USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=13 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 22 HIS : no HD1:sc= -2.3 K(o=-2.3,f=-2.8!) USER MOD Set 1.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 12 MET CE :methyl -167:sc= 0 (180deg=-0.272) USER MOD Set 2.2: A 20 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Set 3.1: A 13 SER OG : rot 92:sc= 1.26 USER MOD Set 3.2: A 15 SER OG : rot 180:sc= 0.931 USER MOD Single : A 25 GLN : amide:sc=-0.00405 K(o=-0.004,f=-1.1) USER MOD Single : A 30 ASN : amide:sc= 0.783 K(o=0.78,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -158:sc= -0.0815 (180deg=-0.418) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 153:sc= -0.977 (180deg=-1.05) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.263) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -0.819 0.356 -5.912 1.00 0.00 N ATOM 130 CA PRO A 11 -0.463 1.627 -5.275 1.00 0.00 C ATOM 131 C PRO A 11 -0.825 2.830 -6.140 1.00 0.00 C ATOM 132 O PRO A 11 -1.102 2.689 -7.331 1.00 0.00 O ATOM 133 CB PRO A 11 1.055 1.527 -5.107 1.00 0.00 C ATOM 134 CG PRO A 11 1.492 0.577 -6.169 1.00 0.00 C ATOM 135 CD PRO A 11 0.368 -0.409 -6.330 1.00 0.00 C ATOM 0 HA PRO A 11 -1.000 1.778 -4.339 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.531 2.500 -5.226 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.320 1.161 -4.115 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.689 1.101 -7.104 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.416 0.073 -5.886 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.281 -0.755 -7.360 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.516 -1.292 -5.709 1.00 0.00 H new ATOM 143 N MET A 12 -0.820 4.012 -5.533 1.00 0.00 N ATOM 144 CA MET A 12 -1.146 5.240 -6.250 1.00 0.00 C ATOM 145 C MET A 12 0.114 6.045 -6.550 1.00 0.00 C ATOM 146 O MET A 12 0.964 6.232 -5.679 1.00 0.00 O ATOM 147 CB MET A 12 -2.125 6.087 -5.434 1.00 0.00 C ATOM 148 CG MET A 12 -3.422 5.366 -5.103 1.00 0.00 C ATOM 149 SD MET A 12 -4.807 6.498 -4.874 1.00 0.00 S ATOM 150 CE MET A 12 -4.151 7.584 -3.609 1.00 0.00 C ATOM 0 H MET A 12 -0.594 4.146 -4.547 1.00 0.00 H new ATOM 0 HA MET A 12 -1.614 4.966 -7.196 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.642 6.393 -4.506 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.356 6.997 -5.989 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.659 4.666 -5.904 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.285 4.778 -4.196 1.00 0.00 H new ATOM 0 HE1 MET A 12 -4.958 8.189 -3.195 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.700 6.988 -2.815 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.395 8.237 -4.046 1.00 0.00 H new ATOM 160 N SER A 13 0.227 6.520 -7.786 1.00 0.00 N ATOM 161 CA SER A 13 1.386 7.302 -8.201 1.00 0.00 C ATOM 162 C SER A 13 1.322 8.714 -7.627 1.00 0.00 C ATOM 163 O SER A 13 0.247 9.214 -7.296 1.00 0.00 O ATOM 164 CB SER A 13 1.465 7.364 -9.728 1.00 0.00 C ATOM 165 OG SER A 13 0.233 7.784 -10.286 1.00 0.00 O ATOM 0 H SER A 13 -0.469 6.377 -8.517 1.00 0.00 H new ATOM 0 HA SER A 13 2.281 6.812 -7.817 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.256 8.052 -10.027 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.730 6.383 -10.122 1.00 0.00 H new ATOM 0 HG SER A 13 0.240 8.757 -10.400 1.00 0.00 H new ATOM 171 N ALA A 14 2.482 9.353 -7.512 1.00 0.00 N ATOM 172 CA ALA A 14 2.559 10.707 -6.980 1.00 0.00 C ATOM 173 C ALA A 14 1.467 11.592 -7.571 1.00 0.00 C ATOM 174 O ALA A 14 0.918 12.457 -6.888 1.00 0.00 O ATOM 175 CB ALA A 14 3.931 11.305 -7.254 1.00 0.00 C ATOM 0 H ALA A 14 3.381 8.954 -7.781 1.00 0.00 H new ATOM 0 HA ALA A 14 2.406 10.656 -5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.974 12.317 -6.851 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.697 10.692 -6.778 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.107 11.335 -8.329 1.00 0.00 H new ATOM 181 N SER A 15 1.158 11.371 -8.845 1.00 0.00 N ATOM 182 CA SER A 15 0.134 12.152 -9.529 1.00 0.00 C ATOM 183 C SER A 15 -1.175 12.137 -8.746 1.00 0.00 C ATOM 184 O SER A 15 -1.774 13.183 -8.498 1.00 0.00 O ATOM 185 CB SER A 15 -0.096 11.606 -10.940 1.00 0.00 C ATOM 186 OG SER A 15 -0.525 10.256 -10.900 1.00 0.00 O ATOM 0 H SER A 15 1.602 10.658 -9.424 1.00 0.00 H new ATOM 0 HA SER A 15 0.484 13.182 -9.598 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.843 12.213 -11.451 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.825 11.681 -11.517 1.00 0.00 H new ATOM 0 HG SER A 15 -0.666 9.930 -11.813 1.00 0.00 H new ATOM 192 N ALA A 16 -1.613 10.943 -8.361 1.00 0.00 N ATOM 193 CA ALA A 16 -2.849 10.791 -7.604 1.00 0.00 C ATOM 194 C ALA A 16 -2.677 11.271 -6.167 1.00 0.00 C ATOM 195 O ALA A 16 -3.451 12.097 -5.681 1.00 0.00 O ATOM 196 CB ALA A 16 -3.306 9.339 -7.627 1.00 0.00 C ATOM 0 H ALA A 16 -1.130 10.067 -8.561 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.613 11.409 -8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.230 9.239 -7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.479 9.028 -8.657 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.536 8.708 -7.182 1.00 0.00 H new ATOM 202 N LEU A 17 -1.659 10.749 -5.492 1.00 0.00 N ATOM 203 CA LEU A 17 -1.385 11.124 -4.110 1.00 0.00 C ATOM 204 C LEU A 17 -1.543 12.628 -3.912 1.00 0.00 C ATOM 205 O LEU A 17 -2.312 13.076 -3.061 1.00 0.00 O ATOM 206 CB LEU A 17 0.028 10.692 -3.714 1.00 0.00 C ATOM 207 CG LEU A 17 0.281 9.185 -3.667 1.00 0.00 C ATOM 208 CD1 LEU A 17 1.768 8.897 -3.525 1.00 0.00 C ATOM 209 CD2 LEU A 17 -0.498 8.549 -2.525 1.00 0.00 C ATOM 0 H LEU A 17 -1.010 10.065 -5.880 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.107 10.614 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.733 11.137 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.252 11.108 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.065 8.749 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.928 7.819 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.303 9.319 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.139 9.346 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.306 7.476 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.183 8.990 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.564 8.724 -2.670 1.00 0.00 H new ATOM 221 N PHE A 18 -0.813 13.404 -4.706 1.00 0.00 N ATOM 222 CA PHE A 18 -0.873 14.859 -4.619 1.00 0.00 C ATOM 223 C PHE A 18 -2.317 15.348 -4.677 1.00 0.00 C ATOM 224 O PHE A 18 -2.738 16.173 -3.865 1.00 0.00 O ATOM 225 CB PHE A 18 -0.063 15.492 -5.752 1.00 0.00 C ATOM 226 CG PHE A 18 -0.176 16.989 -5.806 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.191 17.595 -6.530 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.732 17.791 -5.133 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.298 18.972 -6.581 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.629 19.168 -5.180 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.387 19.759 -5.906 1.00 0.00 C ATOM 0 H PHE A 18 -0.173 13.050 -5.417 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.444 15.159 -3.663 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.986 15.219 -5.635 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.396 15.076 -6.703 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.906 16.984 -7.060 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.529 17.334 -4.565 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.094 19.432 -7.148 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.342 19.782 -4.650 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.468 20.835 -5.945 1.00 0.00 H new ATOM 241 N VAL A 19 -3.072 14.833 -5.642 1.00 0.00 N ATOM 242 CA VAL A 19 -4.470 15.215 -5.806 1.00 0.00 C ATOM 243 C VAL A 19 -5.271 14.923 -4.543 1.00 0.00 C ATOM 244 O VAL A 19 -5.843 15.829 -3.936 1.00 0.00 O ATOM 245 CB VAL A 19 -5.117 14.479 -6.994 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.611 14.760 -7.046 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.445 14.879 -8.299 1.00 0.00 C ATOM 0 H VAL A 19 -2.739 14.150 -6.322 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.485 16.287 -6.002 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.978 13.407 -6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.051 14.232 -7.892 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.078 14.419 -6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.776 15.831 -7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.915 14.349 -9.128 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.551 15.953 -8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.387 14.621 -8.257 1.00 0.00 H new ATOM 257 N GLN A 20 -5.309 13.653 -4.153 1.00 0.00 N ATOM 258 CA GLN A 20 -6.041 13.242 -2.961 1.00 0.00 C ATOM 259 C GLN A 20 -5.654 14.100 -1.761 1.00 0.00 C ATOM 260 O GLN A 20 -6.452 14.300 -0.845 1.00 0.00 O ATOM 261 CB GLN A 20 -5.774 11.767 -2.656 1.00 0.00 C ATOM 262 CG GLN A 20 -6.620 11.217 -1.519 1.00 0.00 C ATOM 263 CD GLN A 20 -6.253 9.793 -1.154 1.00 0.00 C ATOM 264 OE1 GLN A 20 -6.902 8.841 -1.588 1.00 0.00 O ATOM 265 NE2 GLN A 20 -5.206 9.638 -0.351 1.00 0.00 N ATOM 0 H GLN A 20 -4.842 12.891 -4.645 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.105 13.379 -3.154 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.962 11.179 -3.555 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.720 11.641 -2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.502 11.854 -0.643 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.672 11.256 -1.802 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.696 10.455 -0.014 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.912 8.702 -0.071 1.00 0.00 H new ATOM 274 N ASP A 21 -4.425 14.602 -1.771 1.00 0.00 N ATOM 275 CA ASP A 21 -3.931 15.440 -0.684 1.00 0.00 C ATOM 276 C ASP A 21 -4.616 16.803 -0.694 1.00 0.00 C ATOM 277 O ASP A 21 -5.251 17.198 0.284 1.00 0.00 O ATOM 278 CB ASP A 21 -2.416 15.615 -0.794 1.00 0.00 C ATOM 279 CG ASP A 21 -1.653 14.539 -0.047 1.00 0.00 C ATOM 280 OD1 ASP A 21 -2.147 14.084 1.006 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.562 14.151 -0.514 1.00 0.00 O ATOM 0 H ASP A 21 -3.751 14.443 -2.520 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.163 14.944 0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.127 15.598 -1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.137 16.593 -0.402 1.00 0.00 H new ATOM 286 N HIS A 22 -4.481 17.519 -1.806 1.00 0.00 N ATOM 287 CA HIS A 22 -5.086 18.839 -1.944 1.00 0.00 C ATOM 288 C HIS A 22 -6.504 18.731 -2.497 1.00 0.00 C ATOM 289 O HIS A 22 -7.117 19.736 -2.859 1.00 0.00 O ATOM 290 CB HIS A 22 -4.234 19.720 -2.858 1.00 0.00 C ATOM 291 CG HIS A 22 -2.771 19.673 -2.543 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.199 20.392 -1.515 1.00 0.00 N ATOM 293 CD2 HIS A 22 -1.762 18.985 -3.126 1.00 0.00 C ATOM 294 CE1 HIS A 22 -0.901 20.150 -1.480 1.00 0.00 C ATOM 295 NE2 HIS A 22 -0.610 19.299 -2.447 1.00 0.00 N ATOM 0 H HIS A 22 -3.958 17.207 -2.624 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.135 19.295 -0.955 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.385 19.409 -3.892 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.581 20.751 -2.781 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.847 18.314 -3.968 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.197 20.576 -0.780 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.319 18.934 -2.656 1.00 0.00 H new ATOM 304 N ARG A 23 -7.018 17.508 -2.561 1.00 0.00 N ATOM 305 CA ARG A 23 -8.362 17.270 -3.072 1.00 0.00 C ATOM 306 C ARG A 23 -9.413 17.838 -2.123 1.00 0.00 C ATOM 307 O ARG A 23 -10.213 18.700 -2.489 1.00 0.00 O ATOM 308 CB ARG A 23 -8.597 15.771 -3.271 1.00 0.00 C ATOM 309 CG ARG A 23 -10.036 15.343 -3.033 1.00 0.00 C ATOM 310 CD ARG A 23 -10.230 13.861 -3.310 1.00 0.00 C ATOM 311 NE ARG A 23 -11.640 13.509 -3.450 1.00 0.00 N ATOM 312 CZ ARG A 23 -12.095 12.262 -3.408 1.00 0.00 C ATOM 313 NH1 ARG A 23 -11.254 11.252 -3.230 1.00 0.00 N ATOM 314 NH2 ARG A 23 -13.393 12.022 -3.542 1.00 0.00 N ATOM 0 H ARG A 23 -6.524 16.666 -2.265 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.453 17.776 -4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.309 15.498 -4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.946 15.217 -2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.316 15.561 -2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.700 15.924 -3.673 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.697 13.590 -4.221 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.791 13.280 -2.499 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.313 14.263 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.256 11.432 -3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.606 10.295 -3.198 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.043 12.796 -3.678 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.740 11.064 -3.509 1.00 0.00 H new ATOM 328 N PRO A 24 -9.413 17.346 -0.876 1.00 0.00 N ATOM 329 CA PRO A 24 -10.360 17.791 0.151 1.00 0.00 C ATOM 330 C PRO A 24 -10.089 19.220 0.610 1.00 0.00 C ATOM 331 O PRO A 24 -10.995 20.051 0.646 1.00 0.00 O ATOM 332 CB PRO A 24 -10.126 16.807 1.300 1.00 0.00 C ATOM 333 CG PRO A 24 -8.726 16.333 1.114 1.00 0.00 C ATOM 334 CD PRO A 24 -8.488 16.318 -0.371 1.00 0.00 C ATOM 0 HA PRO A 24 -11.386 17.801 -0.218 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.255 17.291 2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.833 15.978 1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.020 16.995 1.616 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.590 15.339 1.541 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.452 16.555 -0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.701 15.340 -0.802 1.00 0.00 H new ATOM 342 N GLN A 25 -8.836 19.497 0.959 1.00 0.00 N ATOM 343 CA GLN A 25 -8.447 20.826 1.415 1.00 0.00 C ATOM 344 C GLN A 25 -9.137 21.908 0.591 1.00 0.00 C ATOM 345 O GLN A 25 -9.584 22.921 1.129 1.00 0.00 O ATOM 346 CB GLN A 25 -6.929 20.993 1.331 1.00 0.00 C ATOM 347 CG GLN A 25 -6.441 22.358 1.787 1.00 0.00 C ATOM 348 CD GLN A 25 -6.693 22.605 3.262 1.00 0.00 C ATOM 349 OE1 GLN A 25 -6.869 21.666 4.039 1.00 0.00 O ATOM 350 NE2 GLN A 25 -6.711 23.873 3.656 1.00 0.00 N ATOM 0 H GLN A 25 -8.074 18.819 0.935 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.760 20.932 2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.453 20.224 1.940 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.610 20.828 0.302 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.373 22.444 1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.939 23.132 1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.560 24.620 2.978 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.875 24.100 4.637 1.00 0.00 H new ATOM 359 N PHE A 26 -9.219 21.687 -0.717 1.00 0.00 N ATOM 360 CA PHE A 26 -9.853 22.644 -1.616 1.00 0.00 C ATOM 361 C PHE A 26 -11.348 22.748 -1.332 1.00 0.00 C ATOM 362 O PHE A 26 -11.909 23.844 -1.287 1.00 0.00 O ATOM 363 CB PHE A 26 -9.625 22.235 -3.073 1.00 0.00 C ATOM 364 CG PHE A 26 -10.116 23.252 -4.064 1.00 0.00 C ATOM 365 CD1 PHE A 26 -11.472 23.410 -4.299 1.00 0.00 C ATOM 366 CD2 PHE A 26 -9.221 24.048 -4.760 1.00 0.00 C ATOM 367 CE1 PHE A 26 -11.926 24.344 -5.211 1.00 0.00 C ATOM 368 CE2 PHE A 26 -9.669 24.984 -5.673 1.00 0.00 C ATOM 369 CZ PHE A 26 -11.024 25.133 -5.898 1.00 0.00 C ATOM 0 H PHE A 26 -8.854 20.853 -1.178 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.400 23.621 -1.446 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.560 22.068 -3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.128 21.286 -3.259 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -12.182 22.797 -3.764 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.161 23.936 -4.587 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.986 24.457 -5.386 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.961 25.598 -6.210 1.00 0.00 H new ATOM 0 HZ PHE A 26 -11.377 25.865 -6.609 1.00 0.00 H new ATOM 379 N LEU A 27 -11.990 21.600 -1.142 1.00 0.00 N ATOM 380 CA LEU A 27 -13.421 21.561 -0.864 1.00 0.00 C ATOM 381 C LEU A 27 -13.722 22.129 0.519 1.00 0.00 C ATOM 382 O LEU A 27 -14.515 23.062 0.658 1.00 0.00 O ATOM 383 CB LEU A 27 -13.940 20.125 -0.962 1.00 0.00 C ATOM 384 CG LEU A 27 -13.791 19.449 -2.325 1.00 0.00 C ATOM 385 CD1 LEU A 27 -13.928 17.941 -2.191 1.00 0.00 C ATOM 386 CD2 LEU A 27 -14.818 19.995 -3.306 1.00 0.00 C ATOM 0 H LEU A 27 -11.542 20.684 -1.175 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.928 22.176 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.419 19.520 -0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.996 20.122 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.796 19.669 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.819 17.477 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.154 17.563 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.909 17.700 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.697 19.503 -4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.822 19.806 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.672 21.069 -3.426 1.00 0.00 H new ATOM 398 N ILE A 28 -13.084 21.563 1.538 1.00 0.00 N ATOM 399 CA ILE A 28 -13.282 22.016 2.909 1.00 0.00 C ATOM 400 C ILE A 28 -13.518 23.522 2.962 1.00 0.00 C ATOM 401 O ILE A 28 -14.442 23.991 3.625 1.00 0.00 O ATOM 402 CB ILE A 28 -12.074 21.666 3.797 1.00 0.00 C ATOM 403 CG1 ILE A 28 -11.996 20.153 4.017 1.00 0.00 C ATOM 404 CG2 ILE A 28 -12.166 22.395 5.129 1.00 0.00 C ATOM 405 CD1 ILE A 28 -10.689 19.698 4.627 1.00 0.00 C ATOM 0 H ILE A 28 -12.426 20.790 1.440 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.164 21.499 3.288 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.165 21.989 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.817 19.845 4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.137 19.647 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.305 22.137 5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.178 23.471 4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.081 22.100 5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.704 18.616 4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.865 19.974 3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.555 20.176 5.598 1.00 0.00 H new ATOM 417 N GLU A 29 -12.677 24.272 2.258 1.00 0.00 N ATOM 418 CA GLU A 29 -12.795 25.725 2.224 1.00 0.00 C ATOM 419 C GLU A 29 -13.800 26.165 1.163 1.00 0.00 C ATOM 420 O GLU A 29 -14.626 27.044 1.402 1.00 0.00 O ATOM 421 CB GLU A 29 -11.432 26.364 1.948 1.00 0.00 C ATOM 422 CG GLU A 29 -10.637 26.669 3.206 1.00 0.00 C ATOM 423 CD GLU A 29 -10.975 28.025 3.796 1.00 0.00 C ATOM 424 OE1 GLU A 29 -12.174 28.373 3.832 1.00 0.00 O ATOM 425 OE2 GLU A 29 -10.042 28.738 4.220 1.00 0.00 O ATOM 0 H GLU A 29 -11.907 23.898 1.704 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.153 26.057 3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.849 25.697 1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.580 27.288 1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.830 25.895 3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.572 26.632 2.976 1.00 0.00 H new ATOM 432 N ASN A 30 -13.721 25.546 -0.010 1.00 0.00 N ATOM 433 CA ASN A 30 -14.622 25.874 -1.109 1.00 0.00 C ATOM 434 C ASN A 30 -15.460 24.662 -1.505 1.00 0.00 C ATOM 435 O ASN A 30 -15.163 23.959 -2.472 1.00 0.00 O ATOM 436 CB ASN A 30 -13.826 26.374 -2.317 1.00 0.00 C ATOM 437 CG ASN A 30 -12.667 27.267 -1.916 1.00 0.00 C ATOM 438 OD1 ASN A 30 -12.800 28.489 -1.865 1.00 0.00 O ATOM 439 ND2 ASN A 30 -11.523 26.657 -1.629 1.00 0.00 N ATOM 0 H ASN A 30 -13.043 24.815 -0.224 1.00 0.00 H new ATOM 0 HA ASN A 30 -15.293 26.664 -0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.446 25.520 -2.877 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.490 26.923 -2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.708 27.205 -1.353 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.459 25.641 -1.685 1.00 0.00 H new ATOM 446 N PRO A 31 -16.534 24.411 -0.742 1.00 0.00 N ATOM 447 CA PRO A 31 -17.438 23.285 -0.994 1.00 0.00 C ATOM 448 C PRO A 31 -18.262 23.476 -2.263 1.00 0.00 C ATOM 449 O PRO A 31 -18.401 22.557 -3.071 1.00 0.00 O ATOM 450 CB PRO A 31 -18.347 23.277 0.238 1.00 0.00 C ATOM 451 CG PRO A 31 -18.323 24.681 0.735 1.00 0.00 C ATOM 452 CD PRO A 31 -16.948 25.207 0.425 1.00 0.00 C ATOM 0 HA PRO A 31 -16.895 22.352 -1.146 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.359 22.965 -0.019 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.982 22.583 0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -19.090 25.281 0.246 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.523 24.719 1.806 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.967 26.273 0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.267 25.072 1.265 1.00 0.00 H new ATOM 460 N LYS A 32 -18.808 24.675 -2.433 1.00 0.00 N ATOM 461 CA LYS A 32 -19.618 24.989 -3.604 1.00 0.00 C ATOM 462 C LYS A 32 -18.991 24.413 -4.869 1.00 0.00 C ATOM 463 O LYS A 32 -19.676 23.807 -5.695 1.00 0.00 O ATOM 464 CB LYS A 32 -19.780 26.504 -3.747 1.00 0.00 C ATOM 465 CG LYS A 32 -21.019 26.913 -4.524 1.00 0.00 C ATOM 466 CD LYS A 32 -21.186 28.423 -4.554 1.00 0.00 C ATOM 467 CE LYS A 32 -22.127 28.858 -5.667 1.00 0.00 C ATOM 468 NZ LYS A 32 -21.557 28.583 -7.015 1.00 0.00 N ATOM 0 H LYS A 32 -18.704 25.446 -1.774 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.600 24.536 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -19.820 26.952 -2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -18.899 26.910 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -20.952 26.533 -5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -21.900 26.458 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -21.573 28.766 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -20.213 28.895 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -23.079 28.337 -5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -22.335 29.924 -5.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -22.014 29.199 -7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -20.534 28.770 -7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -21.725 27.588 -7.266 1.00 0.00 H new ATOM 482 N THR A 33 -17.683 24.603 -5.016 1.00 0.00 N ATOM 483 CA THR A 33 -16.964 24.102 -6.180 1.00 0.00 C ATOM 484 C THR A 33 -17.144 22.596 -6.331 1.00 0.00 C ATOM 485 O THR A 33 -16.557 21.813 -5.584 1.00 0.00 O ATOM 486 CB THR A 33 -15.460 24.422 -6.091 1.00 0.00 C ATOM 487 OG1 THR A 33 -15.260 25.839 -6.083 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.706 23.805 -7.260 1.00 0.00 C ATOM 0 H THR A 33 -17.100 25.101 -4.343 1.00 0.00 H new ATOM 0 HA THR A 33 -17.384 24.604 -7.052 1.00 0.00 H new ATOM 0 HB THR A 33 -15.075 23.996 -5.165 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.301 26.034 -6.024 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.646 24.044 -7.176 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.836 22.723 -7.246 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.095 24.205 -8.196 1.00 0.00 H new ATOM 496 N SER A 34 -17.958 22.196 -7.303 1.00 0.00 N ATOM 497 CA SER A 34 -18.217 20.783 -7.550 1.00 0.00 C ATOM 498 C SER A 34 -16.950 19.956 -7.355 1.00 0.00 C ATOM 499 O SER A 34 -15.837 20.453 -7.532 1.00 0.00 O ATOM 500 CB SER A 34 -18.758 20.581 -8.967 1.00 0.00 C ATOM 501 OG SER A 34 -20.007 21.231 -9.133 1.00 0.00 O ATOM 0 H SER A 34 -18.449 22.831 -7.932 1.00 0.00 H new ATOM 0 HA SER A 34 -18.965 20.446 -6.832 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.043 20.970 -9.692 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.869 19.516 -9.169 1.00 0.00 H new ATOM 0 HG SER A 34 -20.331 21.089 -10.047 1.00 0.00 H new ATOM 507 N LEU A 35 -17.127 18.691 -6.990 1.00 0.00 N ATOM 508 CA LEU A 35 -15.998 17.793 -6.771 1.00 0.00 C ATOM 509 C LEU A 35 -15.104 17.730 -8.005 1.00 0.00 C ATOM 510 O LEU A 35 -13.926 18.080 -7.948 1.00 0.00 O ATOM 511 CB LEU A 35 -16.498 16.391 -6.418 1.00 0.00 C ATOM 512 CG LEU A 35 -15.590 15.564 -5.507 1.00 0.00 C ATOM 513 CD1 LEU A 35 -16.320 14.329 -5.003 1.00 0.00 C ATOM 514 CD2 LEU A 35 -14.316 15.170 -6.241 1.00 0.00 C ATOM 0 H LEU A 35 -18.041 18.264 -6.839 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.411 18.184 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.472 16.485 -5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.651 15.838 -7.345 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.317 16.175 -4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.658 13.753 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -17.203 14.632 -4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -16.624 13.715 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.681 14.582 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.571 14.577 -7.120 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.782 16.068 -6.552 1.00 0.00 H new ATOM 526 N GLU A 36 -15.674 17.284 -9.120 1.00 0.00 N ATOM 527 CA GLU A 36 -14.928 17.178 -10.369 1.00 0.00 C ATOM 528 C GLU A 36 -14.228 18.493 -10.698 1.00 0.00 C ATOM 529 O GLU A 36 -13.070 18.505 -11.116 1.00 0.00 O ATOM 530 CB GLU A 36 -15.862 16.783 -11.515 1.00 0.00 C ATOM 531 CG GLU A 36 -17.057 17.708 -11.672 1.00 0.00 C ATOM 532 CD GLU A 36 -17.889 17.383 -12.897 1.00 0.00 C ATOM 533 OE1 GLU A 36 -18.462 16.274 -12.948 1.00 0.00 O ATOM 534 OE2 GLU A 36 -17.968 18.236 -13.805 1.00 0.00 O ATOM 0 H GLU A 36 -16.649 16.991 -9.184 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.170 16.405 -10.245 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.296 16.773 -12.447 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.219 15.767 -11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.684 17.640 -10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.708 18.739 -11.737 1.00 0.00 H new ATOM 541 N ASP A 37 -14.940 19.599 -10.507 1.00 0.00 N ATOM 542 CA ASP A 37 -14.388 20.920 -10.783 1.00 0.00 C ATOM 543 C ASP A 37 -13.177 21.199 -9.899 1.00 0.00 C ATOM 544 O ASP A 37 -12.159 21.709 -10.366 1.00 0.00 O ATOM 545 CB ASP A 37 -15.453 21.996 -10.565 1.00 0.00 C ATOM 546 CG ASP A 37 -15.040 23.341 -11.129 1.00 0.00 C ATOM 547 OD1 ASP A 37 -13.874 23.738 -10.925 1.00 0.00 O ATOM 548 OD2 ASP A 37 -15.884 23.998 -11.775 1.00 0.00 O ATOM 0 H ASP A 37 -15.900 19.606 -10.162 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.067 20.942 -11.824 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.386 21.680 -11.032 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.650 22.098 -9.498 1.00 0.00 H new ATOM 553 N ALA A 38 -13.294 20.860 -8.619 1.00 0.00 N ATOM 554 CA ALA A 38 -12.208 21.073 -7.670 1.00 0.00 C ATOM 555 C ALA A 38 -10.936 20.367 -8.124 1.00 0.00 C ATOM 556 O ALA A 38 -9.840 20.923 -8.041 1.00 0.00 O ATOM 557 CB ALA A 38 -12.616 20.592 -6.286 1.00 0.00 C ATOM 0 H ALA A 38 -14.130 20.437 -8.216 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.002 22.142 -7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.796 20.757 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.494 21.146 -5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.851 19.528 -6.325 1.00 0.00 H new ATOM 563 N THR A 39 -11.087 19.136 -8.605 1.00 0.00 N ATOM 564 CA THR A 39 -9.949 18.353 -9.071 1.00 0.00 C ATOM 565 C THR A 39 -9.399 18.907 -10.380 1.00 0.00 C ATOM 566 O THR A 39 -8.195 19.131 -10.514 1.00 0.00 O ATOM 567 CB THR A 39 -10.330 16.874 -9.272 1.00 0.00 C ATOM 568 OG1 THR A 39 -11.148 16.426 -8.185 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.087 16.003 -9.370 1.00 0.00 C ATOM 0 H THR A 39 -11.986 18.660 -8.682 1.00 0.00 H new ATOM 0 HA THR A 39 -9.181 18.421 -8.300 1.00 0.00 H new ATOM 0 HB THR A 39 -10.888 16.790 -10.205 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.387 15.485 -8.322 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.382 14.963 -9.512 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.481 16.327 -10.216 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.506 16.094 -8.452 1.00 0.00 H new ATOM 577 N LEU A 40 -10.287 19.126 -11.343 1.00 0.00 N ATOM 578 CA LEU A 40 -9.890 19.656 -12.644 1.00 0.00 C ATOM 579 C LEU A 40 -8.831 20.742 -12.489 1.00 0.00 C ATOM 580 O LEU A 40 -7.909 20.842 -13.298 1.00 0.00 O ATOM 581 CB LEU A 40 -11.108 20.215 -13.382 1.00 0.00 C ATOM 582 CG LEU A 40 -11.968 19.195 -14.128 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.333 19.782 -14.451 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.269 18.735 -15.398 1.00 0.00 C ATOM 0 H LEU A 40 -11.286 18.945 -11.248 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.463 18.840 -13.227 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.739 20.733 -12.660 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.763 20.962 -14.097 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.112 18.329 -13.482 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.931 19.041 -14.982 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.838 20.060 -13.526 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.210 20.666 -15.077 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.896 18.009 -15.916 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.094 19.592 -16.048 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.315 18.273 -15.142 1.00 0.00 H new ATOM 596 N GLN A 41 -8.970 21.552 -11.444 1.00 0.00 N ATOM 597 CA GLN A 41 -8.024 22.631 -11.183 1.00 0.00 C ATOM 598 C GLN A 41 -6.732 22.087 -10.581 1.00 0.00 C ATOM 599 O GLN A 41 -5.637 22.504 -10.958 1.00 0.00 O ATOM 600 CB GLN A 41 -8.644 23.665 -10.242 1.00 0.00 C ATOM 601 CG GLN A 41 -9.710 24.525 -10.901 1.00 0.00 C ATOM 602 CD GLN A 41 -9.920 25.845 -10.185 1.00 0.00 C ATOM 603 OE1 GLN A 41 -9.118 26.770 -10.316 1.00 0.00 O ATOM 604 NE2 GLN A 41 -11.002 25.939 -9.422 1.00 0.00 N ATOM 0 H GLN A 41 -9.728 21.482 -10.765 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.787 23.111 -12.132 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.082 23.150 -9.387 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.856 24.311 -9.855 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.427 24.718 -11.936 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.651 23.975 -10.925 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.640 25.147 -9.342 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.195 26.803 -8.916 1.00 0.00 H new ATOM 613 N ILE A 42 -6.868 21.156 -9.643 1.00 0.00 N ATOM 614 CA ILE A 42 -5.712 20.556 -8.990 1.00 0.00 C ATOM 615 C ILE A 42 -4.828 19.828 -9.996 1.00 0.00 C ATOM 616 O ILE A 42 -3.608 19.989 -9.996 1.00 0.00 O ATOM 617 CB ILE A 42 -6.138 19.567 -7.888 1.00 0.00 C ATOM 618 CG1 ILE A 42 -6.842 20.310 -6.751 1.00 0.00 C ATOM 619 CG2 ILE A 42 -4.929 18.807 -7.363 1.00 0.00 C ATOM 620 CD1 ILE A 42 -7.580 19.395 -5.798 1.00 0.00 C ATOM 0 H ILE A 42 -7.767 20.801 -9.318 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.148 21.371 -8.537 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.837 18.848 -8.315 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.104 20.885 -6.192 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.547 21.024 -7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.246 18.112 -6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.466 18.252 -8.179 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.208 19.512 -6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.055 19.989 -5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.341 18.838 -6.344 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.876 18.697 -5.345 1.00 0.00 H new ATOM 632 N GLU A 43 -5.453 19.028 -10.855 1.00 0.00 N ATOM 633 CA GLU A 43 -4.722 18.276 -11.868 1.00 0.00 C ATOM 634 C GLU A 43 -3.705 19.166 -12.578 1.00 0.00 C ATOM 635 O GLU A 43 -2.510 18.871 -12.591 1.00 0.00 O ATOM 636 CB GLU A 43 -5.692 17.677 -12.889 1.00 0.00 C ATOM 637 CG GLU A 43 -6.358 16.396 -12.417 1.00 0.00 C ATOM 638 CD GLU A 43 -7.471 15.942 -13.341 1.00 0.00 C ATOM 639 OE1 GLU A 43 -7.180 15.199 -14.301 1.00 0.00 O ATOM 640 OE2 GLU A 43 -8.634 16.330 -13.102 1.00 0.00 O ATOM 0 H GLU A 43 -6.463 18.884 -10.869 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.187 17.469 -11.369 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.462 18.413 -13.121 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.153 17.477 -13.815 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.609 15.608 -12.342 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.761 16.548 -11.416 1.00 0.00 H new ATOM 647 N GLU A 44 -4.189 20.254 -13.168 1.00 0.00 N ATOM 648 CA GLU A 44 -3.323 21.186 -13.881 1.00 0.00 C ATOM 649 C GLU A 44 -2.323 21.836 -12.929 1.00 0.00 C ATOM 650 O GLU A 44 -1.191 22.137 -13.309 1.00 0.00 O ATOM 651 CB GLU A 44 -4.157 22.263 -14.576 1.00 0.00 C ATOM 652 CG GLU A 44 -5.193 21.705 -15.537 1.00 0.00 C ATOM 653 CD GLU A 44 -5.855 22.784 -16.372 1.00 0.00 C ATOM 654 OE1 GLU A 44 -6.556 23.639 -15.790 1.00 0.00 O ATOM 655 OE2 GLU A 44 -5.672 22.774 -17.607 1.00 0.00 O ATOM 0 H GLU A 44 -5.176 20.512 -13.167 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.770 20.624 -14.634 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.662 22.864 -13.820 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.490 22.931 -15.121 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.717 20.980 -16.198 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.956 21.169 -14.972 1.00 0.00 H new ATOM 662 N LEU A 45 -2.750 22.051 -11.689 1.00 0.00 N ATOM 663 CA LEU A 45 -1.893 22.666 -10.681 1.00 0.00 C ATOM 664 C LEU A 45 -0.724 21.752 -10.329 1.00 0.00 C ATOM 665 O LEU A 45 0.284 22.200 -9.782 1.00 0.00 O ATOM 666 CB LEU A 45 -2.702 22.986 -9.423 1.00 0.00 C ATOM 667 CG LEU A 45 -1.909 23.070 -8.118 1.00 0.00 C ATOM 668 CD1 LEU A 45 -0.963 24.261 -8.144 1.00 0.00 C ATOM 669 CD2 LEU A 45 -2.850 23.160 -6.926 1.00 0.00 C ATOM 0 H LEU A 45 -3.684 21.809 -11.358 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.494 23.592 -11.095 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.213 23.937 -9.576 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.473 22.224 -9.308 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.315 22.162 -8.018 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.407 24.305 -7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.266 24.154 -8.975 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.537 25.179 -8.268 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.268 23.219 -6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.472 24.050 -7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.486 22.275 -6.897 1.00 0.00 H new ATOM 681 N TRP A 46 -0.865 20.470 -10.646 1.00 0.00 N ATOM 682 CA TRP A 46 0.181 19.494 -10.365 1.00 0.00 C ATOM 683 C TRP A 46 1.111 19.332 -11.563 1.00 0.00 C ATOM 684 O TRP A 46 2.288 19.006 -11.408 1.00 0.00 O ATOM 685 CB TRP A 46 -0.438 18.144 -9.999 1.00 0.00 C ATOM 686 CG TRP A 46 0.545 17.012 -10.027 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.702 16.088 -11.020 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.504 16.685 -9.016 1.00 0.00 C ATOM 689 NE1 TRP A 46 1.701 15.206 -10.687 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.210 15.551 -9.463 1.00 0.00 C ATOM 691 CE3 TRP A 46 1.837 17.241 -7.778 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.226 14.964 -8.714 1.00 0.00 C ATOM 693 CZ3 TRP A 46 2.846 16.657 -7.036 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.531 15.529 -7.506 1.00 0.00 C ATOM 0 H TRP A 46 -1.693 20.082 -11.098 1.00 0.00 H new ATOM 0 HA TRP A 46 0.766 19.859 -9.521 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.876 18.211 -9.003 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.252 17.926 -10.691 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.126 16.055 -11.933 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.013 14.421 -11.259 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.315 18.111 -7.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 3.755 14.094 -9.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.111 17.077 -6.077 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.316 15.097 -6.903 1.00 0.00 H new ATOM 705 N LYS A 47 0.576 19.562 -12.757 1.00 0.00 N ATOM 706 CA LYS A 47 1.358 19.443 -13.982 1.00 0.00 C ATOM 707 C LYS A 47 2.340 20.603 -14.115 1.00 0.00 C ATOM 708 O LYS A 47 3.492 20.414 -14.508 1.00 0.00 O ATOM 709 CB LYS A 47 0.433 19.402 -15.200 1.00 0.00 C ATOM 710 CG LYS A 47 -0.498 18.202 -15.217 1.00 0.00 C ATOM 711 CD LYS A 47 -1.223 18.077 -16.547 1.00 0.00 C ATOM 712 CE LYS A 47 -2.589 17.431 -16.378 1.00 0.00 C ATOM 713 NZ LYS A 47 -3.605 18.401 -15.883 1.00 0.00 N ATOM 0 H LYS A 47 -0.397 19.832 -12.903 1.00 0.00 H new ATOM 0 HA LYS A 47 1.925 18.513 -13.933 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.163 20.314 -15.224 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.039 19.394 -16.106 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.074 17.294 -15.027 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.227 18.294 -14.412 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.339 19.065 -16.994 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.622 17.484 -17.236 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.916 17.018 -17.332 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.512 16.597 -15.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.550 18.105 -16.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.581 18.429 -14.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.394 19.347 -16.260 1.00 0.00 H new ATOM 727 N THR A 48 1.878 21.805 -13.783 1.00 0.00 N ATOM 728 CA THR A 48 2.716 22.995 -13.865 1.00 0.00 C ATOM 729 C THR A 48 3.876 22.919 -12.880 1.00 0.00 C ATOM 730 O THR A 48 4.959 23.447 -13.138 1.00 0.00 O ATOM 731 CB THR A 48 1.903 24.274 -13.587 1.00 0.00 C ATOM 732 OG1 THR A 48 2.766 25.416 -13.610 1.00 0.00 O ATOM 733 CG2 THR A 48 1.203 24.188 -12.239 1.00 0.00 C ATOM 0 H THR A 48 0.928 21.980 -13.455 1.00 0.00 H new ATOM 0 HA THR A 48 3.109 23.037 -14.881 1.00 0.00 H new ATOM 0 HB THR A 48 1.146 24.374 -14.365 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.242 26.225 -13.434 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.635 25.102 -12.065 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.526 23.334 -12.235 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.946 24.066 -11.450 1.00 0.00 H new ATOM 741 N LEU A 49 3.645 22.260 -11.750 1.00 0.00 N ATOM 742 CA LEU A 49 4.672 22.115 -10.724 1.00 0.00 C ATOM 743 C LEU A 49 6.013 21.738 -11.347 1.00 0.00 C ATOM 744 O LEU A 49 6.073 21.290 -12.492 1.00 0.00 O ATOM 745 CB LEU A 49 4.255 21.055 -9.703 1.00 0.00 C ATOM 746 CG LEU A 49 3.364 21.540 -8.559 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.985 20.381 -7.650 1.00 0.00 C ATOM 748 CD2 LEU A 49 4.061 22.636 -7.767 1.00 0.00 C ATOM 0 H LEU A 49 2.755 21.817 -11.521 1.00 0.00 H new ATOM 0 HA LEU A 49 4.783 23.074 -10.218 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.733 20.257 -10.230 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.157 20.617 -9.274 1.00 0.00 H new ATOM 0 HG LEU A 49 2.451 21.954 -8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.351 20.745 -6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.444 19.629 -8.225 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.888 19.937 -7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.412 22.969 -6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.991 22.249 -7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.280 23.477 -8.425 1.00 0.00 H new ATOM 760 N SER A 50 7.086 21.921 -10.584 1.00 0.00 N ATOM 761 CA SER A 50 8.426 21.601 -11.061 1.00 0.00 C ATOM 762 C SER A 50 8.814 20.176 -10.678 1.00 0.00 C ATOM 763 O SER A 50 8.098 19.506 -9.936 1.00 0.00 O ATOM 764 CB SER A 50 9.444 22.590 -10.488 1.00 0.00 C ATOM 765 OG SER A 50 9.122 23.921 -10.853 1.00 0.00 O ATOM 0 H SER A 50 7.053 22.289 -9.633 1.00 0.00 H new ATOM 0 HA SER A 50 8.426 21.679 -12.148 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.469 22.503 -9.402 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.441 22.341 -10.850 1.00 0.00 H new ATOM 0 HG SER A 50 9.786 24.534 -10.474 1.00 0.00 H new ATOM 771 N GLU A 51 9.953 19.722 -11.190 1.00 0.00 N ATOM 772 CA GLU A 51 10.436 18.376 -10.903 1.00 0.00 C ATOM 773 C GLU A 51 10.769 18.222 -9.421 1.00 0.00 C ATOM 774 O GLU A 51 10.105 17.479 -8.700 1.00 0.00 O ATOM 775 CB GLU A 51 11.672 18.062 -11.749 1.00 0.00 C ATOM 776 CG GLU A 51 11.345 17.429 -13.091 1.00 0.00 C ATOM 777 CD GLU A 51 11.065 18.458 -14.169 1.00 0.00 C ATOM 778 OE1 GLU A 51 9.951 19.022 -14.175 1.00 0.00 O ATOM 779 OE2 GLU A 51 11.959 18.699 -15.007 1.00 0.00 O ATOM 0 H GLU A 51 10.558 20.266 -11.805 1.00 0.00 H new ATOM 0 HA GLU A 51 9.643 17.672 -11.155 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.230 18.983 -11.917 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.324 17.391 -11.190 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.177 16.798 -13.403 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.477 16.779 -12.980 1.00 0.00 H new ATOM 786 N GLU A 52 11.802 18.931 -8.976 1.00 0.00 N ATOM 787 CA GLU A 52 12.223 18.872 -7.581 1.00 0.00 C ATOM 788 C GLU A 52 11.020 18.715 -6.656 1.00 0.00 C ATOM 789 O GLU A 52 11.079 17.989 -5.663 1.00 0.00 O ATOM 790 CB GLU A 52 13.006 20.132 -7.208 1.00 0.00 C ATOM 791 CG GLU A 52 12.247 21.422 -7.474 1.00 0.00 C ATOM 792 CD GLU A 52 13.029 22.654 -7.063 1.00 0.00 C ATOM 793 OE1 GLU A 52 13.571 22.666 -5.938 1.00 0.00 O ATOM 794 OE2 GLU A 52 13.098 23.608 -7.867 1.00 0.00 O ATOM 0 H GLU A 52 12.362 19.552 -9.560 1.00 0.00 H new ATOM 0 HA GLU A 52 12.869 18.002 -7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.269 20.086 -6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.941 20.148 -7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.007 21.486 -8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.300 21.400 -6.934 1.00 0.00 H new ATOM 801 N GLU A 53 9.931 19.401 -6.988 1.00 0.00 N ATOM 802 CA GLU A 53 8.715 19.338 -6.186 1.00 0.00 C ATOM 803 C GLU A 53 8.097 17.944 -6.243 1.00 0.00 C ATOM 804 O GLU A 53 7.933 17.282 -5.217 1.00 0.00 O ATOM 805 CB GLU A 53 7.702 20.377 -6.673 1.00 0.00 C ATOM 806 CG GLU A 53 6.644 20.726 -5.640 1.00 0.00 C ATOM 807 CD GLU A 53 7.240 21.276 -4.358 1.00 0.00 C ATOM 808 OE1 GLU A 53 8.163 22.112 -4.443 1.00 0.00 O ATOM 809 OE2 GLU A 53 6.782 20.868 -3.270 1.00 0.00 O ATOM 0 H GLU A 53 9.866 20.006 -7.806 1.00 0.00 H new ATOM 0 HA GLU A 53 8.981 19.557 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.234 21.285 -6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.211 20.001 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.958 21.460 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.057 19.836 -5.411 1.00 0.00 H new ATOM 816 N LYS A 54 7.754 17.503 -7.449 1.00 0.00 N ATOM 817 CA LYS A 54 7.155 16.188 -7.642 1.00 0.00 C ATOM 818 C LYS A 54 8.046 15.094 -7.063 1.00 0.00 C ATOM 819 O LYS A 54 7.556 14.077 -6.571 1.00 0.00 O ATOM 820 CB LYS A 54 6.913 15.929 -9.131 1.00 0.00 C ATOM 821 CG LYS A 54 5.959 16.921 -9.773 1.00 0.00 C ATOM 822 CD LYS A 54 5.651 16.545 -11.213 1.00 0.00 C ATOM 823 CE LYS A 54 4.626 17.487 -11.828 1.00 0.00 C ATOM 824 NZ LYS A 54 4.528 17.313 -13.303 1.00 0.00 N ATOM 0 H LYS A 54 7.881 18.038 -8.308 1.00 0.00 H new ATOM 0 HA LYS A 54 6.200 16.170 -7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.867 15.963 -9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.515 14.922 -9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.033 16.960 -9.200 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.395 17.919 -9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.569 16.570 -11.801 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.276 15.522 -11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.651 17.308 -11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.898 18.518 -11.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.039 18.132 -13.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.483 17.239 -13.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.994 16.446 -13.516 1.00 0.00 H new ATOM 838 N LEU A 55 9.355 15.310 -7.123 1.00 0.00 N ATOM 839 CA LEU A 55 10.315 14.342 -6.603 1.00 0.00 C ATOM 840 C LEU A 55 10.001 13.989 -5.153 1.00 0.00 C ATOM 841 O LEU A 55 9.803 12.822 -4.815 1.00 0.00 O ATOM 842 CB LEU A 55 11.737 14.897 -6.709 1.00 0.00 C ATOM 843 CG LEU A 55 12.483 14.589 -8.007 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.886 13.124 -8.056 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.627 14.949 -9.213 1.00 0.00 C ATOM 0 H LEU A 55 9.776 16.147 -7.526 1.00 0.00 H new ATOM 0 HA LEU A 55 10.240 13.435 -7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.693 15.979 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.321 14.506 -5.876 1.00 0.00 H new ATOM 0 HG LEU A 55 13.389 15.195 -8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.416 12.923 -8.987 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.537 12.897 -7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.994 12.499 -8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.174 14.723 -10.128 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.704 14.370 -9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.389 16.012 -9.186 1.00 0.00 H new ATOM 857 N LYS A 56 9.954 15.006 -4.299 1.00 0.00 N ATOM 858 CA LYS A 56 9.660 14.805 -2.885 1.00 0.00 C ATOM 859 C LYS A 56 8.504 13.827 -2.703 1.00 0.00 C ATOM 860 O LYS A 56 8.463 13.072 -1.732 1.00 0.00 O ATOM 861 CB LYS A 56 9.322 16.140 -2.218 1.00 0.00 C ATOM 862 CG LYS A 56 10.411 17.188 -2.370 1.00 0.00 C ATOM 863 CD LYS A 56 9.834 18.594 -2.385 1.00 0.00 C ATOM 864 CE LYS A 56 9.594 19.112 -0.975 1.00 0.00 C ATOM 865 NZ LYS A 56 10.848 19.612 -0.346 1.00 0.00 N ATOM 0 H LYS A 56 10.116 15.978 -4.562 1.00 0.00 H new ATOM 0 HA LYS A 56 10.547 14.384 -2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.396 16.526 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.138 15.970 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.124 17.095 -1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.962 17.010 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.517 19.263 -2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.896 18.598 -2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.857 19.915 -1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.173 18.315 -0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.642 19.956 0.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.543 18.840 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.236 20.390 -0.917 1.00 0.00 H new ATOM 879 N TYR A 57 7.566 13.845 -3.644 1.00 0.00 N ATOM 880 CA TYR A 57 6.408 12.961 -3.587 1.00 0.00 C ATOM 881 C TYR A 57 6.747 11.583 -4.148 1.00 0.00 C ATOM 882 O TYR A 57 6.379 10.560 -3.573 1.00 0.00 O ATOM 883 CB TYR A 57 5.238 13.567 -4.364 1.00 0.00 C ATOM 884 CG TYR A 57 4.345 14.450 -3.522 1.00 0.00 C ATOM 885 CD1 TYR A 57 4.645 15.793 -3.331 1.00 0.00 C ATOM 886 CD2 TYR A 57 3.202 13.942 -2.918 1.00 0.00 C ATOM 887 CE1 TYR A 57 3.833 16.604 -2.562 1.00 0.00 C ATOM 888 CE2 TYR A 57 2.383 14.746 -2.148 1.00 0.00 C ATOM 889 CZ TYR A 57 2.703 16.076 -1.973 1.00 0.00 C ATOM 890 OH TYR A 57 1.890 16.880 -1.207 1.00 0.00 O ATOM 0 H TYR A 57 7.585 14.463 -4.456 1.00 0.00 H new ATOM 0 HA TYR A 57 6.121 12.847 -2.542 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.629 14.150 -5.198 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.640 12.762 -4.791 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.528 16.210 -3.792 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.949 12.901 -3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.082 17.646 -2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.497 14.335 -1.686 1.00 0.00 H new ATOM 0 HH TYR A 57 1.137 16.354 -0.866 1.00 0.00 H new ATOM 900 N GLU A 58 7.451 11.567 -5.275 1.00 0.00 N ATOM 901 CA GLU A 58 7.840 10.316 -5.915 1.00 0.00 C ATOM 902 C GLU A 58 8.246 9.276 -4.874 1.00 0.00 C ATOM 903 O GLU A 58 7.669 8.191 -4.809 1.00 0.00 O ATOM 904 CB GLU A 58 8.994 10.553 -6.892 1.00 0.00 C ATOM 905 CG GLU A 58 8.546 11.072 -8.248 1.00 0.00 C ATOM 906 CD GLU A 58 9.663 11.064 -9.273 1.00 0.00 C ATOM 907 OE1 GLU A 58 10.582 10.228 -9.142 1.00 0.00 O ATOM 908 OE2 GLU A 58 9.619 11.893 -10.206 1.00 0.00 O ATOM 0 H GLU A 58 7.764 12.406 -5.764 1.00 0.00 H new ATOM 0 HA GLU A 58 6.979 9.937 -6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.691 11.266 -6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.539 9.619 -7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.720 10.461 -8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.167 12.088 -8.137 1.00 0.00 H new ATOM 915 N GLU A 59 9.243 9.617 -4.064 1.00 0.00 N ATOM 916 CA GLU A 59 9.727 8.712 -3.027 1.00 0.00 C ATOM 917 C GLU A 59 8.564 8.121 -2.235 1.00 0.00 C ATOM 918 O GLU A 59 8.462 6.904 -2.075 1.00 0.00 O ATOM 919 CB GLU A 59 10.681 9.446 -2.083 1.00 0.00 C ATOM 920 CG GLU A 59 12.032 9.758 -2.704 1.00 0.00 C ATOM 921 CD GLU A 59 12.049 11.091 -3.425 1.00 0.00 C ATOM 922 OE1 GLU A 59 11.519 11.161 -4.554 1.00 0.00 O ATOM 923 OE2 GLU A 59 12.593 12.064 -2.862 1.00 0.00 O ATOM 0 H GLU A 59 9.731 10.512 -4.105 1.00 0.00 H new ATOM 0 HA GLU A 59 10.264 7.897 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.215 10.377 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.832 8.840 -1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.794 9.761 -1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.297 8.967 -3.405 1.00 0.00 H new ATOM 930 N LYS A 60 7.690 8.990 -1.741 1.00 0.00 N ATOM 931 CA LYS A 60 6.534 8.557 -0.966 1.00 0.00 C ATOM 932 C LYS A 60 5.766 7.462 -1.699 1.00 0.00 C ATOM 933 O LYS A 60 5.353 6.471 -1.098 1.00 0.00 O ATOM 934 CB LYS A 60 5.608 9.743 -0.685 1.00 0.00 C ATOM 935 CG LYS A 60 6.174 10.732 0.319 1.00 0.00 C ATOM 936 CD LYS A 60 5.283 11.954 0.461 1.00 0.00 C ATOM 937 CE LYS A 60 4.038 11.645 1.278 1.00 0.00 C ATOM 938 NZ LYS A 60 3.149 12.833 1.405 1.00 0.00 N ATOM 0 H LYS A 60 7.760 10.000 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 60 6.894 8.153 -0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.405 10.264 -1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.654 9.368 -0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.283 10.246 1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.170 11.042 0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.842 12.759 0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.992 12.310 -0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.489 10.829 0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.331 11.303 2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.312 12.581 1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.665 13.604 1.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.849 13.145 0.459 1.00 0.00 H new ATOM 952 N ALA A 61 5.581 7.647 -3.002 1.00 0.00 N ATOM 953 CA ALA A 61 4.866 6.673 -3.818 1.00 0.00 C ATOM 954 C ALA A 61 5.614 5.345 -3.868 1.00 0.00 C ATOM 955 O ALA A 61 5.097 4.312 -3.439 1.00 0.00 O ATOM 956 CB ALA A 61 4.656 7.215 -5.224 1.00 0.00 C ATOM 0 H ALA A 61 5.916 8.462 -3.515 1.00 0.00 H new ATOM 0 HA ALA A 61 3.893 6.496 -3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.121 6.477 -5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.073 8.135 -5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.623 7.422 -5.683 1.00 0.00 H new ATOM 962 N THR A 62 6.834 5.377 -4.394 1.00 0.00 N ATOM 963 CA THR A 62 7.652 4.175 -4.501 1.00 0.00 C ATOM 964 C THR A 62 7.680 3.409 -3.184 1.00 0.00 C ATOM 965 O THR A 62 7.728 2.179 -3.169 1.00 0.00 O ATOM 966 CB THR A 62 9.097 4.514 -4.915 1.00 0.00 C ATOM 967 OG1 THR A 62 9.934 3.363 -4.758 1.00 0.00 O ATOM 968 CG2 THR A 62 9.643 5.663 -4.081 1.00 0.00 C ATOM 0 H THR A 62 7.278 6.222 -4.753 1.00 0.00 H new ATOM 0 HA THR A 62 7.197 3.552 -5.271 1.00 0.00 H new ATOM 0 HB THR A 62 9.090 4.817 -5.962 1.00 0.00 H new ATOM 0 HG1 THR A 62 10.850 3.586 -5.025 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.664 5.884 -4.391 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.020 6.546 -4.226 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.636 5.383 -3.028 1.00 0.00 H new ATOM 976 N LYS A 63 7.647 4.144 -2.077 1.00 0.00 N ATOM 977 CA LYS A 63 7.666 3.534 -0.753 1.00 0.00 C ATOM 978 C LYS A 63 6.608 2.440 -0.642 1.00 0.00 C ATOM 979 O LYS A 63 6.840 1.399 -0.027 1.00 0.00 O ATOM 980 CB LYS A 63 7.431 4.596 0.324 1.00 0.00 C ATOM 981 CG LYS A 63 8.125 4.291 1.640 1.00 0.00 C ATOM 982 CD LYS A 63 9.628 4.485 1.536 1.00 0.00 C ATOM 983 CE LYS A 63 10.356 3.843 2.708 1.00 0.00 C ATOM 984 NZ LYS A 63 10.346 4.718 3.913 1.00 0.00 N ATOM 0 H LYS A 63 7.607 5.163 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 63 8.647 3.083 -0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.780 5.560 -0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.360 4.691 0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.727 4.939 2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.909 3.265 1.937 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.988 4.053 0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.857 5.550 1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.887 2.889 2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.386 3.629 2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.852 4.245 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.816 5.619 3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.364 4.901 4.201 1.00 0.00 H new ATOM 998 N ASP A 64 5.448 2.683 -1.242 1.00 0.00 N ATOM 999 CA ASP A 64 4.356 1.717 -1.213 1.00 0.00 C ATOM 1000 C ASP A 64 4.571 0.622 -2.253 1.00 0.00 C ATOM 1001 O ASP A 64 4.286 -0.550 -2.004 1.00 0.00 O ATOM 1002 CB ASP A 64 3.020 2.419 -1.462 1.00 0.00 C ATOM 1003 CG ASP A 64 1.852 1.676 -0.843 1.00 0.00 C ATOM 1004 OD1 ASP A 64 1.821 0.431 -0.941 1.00 0.00 O ATOM 1005 OD2 ASP A 64 0.970 2.340 -0.260 1.00 0.00 O ATOM 0 H ASP A 64 5.240 3.540 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 64 4.337 1.256 -0.225 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.062 3.429 -1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.858 2.515 -2.536 1.00 0.00 H new ATOM 1010 N LEU A 65 5.074 1.011 -3.419 1.00 0.00 N ATOM 1011 CA LEU A 65 5.327 0.063 -4.499 1.00 0.00 C ATOM 1012 C LEU A 65 5.939 -1.226 -3.959 1.00 0.00 C ATOM 1013 O LEU A 65 5.529 -2.323 -4.336 1.00 0.00 O ATOM 1014 CB LEU A 65 6.256 0.684 -5.543 1.00 0.00 C ATOM 1015 CG LEU A 65 6.774 -0.261 -6.628 1.00 0.00 C ATOM 1016 CD1 LEU A 65 5.637 -0.708 -7.533 1.00 0.00 C ATOM 1017 CD2 LEU A 65 7.872 0.409 -7.440 1.00 0.00 C ATOM 0 H LEU A 65 5.315 1.977 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 65 4.373 -0.178 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.728 1.506 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.113 1.116 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 65 7.195 -1.143 -6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.024 -1.380 -8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.884 -1.228 -6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.187 0.163 -8.009 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.228 -0.279 -8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.477 1.308 -7.913 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.698 0.678 -6.782 1.00 0.00 H new