HG SER A 15 -1.210 10.485 -11.287 1.00 0.00 H new ATOM 192 N ALA A 16 -1.878 10.849 -7.597 1.00 0.00 N ATOM 193 CA ALA A 16 -3.033 10.568 -6.754 1.00 0.00 C ATOM 194 C ALA A 16 -2.809 11.069 -5.331 1.00 0.00 C ATOM 195 O ALA A 16 -3.699 11.667 -4.725 1.00 0.00 O ATOM 196 CB ALA A 16 -3.332 9.076 -6.749 1.00 0.00 C ATOM 0 H ALA A 16 -1.450 10.023 -8.015 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.891 11.098 -7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.197 8.880 -6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.544 8.744 -7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.469 8.533 -6.363 1.00 0.00 H new ATOM 202 N LEU A 17 -1.615 10.821 -4.803 1.00 0.00 N ATOM 203 CA LEU A 17 -1.274 11.247 -3.450 1.00 0.00 C ATOM 204 C LEU A 17 -1.466 12.751 -3.288 1.00 0.00 C ATOM 205 O LEU A 17 -2.254 13.201 -2.455 1.00 0.00 O ATOM 206 CB LEU A 17 0.172 10.868 -3.124 1.00 0.00 C ATOM 207 CG LEU A 17 0.440 9.379 -2.897 1.00 0.00 C ATOM 208 CD1 LEU A 17 1.936 9.106 -2.865 1.00 0.00 C ATOM 209 CD2 LEU A 17 -0.217 8.909 -1.608 1.00 0.00 C ATOM 0 H LEU A 17 -0.867 10.327 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.942 10.737 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.809 11.211 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.477 11.412 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 17 0.006 8.820 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.108 8.042 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.381 9.405 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.392 9.675 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.016 7.848 -1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.187 9.473 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.293 9.069 -1.669 1.00 0.00 H new ATOM 221 N PHE A 18 -0.742 13.525 -4.090 1.00 0.00 N ATOM 222 CA PHE A 18 -0.834 14.979 -4.037 1.00 0.00 C ATOM 223 C PHE A 18 -2.284 15.438 -4.159 1.00 0.00 C ATOM 224 O PHE A 18 -2.747 16.281 -3.391 1.00 0.00 O ATOM 225 CB PHE A 18 0.007 15.606 -5.152 1.00 0.00 C ATOM 226 CG PHE A 18 -0.269 17.067 -5.362 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.324 17.479 -6.160 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.526 18.029 -4.760 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.581 18.823 -6.355 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.274 19.374 -4.951 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.780 19.772 -5.750 1.00 0.00 C ATOM 0 H PHE A 18 -0.085 13.169 -4.784 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.448 15.307 -3.072 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.063 15.474 -4.917 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.182 15.071 -6.083 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.953 16.741 -6.635 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.352 17.724 -4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.407 19.131 -6.979 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.901 20.114 -4.476 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.977 20.823 -5.901 1.00 0.00 H new ATOM 241 N VAL A 19 -2.996 14.876 -5.131 1.00 0.00 N ATOM 242 CA VAL A 19 -4.394 15.226 -5.354 1.00 0.00 C ATOM 243 C VAL A 19 -5.221 15.018 -4.091 1.00 0.00 C ATOM 244 O VAL A 19 -5.818 15.957 -3.566 1.00 0.00 O ATOM 245 CB VAL A 19 -5.005 14.395 -6.498 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.459 14.780 -6.720 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.196 14.570 -7.774 1.00 0.00 C ATOM 0 H VAL A 19 -2.628 14.177 -5.776 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.416 16.280 -5.629 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.973 13.342 -6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.874 14.183 -7.532 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.027 14.597 -5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.520 15.837 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.642 13.976 -8.572 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.194 15.621 -8.062 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.172 14.238 -7.604 1.00 0.00 H new ATOM 257 N GLN A 20 -5.252 13.780 -3.607 1.00 0.00 N ATOM 258 CA GLN A 20 -6.007 13.448 -2.405 1.00 0.00 C ATOM 259 C GLN A 20 -5.638 14.381 -1.256 1.00 0.00 C ATOM 260 O GLN A 20 -6.459 14.662 -0.383 1.00 0.00 O ATOM 261 CB GLN A 20 -5.750 11.995 -2.000 1.00 0.00 C ATOM 262 CG GLN A 20 -6.579 11.539 -0.810 1.00 0.00 C ATOM 263 CD GLN A 20 -5.923 10.409 -0.041 1.00 0.00 C ATOM 264 OE1 GLN A 20 -6.484 9.320 0.082 1.00 0.00 O ATOM 265 NE2 GLN A 20 -4.729 10.663 0.481 1.00 0.00 N ATOM 0 H GLN A 20 -4.763 12.991 -4.029 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.067 13.574 -2.626 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.963 11.347 -2.850 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.693 11.874 -1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.741 12.383 -0.140 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.560 11.215 -1.158 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.302 11.580 0.354 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.239 9.941 1.009 1.00 0.00 H new ATOM 274 N ASP A 21 -4.398 14.858 -1.262 1.00 0.00 N ATOM 275 CA ASP A 21 -3.920 15.760 -0.221 1.00 0.00 C ATOM 276 C ASP A 21 -4.643 17.102 -0.291 1.00 0.00 C ATOM 277 O ASP A 21 -5.144 17.602 0.717 1.00 0.00 O ATOM 278 CB ASP A 21 -2.411 15.972 -0.353 1.00 0.00 C ATOM 279 CG ASP A 21 -1.746 16.243 0.982 1.00 0.00 C ATOM 280 OD1 ASP A 21 -2.123 15.589 1.977 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.848 17.109 1.032 1.00 0.00 O ATOM 0 H ASP A 21 -3.705 14.635 -1.977 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.131 15.304 0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.961 15.089 -0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.222 16.808 -1.026 1.00 0.00 H new ATOM 286 N HIS A 22 -4.692 17.680 -1.487 1.00 0.00 N ATOM 287 CA HIS A 22 -5.353 18.964 -1.688 1.00 0.00 C ATOM 288 C HIS A 22 -6.728 18.774 -2.322 1.00 0.00 C ATOM 289 O HIS A 22 -7.307 19.715 -2.865 1.00 0.00 O ATOM 290 CB HIS A 22 -4.494 19.872 -2.569 1.00 0.00 C ATOM 291 CG HIS A 22 -3.025 19.743 -2.307 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.410 20.268 -1.190 1.00 0.00 N ATOM 293 CD2 HIS A 22 -2.047 19.143 -3.025 1.00 0.00 C ATOM 294 CE1 HIS A 22 -1.118 19.998 -1.233 1.00 0.00 C ATOM 295 NE2 HIS A 22 -0.872 19.315 -2.337 1.00 0.00 N ATOM 0 H HIS A 22 -4.282 17.280 -2.331 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.483 19.434 -0.713 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.690 19.640 -3.616 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.794 20.908 -2.410 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.169 18.625 -3.965 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.387 20.286 -0.492 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.043 18.971 -2.630 1.00 0.00 H new ATOM 304 N ARG A 23 -7.244 17.552 -2.249 1.00 0.00 N ATOM 305 CA ARG A 23 -8.550 17.238 -2.817 1.00 0.00 C ATOM 306 C ARG A 23 -9.656 17.993 -2.086 1.00 0.00 C ATOM 307 O ARG A 23 -10.393 18.786 -2.673 1.00 0.00 O ATOM 308 CB ARG A 23 -8.812 15.733 -2.747 1.00 0.00 C ATOM 309 CG ARG A 23 -10.277 15.379 -2.545 1.00 0.00 C ATOM 310 CD ARG A 23 -10.477 13.875 -2.445 1.00 0.00 C ATOM 311 NE ARG A 23 -10.162 13.368 -1.112 1.00 0.00 N ATOM 312 CZ ARG A 23 -10.912 13.601 -0.041 1.00 0.00 C ATOM 313 NH1 ARG A 23 -12.015 14.329 -0.145 1.00 0.00 N ATOM 314 NH2 ARG A 23 -10.559 13.105 1.138 1.00 0.00 N ATOM 0 H ARG A 23 -6.778 16.763 -1.802 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.549 17.551 -3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.458 15.268 -3.667 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.228 15.309 -1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.647 15.858 -1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.865 15.771 -3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.510 13.630 -2.691 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.847 13.376 -3.181 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.320 12.804 -0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.290 14.712 -1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.589 14.506 0.679 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.711 12.544 1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.136 13.284 1.960 1.00 0.00 H new ATOM 328 N PRO A 24 -9.777 17.742 -0.774 1.00 0.00 N ATOM 329 CA PRO A 24 -10.791 18.388 0.065 1.00 0.00 C ATOM 330 C PRO A 24 -10.510 19.872 0.275 1.00 0.00 C ATOM 331 O PRO A 24 -11.414 20.702 0.186 1.00 0.00 O ATOM 332 CB PRO A 24 -10.688 17.631 1.391 1.00 0.00 C ATOM 333 CG PRO A 24 -9.294 17.106 1.420 1.00 0.00 C ATOM 334 CD PRO A 24 -8.934 16.809 -0.009 1.00 0.00 C ATOM 0 HA PRO A 24 -11.781 18.348 -0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.881 18.289 2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.417 16.822 1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.610 17.838 1.851 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.228 16.208 2.034 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.874 16.977 -0.200 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.144 15.772 -0.269 1.00 0.00 H new ATOM 342 N GLN A 25 -9.253 20.197 0.555 1.00 0.00 N ATOM 343 CA GLN A 25 -8.854 21.582 0.778 1.00 0.00 C ATOM 344 C GLN A 25 -9.437 22.496 -0.295 1.00 0.00 C ATOM 345 O GLN A 25 -10.093 23.491 0.012 1.00 0.00 O ATOM 346 CB GLN A 25 -7.329 21.700 0.791 1.00 0.00 C ATOM 347 CG GLN A 25 -6.817 22.874 1.610 1.00 0.00 C ATOM 348 CD GLN A 25 -7.162 22.754 3.081 1.00 0.00 C ATOM 349 OE1 GLN A 25 -8.341 23.237 3.455 1.00 0.00 O flip ATOM 350 NE2 GLN A 25 -6.377 22.233 3.874 1.00 0.00 N flip ATOM 0 H GLN A 25 -8.493 19.521 0.633 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.244 21.894 1.747 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.905 20.778 1.188 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.972 21.799 -0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.735 22.945 1.499 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.239 23.798 1.216 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.481 21.875 3.544 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.623 22.160 4.861 1.00 0.00 H new ATOM 359 N PHE A 26 -9.193 22.152 -1.555 1.00 0.00 N ATOM 360 CA PHE A 26 -9.693 22.942 -2.674 1.00 0.00 C ATOM 361 C PHE A 26 -11.143 23.355 -2.443 1.00 0.00 C ATOM 362 O PHE A 26 -11.525 24.496 -2.707 1.00 0.00 O ATOM 363 CB PHE A 26 -9.578 22.149 -3.978 1.00 0.00 C ATOM 364 CG PHE A 26 -9.915 22.953 -5.201 1.00 0.00 C ATOM 365 CD1 PHE A 26 -11.215 23.374 -5.432 1.00 0.00 C ATOM 366 CD2 PHE A 26 -8.933 23.288 -6.118 1.00 0.00 C ATOM 367 CE1 PHE A 26 -11.528 24.114 -6.557 1.00 0.00 C ATOM 368 CE2 PHE A 26 -9.240 24.028 -7.245 1.00 0.00 C ATOM 369 CZ PHE A 26 -10.539 24.442 -7.464 1.00 0.00 C ATOM 0 H PHE A 26 -8.652 21.331 -1.827 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.085 23.843 -2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.562 21.767 -4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.240 21.285 -3.928 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.992 23.121 -4.726 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.915 22.968 -5.951 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.545 24.435 -6.727 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.465 24.282 -7.953 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.781 25.021 -8.343 1.00 0.00 H new ATOM 379 N LEU A 27 -11.947 22.420 -1.950 1.00 0.00 N ATOM 380 CA LEU A 27 -13.357 22.685 -1.683 1.00 0.00 C ATOM 381 C LEU A 27 -13.518 23.619 -0.488 1.00 0.00 C ATOM 382 O LEU A 27 -14.090 24.703 -0.608 1.00 0.00 O ATOM 383 CB LEU A 27 -14.103 21.375 -1.426 1.00 0.00 C ATOM 384 CG LEU A 27 -14.422 20.531 -2.660 1.00 0.00 C ATOM 385 CD1 LEU A 27 -13.285 19.565 -2.955 1.00 0.00 C ATOM 386 CD2 LEU A 27 -15.729 19.776 -2.466 1.00 0.00 C ATOM 0 H LEU A 27 -11.647 21.471 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.783 23.171 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.509 20.770 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.039 21.607 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.534 21.199 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.530 18.973 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.369 20.126 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.140 18.902 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.940 19.180 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.645 19.119 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.539 20.487 -2.305 1.00 0.00 H new ATOM 398 N ILE A 28 -13.010 23.192 0.663 1.00 0.00 N ATOM 399 CA ILE A 28 -13.095 23.992 1.878 1.00 0.00 C ATOM 400 C ILE A 28 -12.893 25.473 1.577 1.00 0.00 C ATOM 401 O ILE A 28 -13.653 26.320 2.046 1.00 0.00 O ATOM 402 CB ILE A 28 -12.053 23.545 2.921 1.00 0.00 C ATOM 403 CG1 ILE A 28 -12.474 22.220 3.559 1.00 0.00 C ATOM 404 CG2 ILE A 28 -11.873 24.618 3.984 1.00 0.00 C ATOM 405 CD1 ILE A 28 -11.995 21.003 2.800 1.00 0.00 C ATOM 0 H ILE A 28 -12.535 22.297 0.779 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.094 23.840 2.286 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.098 23.397 2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.088 22.178 4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -13.561 22.189 3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.134 24.287 4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.532 25.541 3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.824 24.796 4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.331 20.100 3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -12.402 21.021 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.906 21.009 2.752 1.00 0.00 H new ATOM 417 N GLU A 29 -11.865 25.777 0.791 1.00 0.00 N ATOM 418 CA GLU A 29 -11.565 27.157 0.427 1.00 0.00 C ATOM 419 C GLU A 29 -12.535 27.662 -0.637 1.00 0.00 C ATOM 420 O GLU A 29 -12.835 28.853 -0.702 1.00 0.00 O ATOM 421 CB GLU A 29 -10.127 27.271 -0.084 1.00 0.00 C ATOM 422 CG GLU A 29 -9.084 27.232 1.020 1.00 0.00 C ATOM 423 CD GLU A 29 -7.713 27.673 0.544 1.00 0.00 C ATOM 424 OE1 GLU A 29 -7.537 28.882 0.286 1.00 0.00 O ATOM 425 OE2 GLU A 29 -6.818 26.810 0.431 1.00 0.00 O ATOM 0 H GLU A 29 -11.227 25.087 0.394 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.677 27.774 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.934 26.458 -0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.021 28.202 -0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.404 27.875 1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.018 26.219 1.417 1.00 0.00 H new ATOM 432 N ASN A 30 -13.022 26.747 -1.469 1.00 0.00 N ATOM 433 CA ASN A 30 -13.958 27.099 -2.530 1.00 0.00 C ATOM 434 C ASN A 30 -15.174 26.178 -2.511 1.00 0.00 C ATOM 435 O ASN A 30 -15.270 25.220 -3.279 1.00 0.00 O ATOM 436 CB ASN A 30 -13.267 27.023 -3.893 1.00 0.00 C ATOM 437 CG ASN A 30 -11.874 27.622 -3.870 1.00 0.00 C ATOM 438 OD1 ASN A 30 -11.711 28.842 -3.852 1.00 0.00 O ATOM 439 ND2 ASN A 30 -10.861 26.763 -3.870 1.00 0.00 N ATOM 0 H ASN A 30 -12.784 25.756 -1.429 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.297 28.121 -2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.206 25.982 -4.209 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.872 27.546 -4.634 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.901 27.107 -3.855 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.043 25.760 -3.885 1.00 0.00 H new ATOM 446 N PRO A 31 -16.126 26.473 -1.614 1.00 0.00 N ATOM 447 CA PRO A 31 -17.354 25.685 -1.474 1.00 0.00 C ATOM 448 C PRO A 31 -18.289 25.851 -2.668 1.00 0.00 C ATOM 449 O PRO A 31 -19.388 25.297 -2.690 1.00 0.00 O ATOM 450 CB PRO A 31 -17.998 26.253 -0.207 1.00 0.00 C ATOM 451 CG PRO A 31 -17.472 27.643 -0.106 1.00 0.00 C ATOM 452 CD PRO A 31 -16.078 27.600 -0.668 1.00 0.00 C ATOM 0 HA PRO A 31 -17.148 24.616 -1.421 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.086 26.245 -0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.732 25.664 0.671 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.097 28.338 -0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.465 27.983 0.929 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -15.817 28.533 -1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.335 27.438 0.113 1.00 0.00 H new ATOM 460 N LYS A 32 -17.845 26.616 -3.659 1.00 0.00 N ATOM 461 CA LYS A 32 -18.641 26.854 -4.857 1.00 0.00 C ATOM 462 C LYS A 32 -18.210 25.927 -5.990 1.00 0.00 C ATOM 463 O LYS A 32 -18.668 26.061 -7.125 1.00 0.00 O ATOM 464 CB LYS A 32 -18.509 28.313 -5.300 1.00 0.00 C ATOM 465 CG LYS A 32 -17.106 28.690 -5.744 1.00 0.00 C ATOM 466 CD LYS A 32 -17.121 29.872 -6.699 1.00 0.00 C ATOM 467 CE LYS A 32 -17.077 31.194 -5.949 1.00 0.00 C ATOM 468 NZ LYS A 32 -17.360 32.350 -6.845 1.00 0.00 N ATOM 0 H LYS A 32 -16.938 27.082 -3.656 1.00 0.00 H new ATOM 0 HA LYS A 32 -19.684 26.646 -4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -19.203 28.499 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -18.807 28.962 -4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.501 28.934 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.635 27.835 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -16.268 29.807 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -18.019 29.832 -7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -17.805 31.176 -5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -16.095 31.320 -5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -17.321 33.232 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.650 32.383 -7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -18.307 32.243 -7.261 1.00 0.00 H new ATOM 482 N THR A 33 -17.327 24.985 -5.674 1.00 0.00 N ATOM 483 CA THR A 33 -16.834 24.036 -6.664 1.00 0.00 C ATOM 484 C THR A 33 -17.322 22.624 -6.361 1.00 0.00 C ATOM 485 O THR A 33 -17.367 22.207 -5.204 1.00 0.00 O ATOM 486 CB THR A 33 -15.295 24.034 -6.724 1.00 0.00 C ATOM 487 OG1 THR A 33 -14.814 25.354 -6.998 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.797 23.074 -7.793 1.00 0.00 C ATOM 0 H THR A 33 -16.938 24.859 -4.739 1.00 0.00 H new ATOM 0 HA THR A 33 -17.226 24.354 -7.630 1.00 0.00 H new ATOM 0 HB THR A 33 -14.916 23.704 -5.757 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.171 25.321 -7.737 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.707 23.090 -7.817 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.141 22.065 -7.565 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.186 23.378 -8.765 1.00 0.00 H new ATOM 496 N SER A 34 -17.685 21.891 -7.409 1.00 0.00 N ATOM 497 CA SER A 34 -18.173 20.525 -7.255 1.00 0.00 C ATOM 498 C SER A 34 -17.013 19.553 -7.060 1.00 0.00 C ATOM 499 O SER A 34 -15.856 19.889 -7.318 1.00 0.00 O ATOM 500 CB SER A 34 -18.997 20.114 -8.476 1.00 0.00 C ATOM 501 OG SER A 34 -20.351 20.507 -8.333 1.00 0.00 O ATOM 0 H SER A 34 -17.650 22.220 -8.374 1.00 0.00 H new ATOM 0 HA SER A 34 -18.807 20.490 -6.369 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.576 20.569 -9.373 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.941 19.034 -8.610 1.00 0.00 H new ATOM 0 HG SER A 34 -20.856 20.234 -9.127 1.00 0.00 H new ATOM 507 N LEU A 35 -17.330 18.347 -6.602 1.00 0.00 N ATOM 508 CA LEU A 35 -16.316 17.324 -6.372 1.00 0.00 C ATOM 509 C LEU A 35 -15.350 17.240 -7.550 1.00 0.00 C ATOM 510 O LEU A 35 -14.185 17.618 -7.437 1.00 0.00 O ATOM 511 CB LEU A 35 -16.978 15.965 -6.142 1.00 0.00 C ATOM 512 CG LEU A 35 -16.078 14.869 -5.569 1.00 0.00 C ATOM 513 CD1 LEU A 35 -15.880 15.068 -4.074 1.00 0.00 C ATOM 514 CD2 LEU A 35 -16.665 13.494 -5.852 1.00 0.00 C ATOM 0 H LEU A 35 -18.282 18.053 -6.382 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.751 17.601 -5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.822 16.104 -5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -17.383 15.615 -7.091 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.105 14.934 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.237 14.279 -3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -15.415 16.037 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -16.846 15.031 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.011 12.727 -5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.651 13.418 -5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.754 13.351 -6.929 1.00 0.00 H new ATOM 526 N GLU A 36 -15.845 16.745 -8.680 1.00 0.00 N ATOM 527 CA GLU A 36 -15.026 16.613 -9.879 1.00 0.00 C ATOM 528 C GLU A 36 -14.281 17.912 -10.174 1.00 0.00 C ATOM 529 O GLU A 36 -13.050 17.953 -10.148 1.00 0.00 O ATOM 530 CB GLU A 36 -15.895 16.227 -11.078 1.00 0.00 C ATOM 531 CG GLU A 36 -16.513 14.844 -10.961 1.00 0.00 C ATOM 532 CD GLU A 36 -17.658 14.799 -9.967 1.00 0.00 C ATOM 533 OE1 GLU A 36 -18.573 15.642 -10.079 1.00 0.00 O ATOM 534 OE2 GLU A 36 -17.640 13.922 -9.079 1.00 0.00 O ATOM 0 H GLU A 36 -16.809 16.429 -8.790 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.293 15.826 -9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -16.691 16.963 -11.191 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.290 16.270 -11.984 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.874 14.527 -11.940 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.746 14.132 -10.658 1.00 0.00 H new ATOM 541 N ASP A 37 -15.035 18.968 -10.455 1.00 0.00 N ATOM 542 CA ASP A 37 -14.447 20.269 -10.755 1.00 0.00 C ATOM 543 C ASP A 37 -13.198 20.508 -9.913 1.00 0.00 C ATOM 544 O ASP A 37 -12.122 20.782 -10.444 1.00 0.00 O ATOM 545 CB ASP A 37 -15.466 21.382 -10.507 1.00 0.00 C ATOM 546 CG ASP A 37 -16.474 21.506 -11.632 1.00 0.00 C ATOM 547 OD1 ASP A 37 -16.078 21.336 -12.804 1.00 0.00 O ATOM 548 OD2 ASP A 37 -17.658 21.775 -11.342 1.00 0.00 O ATOM 0 H ASP A 37 -16.054 18.950 -10.482 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.161 20.277 -11.807 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.992 21.187 -9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.942 22.330 -10.387 1.00 0.00 H new ATOM 553 N ALA A 38 -13.349 20.403 -8.597 1.00 0.00 N ATOM 554 CA ALA A 38 -12.233 20.607 -7.681 1.00 0.00 C ATOM 555 C ALA A 38 -10.995 19.849 -8.147 1.00 0.00 C ATOM 556 O ALA A 38 -9.951 20.447 -8.413 1.00 0.00 O ATOM 557 CB ALA A 38 -12.620 20.175 -6.274 1.00 0.00 C ATOM 0 H ALA A 38 -14.233 20.178 -8.141 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.993 21.670 -7.670 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.778 20.333 -5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.472 20.764 -5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.888 19.118 -6.279 1.00 0.00 H new ATOM 563 N THR A 39 -11.116 18.529 -8.245 1.00 0.00 N ATOM 564 CA THR A 39 -10.005 17.690 -8.677 1.00 0.00 C ATOM 565 C THR A 39 -9.449 18.160 -10.016 1.00 0.00 C ATOM 566 O THR A 39 -8.250 18.408 -10.150 1.00 0.00 O ATOM 567 CB THR A 39 -10.431 16.214 -8.801 1.00 0.00 C ATOM 568 OG1 THR A 39 -11.196 15.827 -7.654 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.216 15.310 -8.936 1.00 0.00 C ATOM 0 H THR A 39 -11.972 18.018 -8.031 1.00 0.00 H new ATOM 0 HA THR A 39 -9.230 17.775 -7.915 1.00 0.00 H new ATOM 0 HB THR A 39 -11.043 16.109 -9.697 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.464 14.888 -7.741 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.542 14.273 -9.022 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.652 15.588 -9.827 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.582 15.419 -8.056 1.00 0.00 H new ATOM 577 N LEU A 40 -10.327 18.282 -11.006 1.00 0.00 N ATOM 578 CA LEU A 40 -9.924 18.725 -12.336 1.00 0.00 C ATOM 579 C LEU A 40 -8.829 19.783 -12.249 1.00 0.00 C ATOM 580 O LEU A 40 -7.779 19.656 -12.878 1.00 0.00 O ATOM 581 CB LEU A 40 -11.128 19.282 -13.097 1.00 0.00 C ATOM 582 CG LEU A 40 -12.037 18.249 -13.765 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.323 18.902 -14.246 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.315 17.573 -14.921 1.00 0.00 C ATOM 0 H LEU A 40 -11.322 18.080 -10.913 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.529 17.863 -12.874 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.729 19.871 -12.405 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.763 19.965 -13.864 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.294 17.488 -13.028 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.957 18.152 -14.719 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.849 19.339 -13.397 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.086 19.684 -14.968 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.976 16.841 -15.385 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.028 18.322 -15.659 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.422 17.071 -14.549 1.00 0.00 H new ATOM 596 N GLN A 41 -9.081 20.826 -11.464 1.00 0.00 N ATOM 597 CA GLN A 41 -8.116 21.905 -11.294 1.00 0.00 C ATOM 598 C GLN A 41 -6.860 21.405 -10.588 1.00 0.00 C ATOM 599 O GLN A 41 -5.741 21.732 -10.985 1.00 0.00 O ATOM 600 CB GLN A 41 -8.739 23.055 -10.500 1.00 0.00 C ATOM 601 CG GLN A 41 -9.765 23.852 -11.289 1.00 0.00 C ATOM 602 CD GLN A 41 -11.094 23.133 -11.412 1.00 0.00 C ATOM 603 OE1 GLN A 41 -11.289 22.314 -12.310 1.00 0.00 O ATOM 604 NE2 GLN A 41 -12.017 23.436 -10.507 1.00 0.00 N ATOM 0 H GLN A 41 -9.945 20.946 -10.936 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.835 22.267 -12.283 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.214 22.653 -9.605 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.948 23.726 -10.167 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.921 24.816 -10.805 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.373 24.056 -12.285 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.812 24.121 -9.780 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.931 22.984 -10.539 1.00 0.00 H new ATOM 613 N ILE A 42 -7.053 20.613 -9.539 1.00 0.00 N ATOM 614 CA ILE A 42 -5.935 20.068 -8.778 1.00 0.00 C ATOM 615 C ILE A 42 -4.966 19.318 -9.685 1.00 0.00 C ATOM 616 O ILE A 42 -3.751 19.383 -9.500 1.00 0.00 O ATOM 617 CB ILE A 42 -6.421 19.118 -7.667 1.00 0.00 C ATOM 618 CG1 ILE A 42 -7.378 19.849 -6.723 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.236 18.555 -6.897 1.00 0.00 C ATOM 620 CD1 ILE A 42 -8.251 18.920 -5.909 1.00 0.00 C ATOM 0 H ILE A 42 -7.972 20.334 -9.197 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.421 20.914 -8.322 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.958 18.289 -8.127 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.799 20.476 -6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -8.014 20.514 -7.307 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.595 17.886 -6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.588 18.003 -7.578 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.674 19.372 -6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.903 19.507 -5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.857 18.310 -6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.622 18.272 -5.298 1.00 0.00 H new ATOM 632 N GLU A 43 -5.512 18.608 -10.667 1.00 0.00 N ATOM 633 CA GLU A 43 -4.695 17.846 -11.604 1.00 0.00 C ATOM 634 C GLU A 43 -3.716 18.758 -12.338 1.00 0.00 C ATOM 635 O GLU A 43 -2.508 18.523 -12.328 1.00 0.00 O ATOM 636 CB GLU A 43 -5.583 17.116 -12.614 1.00 0.00 C ATOM 637 CG GLU A 43 -6.130 15.795 -12.100 1.00 0.00 C ATOM 638 CD GLU A 43 -6.798 14.977 -13.188 1.00 0.00 C ATOM 639 OE1 GLU A 43 -6.202 14.837 -14.277 1.00 0.00 O ATOM 640 OE2 GLU A 43 -7.918 14.477 -12.950 1.00 0.00 O ATOM 0 H GLU A 43 -6.516 18.545 -10.834 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.125 17.112 -11.035 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.417 17.763 -12.887 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.010 16.933 -13.523 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.317 15.215 -11.662 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.848 15.989 -11.304 1.00 0.00 H new ATOM 647 N GLU A 44 -4.247 19.798 -12.973 1.00 0.00 N ATOM 648 CA GLU A 44 -3.420 20.744 -13.712 1.00 0.00 C ATOM 649 C GLU A 44 -2.432 21.446 -12.784 1.00 0.00 C ATOM 650 O GLU A 44 -1.321 21.792 -13.188 1.00 0.00 O ATOM 651 CB GLU A 44 -4.297 21.780 -14.418 1.00 0.00 C ATOM 652 CG GLU A 44 -5.187 22.569 -13.472 1.00 0.00 C ATOM 653 CD GLU A 44 -5.676 23.870 -14.079 1.00 0.00 C ATOM 654 OE1 GLU A 44 -4.851 24.789 -14.257 1.00 0.00 O ATOM 655 OE2 GLU A 44 -6.885 23.967 -14.377 1.00 0.00 O ATOM 0 H GLU A 44 -5.245 20.007 -12.990 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.856 20.186 -14.459 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.658 22.473 -14.965 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.922 21.274 -15.154 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.045 21.958 -13.192 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.637 22.784 -12.556 1.00 0.00 H new ATOM 662 N LEU A 45 -2.845 21.652 -11.538 1.00 0.00 N ATOM 663 CA LEU A 45 -1.998 22.313 -10.551 1.00 0.00 C ATOM 664 C LEU A 45 -0.775 21.461 -10.226 1.00 0.00 C ATOM 665 O LEU A 45 0.261 21.979 -9.811 1.00 0.00 O ATOM 666 CB LEU A 45 -2.793 22.594 -9.275 1.00 0.00 C ATOM 667 CG LEU A 45 -1.991 22.601 -7.973 1.00 0.00 C ATOM 668 CD1 LEU A 45 -1.068 23.809 -7.922 1.00 0.00 C ATOM 669 CD2 LEU A 45 -2.924 22.590 -6.771 1.00 0.00 C ATOM 0 H LEU A 45 -3.761 21.371 -11.187 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.657 23.258 -10.974 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.283 23.562 -9.382 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.581 21.846 -9.189 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.379 21.699 -7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.505 23.798 -6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.376 23.774 -8.763 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.661 24.722 -7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.335 22.595 -5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.562 23.473 -6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.544 21.694 -6.800 1.00 0.00 H new ATOM 681 N TRP A 46 -0.904 20.153 -10.418 1.00 0.00 N ATOM 682 CA TRP A 46 0.192 19.230 -10.147 1.00 0.00 C ATOM 683 C TRP A 46 1.168 19.185 -11.317 1.00 0.00 C ATOM 684 O TRP A 46 2.332 18.818 -11.153 1.00 0.00 O ATOM 685 CB TRP A 46 -0.353 17.828 -9.867 1.00 0.00 C ATOM 686 CG TRP A 46 0.686 16.753 -9.982 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.940 15.973 -11.074 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.607 16.340 -8.967 1.00 0.00 C ATOM 689 NE1 TRP A 46 1.965 15.099 -10.799 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.391 15.305 -9.513 1.00 0.00 C ATOM 691 CE3 TRP A 46 1.847 16.744 -7.652 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.396 14.670 -8.787 1.00 0.00 C ATOM 693 CZ3 TRP A 46 2.844 16.113 -6.932 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.609 15.086 -7.501 1.00 0.00 C ATOM 0 H TRP A 46 -1.756 19.708 -10.760 1.00 0.00 H new ATOM 0 HA TRP A 46 0.726 19.588 -9.267 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.780 17.805 -8.864 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.164 17.615 -10.563 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.413 16.034 -12.015 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.346 14.409 -11.447 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.264 17.536 -7.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 3.986 13.878 -9.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.037 16.417 -5.914 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.382 14.614 -6.913 1.00 0.00 H new ATOM 705 N LYS A 47 0.689 19.562 -12.497 1.00 0.00 N ATOM 706 CA LYS A 47 1.520 19.566 -13.695 1.00 0.00 C ATOM 707 C LYS A 47 2.273 20.886 -13.830 1.00 0.00 C ATOM 708 O LYS A 47 2.909 21.149 -14.851 1.00 0.00 O ATOM 709 CB LYS A 47 0.660 19.329 -14.938 1.00 0.00 C ATOM 710 CG LYS A 47 0.064 17.934 -15.008 1.00 0.00 C ATOM 711 CD LYS A 47 -1.260 17.929 -15.755 1.00 0.00 C ATOM 712 CE LYS A 47 -1.091 18.399 -17.191 1.00 0.00 C ATOM 713 NZ LYS A 47 -2.320 19.066 -17.705 1.00 0.00 N ATOM 0 H LYS A 47 -0.272 19.869 -12.650 1.00 0.00 H new ATOM 0 HA LYS A 47 2.248 18.760 -13.605 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.147 20.061 -14.956 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.266 19.501 -15.827 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.765 17.263 -15.504 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.085 17.550 -13.999 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.680 16.923 -15.747 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.972 18.575 -15.241 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.251 19.091 -17.250 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.848 17.547 -17.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.164 19.372 -18.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.117 18.398 -17.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.538 19.894 -17.115 1.00 0.00 H new ATOM 727 N THR A 48 2.198 21.714 -12.792 1.00 0.00 N ATOM 728 CA THR A 48 2.872 23.005 -12.794 1.00 0.00 C ATOM 729 C THR A 48 3.796 23.145 -11.590 1.00 0.00 C ATOM 730 O THR A 48 4.672 24.011 -11.563 1.00 0.00 O ATOM 731 CB THR A 48 1.861 24.167 -12.788 1.00 0.00 C ATOM 732 OG1 THR A 48 0.968 24.034 -11.677 1.00 0.00 O ATOM 733 CG2 THR A 48 1.065 24.198 -14.084 1.00 0.00 C ATOM 0 H THR A 48 1.676 21.512 -11.939 1.00 0.00 H new ATOM 0 HA THR A 48 3.462 23.051 -13.709 1.00 0.00 H new ATOM 0 HB THR A 48 2.415 25.101 -12.698 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.152 23.193 -11.209 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.358 25.027 -14.057 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.745 24.329 -14.926 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.521 23.260 -14.200 1.00 0.00 H new ATOM 741 N LEU A 49 3.597 22.288 -10.594 1.00 0.00 N ATOM 742 CA LEU A 49 4.414 22.316 -9.386 1.00 0.00 C ATOM 743 C LEU A 49 5.898 22.383 -9.733 1.00 0.00 C ATOM 744 O LEU A 49 6.274 22.348 -10.905 1.00 0.00 O ATOM 745 CB LEU A 49 4.134 21.079 -8.530 1.00 0.00 C ATOM 746 CG LEU A 49 2.827 21.093 -7.738 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.496 19.699 -7.228 1.00 0.00 C ATOM 748 CD2 LEU A 49 2.914 22.079 -6.582 1.00 0.00 C ATOM 0 H LEU A 49 2.877 21.565 -10.599 1.00 0.00 H new ATOM 0 HA LEU A 49 4.152 23.210 -8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.132 20.205 -9.181 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.959 20.953 -7.829 1.00 0.00 H new ATOM 0 HG LEU A 49 2.025 21.414 -8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.562 19.729 -6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.390 19.018 -8.073 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.299 19.349 -6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.975 22.076 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.727 21.789 -5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.103 23.080 -6.971 1.00 0.00 H new ATOM 760 N SER A 50 6.737 22.477 -8.706 1.00 0.00 N ATOM 761 CA SER A 50 8.180 22.551 -8.903 1.00 0.00 C ATOM 762 C SER A 50 8.761 21.169 -9.187 1.00 0.00 C ATOM 763 O SER A 50 8.045 20.168 -9.167 1.00 0.00 O ATOM 764 CB SER A 50 8.853 23.156 -7.669 1.00 0.00 C ATOM 765 OG SER A 50 8.332 24.442 -7.383 1.00 0.00 O ATOM 0 H SER A 50 6.442 22.504 -7.730 1.00 0.00 H new ATOM 0 HA SER A 50 8.373 23.191 -9.764 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.703 22.500 -6.811 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.928 23.224 -7.834 1.00 0.00 H new ATOM 0 HG SER A 50 8.656 24.739 -6.507 1.00 0.00 H new ATOM 771 N GLU A 51 10.062 21.125 -9.452 1.00 0.00 N ATOM 772 CA GLU A 51 10.740 19.866 -9.741 1.00 0.00 C ATOM 773 C GLU A 51 10.923 19.042 -8.470 1.00 0.00 C ATOM 774 O GLU A 51 10.802 17.818 -8.489 1.00 0.00 O ATOM 775 CB GLU A 51 12.099 20.130 -10.391 1.00 0.00 C ATOM 776 CG GLU A 51 13.230 20.302 -9.390 1.00 0.00 C ATOM 777 CD GLU A 51 14.472 20.910 -10.011 1.00 0.00 C ATOM 778 OE1 GLU A 51 14.331 21.842 -10.831 1.00 0.00 O ATOM 779 OE2 GLU A 51 15.586 20.454 -9.677 1.00 0.00 O ATOM 0 H GLU A 51 10.668 21.945 -9.473 1.00 0.00 H new ATOM 0 HA GLU A 51 10.118 19.299 -10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.339 19.303 -11.059 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.030 21.027 -11.006 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.891 20.935 -8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.481 19.332 -8.961 1.00 0.00 H new ATOM 786 N GLU A 52 11.216 19.724 -7.367 1.00 0.00 N ATOM 787 CA GLU A 52 11.418 19.054 -6.087 1.00 0.00 C ATOM 788 C GLU A 52 10.091 18.564 -5.515 1.00 0.00 C ATOM 789 O GLU A 52 10.042 17.552 -4.817 1.00 0.00 O ATOM 790 CB GLU A 52 12.096 20.000 -5.094 1.00 0.00 C ATOM 791 CG GLU A 52 11.282 21.245 -4.785 1.00 0.00 C ATOM 792 CD GLU A 52 11.535 22.367 -5.774 1.00 0.00 C ATOM 793 OE1 GLU A 52 12.259 22.132 -6.764 1.00 0.00 O ATOM 794 OE2 GLU A 52 11.010 23.479 -5.557 1.00 0.00 O ATOM 0 H GLU A 52 11.319 20.738 -7.334 1.00 0.00 H new ATOM 0 HA GLU A 52 12.063 18.191 -6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.287 19.462 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.065 20.300 -5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.222 20.992 -4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.521 21.591 -3.779 1.00 0.00 H new ATOM 801 N GLU A 53 9.019 19.290 -5.816 1.00 0.00 N ATOM 802 CA GLU A 53 7.692 18.930 -5.330 1.00 0.00 C ATOM 803 C GLU A 53 7.268 17.566 -5.867 1.00 0.00 C ATOM 804 O GLU A 53 6.728 16.737 -5.134 1.00 0.00 O ATOM 805 CB GLU A 53 6.669 19.992 -5.738 1.00 0.00 C ATOM 806 CG GLU A 53 5.508 20.123 -4.767 1.00 0.00 C ATOM 807 CD GLU A 53 5.928 20.698 -3.429 1.00 0.00 C ATOM 808 OE1 GLU A 53 6.152 21.924 -3.353 1.00 0.00 O ATOM 809 OE2 GLU A 53 6.031 19.921 -2.456 1.00 0.00 O ATOM 0 H GLU A 53 9.043 20.130 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 53 7.734 18.876 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.172 20.955 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.279 19.748 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.741 20.760 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.057 19.143 -4.611 1.00 0.00 H new ATOM 816 N LYS A 54 7.515 17.341 -7.153 1.00 0.00 N ATOM 817 CA LYS A 54 7.161 16.078 -7.791 1.00 0.00 C ATOM 818 C LYS A 54 8.043 14.944 -7.280 1.00 0.00 C ATOM 819 O LYS A 54 7.563 13.839 -7.022 1.00 0.00 O ATOM 820 CB LYS A 54 7.293 16.197 -9.311 1.00 0.00 C ATOM 821 CG LYS A 54 6.103 16.867 -9.975 1.00 0.00 C ATOM 822 CD LYS A 54 6.290 16.973 -11.480 1.00 0.00 C ATOM 823 CE LYS A 54 5.129 17.704 -12.136 1.00 0.00 C ATOM 824 NZ LYS A 54 5.170 17.592 -13.620 1.00 0.00 N ATOM 0 H LYS A 54 7.959 18.017 -7.774 1.00 0.00 H new ATOM 0 HA LYS A 54 6.125 15.850 -7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.195 16.762 -9.546 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.422 15.201 -9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.198 16.300 -9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.963 17.863 -9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.220 17.498 -11.696 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.381 15.974 -11.908 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.188 17.296 -11.767 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.154 18.756 -11.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.362 18.103 -14.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.056 18.004 -13.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.120 16.590 -13.894 1.00 0.00 H new ATOM 838 N LEU A 55 9.333 15.223 -7.136 1.00 0.00 N ATOM 839 CA LEU A 55 10.283 14.226 -6.654 1.00 0.00 C ATOM 840 C LEU A 55 9.874 13.704 -5.280 1.00 0.00 C ATOM 841 O LEU A 55 9.594 12.517 -5.112 1.00 0.00 O ATOM 842 CB LEU A 55 11.690 14.822 -6.587 1.00 0.00 C ATOM 843 CG LEU A 55 12.542 14.673 -7.848 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.932 13.219 -8.060 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.797 15.210 -9.062 1.00 0.00 C ATOM 0 H LEU A 55 9.746 16.132 -7.346 1.00 0.00 H new ATOM 0 HA LEU A 55 10.282 13.391 -7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.603 15.883 -6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.221 14.357 -5.757 1.00 0.00 H new ATOM 0 HG LEU A 55 13.453 15.257 -7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.538 13.133 -8.962 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.506 12.867 -7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.032 12.613 -8.168 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.418 15.096 -9.950 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.869 14.654 -9.195 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.569 16.265 -8.912 1.00 0.00 H new ATOM 857 N LYS A 56 9.839 14.600 -4.299 1.00 0.00 N ATOM 858 CA LYS A 56 9.461 14.232 -2.940 1.00 0.00 C ATOM 859 C LYS A 56 8.371 13.165 -2.948 1.00 0.00 C ATOM 860 O LYS A 56 8.547 12.080 -2.394 1.00 0.00 O ATOM 861 CB LYS A 56 8.977 15.465 -2.172 1.00 0.00 C ATOM 862 CG LYS A 56 10.029 16.552 -2.043 1.00 0.00 C ATOM 863 CD LYS A 56 9.396 17.920 -1.851 1.00 0.00 C ATOM 864 CE LYS A 56 9.030 18.166 -0.395 1.00 0.00 C ATOM 865 NZ LYS A 56 10.196 18.649 0.396 1.00 0.00 N ATOM 0 H LYS A 56 10.068 15.587 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 56 10.341 13.823 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.102 15.876 -2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.658 15.160 -1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.681 16.330 -1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.655 16.562 -2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.087 18.692 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.502 17.999 -2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.226 18.900 -0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.650 17.244 0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.906 18.805 1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.954 17.938 0.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.543 19.542 -0.008 1.00 0.00 H new ATOM 879 N TYR A 57 7.246 13.480 -3.580 1.00 0.00 N ATOM 880 CA TYR A 57 6.127 12.548 -3.659 1.00 0.00 C ATOM 881 C TYR A 57 6.558 11.233 -4.303 1.00 0.00 C ATOM 882 O TYR A 57 6.333 10.157 -3.751 1.00 0.00 O ATOM 883 CB TYR A 57 4.977 13.166 -4.456 1.00 0.00 C ATOM 884 CG TYR A 57 4.062 14.034 -3.623 1.00 0.00 C ATOM 885 CD1 TYR A 57 3.120 13.470 -2.772 1.00 0.00 C ATOM 886 CD2 TYR A 57 4.139 15.420 -3.687 1.00 0.00 C ATOM 887 CE1 TYR A 57 2.282 14.260 -2.010 1.00 0.00 C ATOM 888 CE2 TYR A 57 3.306 16.218 -2.928 1.00 0.00 C ATOM 889 CZ TYR A 57 2.378 15.633 -2.091 1.00 0.00 C ATOM 890 OH TYR A 57 1.545 16.423 -1.332 1.00 0.00 O ATOM 0 H TYR A 57 7.085 14.373 -4.045 1.00 0.00 H new ATOM 0 HA TYR A 57 5.787 12.341 -2.644 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.389 13.763 -5.269 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.391 12.368 -4.912 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.042 12.395 -2.705 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.863 15.881 -4.342 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.555 13.805 -1.354 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.380 17.294 -2.989 1.00 0.00 H new ATOM 0 HH TYR A 57 1.742 17.367 -1.505 1.00 0.00 H new ATOM 900 N GLU A 58 7.179 11.331 -5.474 1.00 0.00 N ATOM 901 CA GLU A 58 7.642 10.150 -6.194 1.00 0.00 C ATOM 902 C GLU A 58 8.322 9.167 -5.245 1.00 0.00 C ATOM 903 O GLU A 58 7.863 8.039 -5.071 1.00 0.00 O ATOM 904 CB GLU A 58 8.609 10.551 -7.309 1.00 0.00 C ATOM 905 CG GLU A 58 7.923 11.170 -8.516 1.00 0.00 C ATOM 906 CD GLU A 58 7.060 10.176 -9.269 1.00 0.00 C ATOM 907 OE1 GLU A 58 7.543 9.058 -9.543 1.00 0.00 O ATOM 908 OE2 GLU A 58 5.901 10.518 -9.585 1.00 0.00 O ATOM 0 H GLU A 58 7.373 12.215 -5.944 1.00 0.00 H new ATOM 0 HA GLU A 58 6.773 9.661 -6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.335 11.260 -6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.166 9.671 -7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.306 12.007 -8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.678 11.575 -9.190 1.00 0.00 H new ATOM 915 N GLU A 59 9.419 9.604 -4.636 1.00 0.00 N ATOM 916 CA GLU A 59 10.164 8.762 -3.706 1.00 0.00 C ATOM 917 C GLU A 59 9.217 8.009 -2.777 1.00 0.00 C ATOM 918 O GLU A 59 9.377 6.810 -2.546 1.00 0.00 O ATOM 919 CB GLU A 59 11.137 9.609 -2.884 1.00 0.00 C ATOM 920 CG GLU A 59 12.134 10.383 -3.729 1.00 0.00 C ATOM 921 CD GLU A 59 12.972 11.345 -2.909 1.00 0.00 C ATOM 922 OE1 GLU A 59 12.392 12.278 -2.314 1.00 0.00 O ATOM 923 OE2 GLU A 59 14.207 11.166 -2.861 1.00 0.00 O ATOM 0 H GLU A 59 9.812 10.536 -4.769 1.00 0.00 H new ATOM 0 HA GLU A 59 10.730 8.034 -4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.568 10.311 -2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.681 8.959 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.791 9.681 -4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.598 10.939 -4.498 1.00 0.00 H new ATOM 930 N LYS A 60 8.229 8.722 -2.244 1.00 0.00 N ATOM 931 CA LYS A 60 7.255 8.123 -1.340 1.00 0.00 C ATOM 932 C LYS A 60 6.415 7.074 -2.062 1.00 0.00 C ATOM 933 O LYS A 60 6.093 6.028 -1.499 1.00 0.00 O ATOM 934 CB LYS A 60 6.345 9.203 -0.750 1.00 0.00 C ATOM 935 CG LYS A 60 6.894 9.835 0.517 1.00 0.00 C ATOM 936 CD LYS A 60 6.000 10.960 1.012 1.00 0.00 C ATOM 937 CE LYS A 60 4.923 10.444 1.954 1.00 0.00 C ATOM 938 NZ LYS A 60 5.482 10.076 3.285 1.00 0.00 N ATOM 0 H LYS A 60 8.083 9.715 -2.423 1.00 0.00 H new ATOM 0 HA LYS A 60 7.799 7.634 -0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.189 9.982 -1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.369 8.767 -0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.987 9.075 1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.895 10.221 0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.605 11.708 1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.533 11.456 0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.155 11.207 2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.438 9.574 1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.708 9.991 3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.983 9.167 3.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.146 10.813 3.598 1.00 0.00 H new ATOM 952 N ALA A 61 6.065 7.361 -3.311 1.00 0.00 N ATOM 953 CA ALA A 61 5.266 6.441 -4.111 1.00 0.00 C ATOM 954 C ALA A 61 6.059 5.186 -4.460 1.00 0.00 C ATOM 955 O ALA A 61 5.640 4.068 -4.153 1.00 0.00 O ATOM 956 CB ALA A 61 4.778 7.128 -5.377 1.00 0.00 C ATOM 0 H ALA A 61 6.322 8.223 -3.791 1.00 0.00 H new ATOM 0 HA ALA A 61 4.402 6.140 -3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.183 6.429 -5.964 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.167 7.990 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.634 7.458 -5.965 1.00 0.00 H new ATOM 962 N THR A 62 7.206 5.376 -5.103 1.00 0.00 N ATOM 963 CA THR A 62 8.057 4.260 -5.496 1.00 0.00 C ATOM 964 C THR A 62 8.296 3.312 -4.325 1.00 0.00 C ATOM 965 O THR A 62 8.389 2.098 -4.505 1.00 0.00 O ATOM 966 CB THR A 62 9.416 4.749 -6.030 1.00 0.00 C ATOM 967 OG1 THR A 62 10.258 3.630 -6.327 1.00 0.00 O ATOM 968 CG2 THR A 62 10.102 5.653 -5.017 1.00 0.00 C ATOM 0 H THR A 62 7.568 6.294 -5.363 1.00 0.00 H new ATOM 0 HA THR A 62 7.533 3.729 -6.291 1.00 0.00 H new ATOM 0 HB THR A 62 9.239 5.320 -6.941 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.119 3.950 -6.667 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.060 5.986 -5.416 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.472 6.519 -4.817 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.267 5.102 -4.091 1.00 0.00 H new ATOM 976 N LYS A 63 8.393 3.875 -3.126 1.00 0.00 N ATOM 977 CA LYS A 63 8.620 3.081 -1.924 1.00 0.00 C ATOM 978 C LYS A 63 7.408 2.207 -1.613 1.00 0.00 C ATOM 979 O LYS A 63 7.545 1.112 -1.068 1.00 0.00 O ATOM 980 CB LYS A 63 8.922 3.994 -0.734 1.00 0.00 C ATOM 981 CG LYS A 63 10.333 4.556 -0.742 1.00 0.00 C ATOM 982 CD LYS A 63 10.504 5.647 0.302 1.00 0.00 C ATOM 983 CE LYS A 63 10.634 5.064 1.701 1.00 0.00 C ATOM 984 NZ LYS A 63 10.347 6.078 2.754 1.00 0.00 N ATOM 0 H LYS A 63 8.318 4.879 -2.960 1.00 0.00 H new ATOM 0 HA LYS A 63 9.478 2.433 -2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.211 4.820 -0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.767 3.436 0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.046 3.754 -0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.560 4.957 -1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.389 6.239 0.070 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.650 6.323 0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.948 4.224 1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.642 4.672 1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.446 5.641 3.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.018 6.868 2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.376 6.433 2.638 1.00 0.00 H new ATOM 998 N ASP A 64 6.225 2.698 -1.965 1.00 0.00 N ATOM 999 CA ASP A 64 4.990 1.961 -1.726 1.00 0.00 C ATOM 1000 C ASP A 64 4.671 1.039 -2.899 1.00 0.00 C ATOM 1001 O ASP A 64 3.911 0.080 -2.760 1.00 0.00 O ATOM 1002 CB ASP A 64 3.829 2.929 -1.493 1.00 0.00 C ATOM 1003 CG ASP A 64 3.822 3.496 -0.087 1.00 0.00 C ATOM 1004 OD1 ASP A 64 3.353 2.794 0.834 1.00 0.00 O ATOM 1005 OD2 ASP A 64 4.286 4.641 0.094 1.00 0.00 O ATOM 0 H ASP A 64 6.095 3.603 -2.417 1.00 0.00 H new ATOM 0 HA ASP A 64 5.128 1.350 -0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.892 3.747 -2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.887 2.413 -1.678 1.00 0.00 H new ATOM 1010 N LEU A 65 5.256 1.336 -4.054 1.00 0.00 N ATOM 1011 CA LEU A 65 5.034 0.535 -5.253 1.00 0.00 C ATOM 1012 C LEU A 65 5.604 -0.869 -5.082 1.00 0.00 C ATOM 1013 O LEU A 65 4.991 -1.852 -5.498 1.00 0.00 O ATOM 1014 CB LEU A 65 5.671 1.212 -6.468 1.00 0.00 C ATOM 1015 CG LEU A 65 5.766 0.363 -7.736 1.00 0.00 C ATOM 1016 CD1 LEU A 65 4.483 0.469 -8.546 1.00 0.00 C ATOM 1017 CD2 LEU A 65 6.964 0.788 -8.573 1.00 0.00 C ATOM 0 H LEU A 65 5.888 2.126 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 65 3.959 0.454 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.100 2.111 -6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.676 1.534 -6.194 1.00 0.00 H new ATOM 0 HG LEU A 65 5.903 -0.678 -7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.569 -0.142 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.644 0.116 -7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.316 1.508 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.016 0.173 -9.472 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.857 1.835 -8.855 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.877 0.660 -7.992 1.00 0.00 H new