USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 991 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -163:sc= -0.341 (180deg=-0.952) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -53:sc= -1 USER MOD Single : A 35 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.027) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 17:sc= 0.584 USER MOD Single : A 55 GLN : amide:sc= 0.607 K(o=0.61,f=-4!) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 62 SER OG : rot 1:sc= 0.998 USER MOD Single : A 63 MET CE :methyl -171:sc= 0 (180deg=-0.085) USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= 1.11 (180deg=0.306) USER MOD Single : A 72 LYS NZ :NH3+ -139:sc= -0.0631 (180deg=-0.4) USER MOD Single : A 73 SER OG : rot 54:sc= 0.802 USER MOD Single : A 76 TYR OH : rot 42:sc= 0.632 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 86 ASN : amide:sc= 0.284 K(o=0.28,f=-1.5!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.00432 USER MOD Single : A 96 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-4.8!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 110 LYS NZ :NH3+ -170:sc=-0.00376 (180deg=-0.0965) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -85:sc= 1.05 USER MOD Single : A 116 SER OG : rot 82:sc= 1.23 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -96:sc= 1.26 USER MOD Single : A 131 GLN :FLIP amide:sc= -0.148 F(o=-0.96,f=-0.15) USER MOD Single : A 133 TYR OH : rot 61:sc= 0.878 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.0914 USER MOD ----------------------------------------------------------------- ATOM 215 N TYR A 14 -6.549 -12.284 -8.340 1.00 0.00 N ATOM 216 CA TYR A 14 -7.409 -11.169 -7.975 1.00 0.00 C ATOM 217 C TYR A 14 -6.949 -9.897 -8.683 1.00 0.00 C ATOM 218 O TYR A 14 -5.876 -9.365 -8.392 1.00 0.00 O ATOM 219 CB TYR A 14 -7.398 -10.952 -6.460 1.00 0.00 C ATOM 220 CG TYR A 14 -7.988 -12.088 -5.655 1.00 0.00 C ATOM 221 CD1 TYR A 14 -7.200 -13.150 -5.234 1.00 0.00 C ATOM 222 CD2 TYR A 14 -9.332 -12.087 -5.302 1.00 0.00 C ATOM 223 CE1 TYR A 14 -7.732 -14.182 -4.486 1.00 0.00 C ATOM 224 CE2 TYR A 14 -9.872 -13.113 -4.552 1.00 0.00 C ATOM 225 CZ TYR A 14 -9.068 -14.158 -4.146 1.00 0.00 C ATOM 226 OH TYR A 14 -9.602 -15.182 -3.395 1.00 0.00 O ATOM 0 HA TYR A 14 -8.427 -11.405 -8.286 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.369 -10.792 -6.137 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.949 -10.039 -6.233 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.152 -13.170 -5.496 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.964 -11.271 -5.619 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.105 -15.003 -4.169 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.918 -13.097 -4.285 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.555 -15.013 -3.242 1.00 0.00 H new ATOM 236 N ALA A 15 -7.752 -9.427 -9.624 1.00 0.00 N ATOM 237 CA ALA A 15 -7.432 -8.227 -10.379 1.00 0.00 C ATOM 238 C ALA A 15 -8.693 -7.437 -10.680 1.00 0.00 C ATOM 239 O ALA A 15 -9.676 -7.994 -11.162 1.00 0.00 O ATOM 240 CB ALA A 15 -6.723 -8.594 -11.672 1.00 0.00 C ATOM 0 H ALA A 15 -8.637 -9.863 -9.884 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.768 -7.606 -9.777 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.489 -7.687 -12.229 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.801 -9.127 -11.442 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.371 -9.232 -12.274 1.00 0.00 H new ATOM 246 N MET A 16 -8.668 -6.145 -10.394 1.00 0.00 N ATOM 247 CA MET A 16 -9.819 -5.297 -10.646 1.00 0.00 C ATOM 248 C MET A 16 -9.835 -4.846 -12.099 1.00 0.00 C ATOM 249 O MET A 16 -9.126 -3.915 -12.488 1.00 0.00 O ATOM 250 CB MET A 16 -9.824 -4.088 -9.713 1.00 0.00 C ATOM 251 CG MET A 16 -10.979 -3.130 -9.971 1.00 0.00 C ATOM 252 SD MET A 16 -11.093 -1.828 -8.731 1.00 0.00 S ATOM 253 CE MET A 16 -11.463 -2.794 -7.269 1.00 0.00 C ATOM 0 H MET A 16 -7.866 -5.663 -9.989 1.00 0.00 H new ATOM 0 HA MET A 16 -10.719 -5.879 -10.449 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.873 -4.435 -8.681 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.883 -3.549 -9.824 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.858 -2.679 -10.956 1.00 0.00 H new ATOM 0 HG3 MET A 16 -11.913 -3.691 -9.990 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.857 -2.140 -6.491 1.00 0.00 H new ATOM 0 HE2 MET A 16 -12.204 -3.555 -7.514 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.553 -3.276 -6.911 1.00 0.00 H new ATOM 263 N LYS A 17 -10.629 -5.533 -12.898 1.00 0.00 N ATOM 264 CA LYS A 17 -10.755 -5.225 -14.309 1.00 0.00 C ATOM 265 C LYS A 17 -12.221 -5.247 -14.718 1.00 0.00 C ATOM 266 O LYS A 17 -13.002 -6.054 -14.203 1.00 0.00 O ATOM 267 CB LYS A 17 -9.948 -6.231 -15.138 1.00 0.00 C ATOM 268 CG LYS A 17 -10.239 -7.682 -14.785 1.00 0.00 C ATOM 269 CD LYS A 17 -9.410 -8.646 -15.615 1.00 0.00 C ATOM 270 CE LYS A 17 -9.577 -10.074 -15.127 1.00 0.00 C ATOM 271 NZ LYS A 17 -8.794 -11.037 -15.944 1.00 0.00 N ATOM 0 H LYS A 17 -11.203 -6.317 -12.588 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.359 -4.226 -14.494 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.162 -6.073 -16.195 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.885 -6.037 -14.995 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.034 -7.846 -13.727 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.298 -7.888 -14.940 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.709 -8.579 -16.661 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.359 -8.362 -15.565 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.261 -10.141 -14.086 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.632 -10.346 -15.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.936 -12.000 -15.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.113 -10.993 -16.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.784 -10.793 -15.895 1.00 0.00 H new ATOM 285 N PRO A 18 -12.622 -4.341 -15.622 1.00 0.00 N ATOM 286 CA PRO A 18 -13.993 -4.284 -16.128 1.00 0.00 C ATOM 287 C PRO A 18 -14.403 -5.600 -16.782 1.00 0.00 C ATOM 288 O PRO A 18 -13.809 -6.029 -17.776 1.00 0.00 O ATOM 289 CB PRO A 18 -13.966 -3.147 -17.159 1.00 0.00 C ATOM 290 CG PRO A 18 -12.523 -2.912 -17.457 1.00 0.00 C ATOM 291 CD PRO A 18 -11.772 -3.297 -16.216 1.00 0.00 C ATOM 0 HA PRO A 18 -14.718 -4.114 -15.332 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.513 -3.422 -18.061 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.436 -2.247 -16.763 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.199 -3.509 -18.309 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.343 -1.868 -17.713 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.775 -3.672 -16.448 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.645 -2.449 -15.543 1.00 0.00 H new ATOM 299 N GLY A 19 -15.409 -6.238 -16.209 1.00 0.00 N ATOM 300 CA GLY A 19 -15.854 -7.527 -16.693 1.00 0.00 C ATOM 301 C GLY A 19 -16.208 -8.455 -15.553 1.00 0.00 C ATOM 302 O GLY A 19 -16.888 -9.465 -15.745 1.00 0.00 O ATOM 0 H GLY A 19 -15.931 -5.882 -15.408 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.722 -7.394 -17.339 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.070 -7.979 -17.301 1.00 0.00 H new ATOM 306 N LEU A 20 -15.737 -8.111 -14.364 1.00 0.00 N ATOM 307 CA LEU A 20 -16.037 -8.885 -13.169 1.00 0.00 C ATOM 308 C LEU A 20 -17.424 -8.541 -12.650 1.00 0.00 C ATOM 309 O LEU A 20 -17.946 -7.458 -12.918 1.00 0.00 O ATOM 310 CB LEU A 20 -15.012 -8.606 -12.070 1.00 0.00 C ATOM 311 CG LEU A 20 -13.561 -8.937 -12.412 1.00 0.00 C ATOM 312 CD1 LEU A 20 -12.662 -8.594 -11.236 1.00 0.00 C ATOM 313 CD2 LEU A 20 -13.420 -10.407 -12.789 1.00 0.00 C ATOM 0 H LEU A 20 -15.143 -7.298 -14.201 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.997 -9.941 -13.437 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.071 -7.550 -11.805 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.295 -9.174 -11.184 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.256 -8.339 -13.271 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.628 -8.833 -11.486 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.745 -7.530 -11.013 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.967 -9.173 -10.364 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.379 -10.623 -13.029 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.736 -11.029 -11.952 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -14.044 -10.622 -13.656 1.00 0.00 H new ATOM 325 N SER A 21 -18.021 -9.464 -11.918 1.00 0.00 N ATOM 326 CA SER A 21 -19.295 -9.213 -11.270 1.00 0.00 C ATOM 327 C SER A 21 -19.074 -8.457 -9.962 1.00 0.00 C ATOM 328 O SER A 21 -17.934 -8.311 -9.508 1.00 0.00 O ATOM 329 CB SER A 21 -20.015 -10.535 -11.009 1.00 0.00 C ATOM 330 OG SER A 21 -20.119 -11.293 -12.202 1.00 0.00 O ATOM 0 H SER A 21 -17.642 -10.397 -11.757 1.00 0.00 H new ATOM 0 HA SER A 21 -19.916 -8.601 -11.924 1.00 0.00 H new ATOM 0 HB2 SER A 21 -19.474 -11.107 -10.255 1.00 0.00 H new ATOM 0 HB3 SER A 21 -21.010 -10.340 -10.608 1.00 0.00 H new ATOM 0 HG SER A 21 -20.581 -12.137 -12.014 1.00 0.00 H new ATOM 336 N ALA A 22 -20.156 -7.979 -9.362 1.00 0.00 N ATOM 337 CA ALA A 22 -20.077 -7.220 -8.118 1.00 0.00 C ATOM 338 C ALA A 22 -19.476 -8.064 -6.997 1.00 0.00 C ATOM 339 O ALA A 22 -18.610 -7.598 -6.257 1.00 0.00 O ATOM 340 CB ALA A 22 -21.454 -6.708 -7.724 1.00 0.00 C ATOM 0 H ALA A 22 -21.104 -8.104 -9.718 1.00 0.00 H new ATOM 0 HA ALA A 22 -19.420 -6.365 -8.282 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -21.380 -6.144 -6.794 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.841 -6.061 -8.511 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -22.129 -7.552 -7.583 1.00 0.00 H new ATOM 346 N LEU A 23 -19.921 -9.313 -6.895 1.00 0.00 N ATOM 347 CA LEU A 23 -19.413 -10.225 -5.875 1.00 0.00 C ATOM 348 C LEU A 23 -17.933 -10.532 -6.100 1.00 0.00 C ATOM 349 O LEU A 23 -17.180 -10.730 -5.142 1.00 0.00 O ATOM 350 CB LEU A 23 -20.226 -11.523 -5.869 1.00 0.00 C ATOM 351 CG LEU A 23 -21.695 -11.366 -5.465 1.00 0.00 C ATOM 352 CD1 LEU A 23 -22.417 -12.705 -5.527 1.00 0.00 C ATOM 353 CD2 LEU A 23 -21.801 -10.767 -4.071 1.00 0.00 C ATOM 0 H LEU A 23 -20.632 -9.716 -7.505 1.00 0.00 H new ATOM 0 HA LEU A 23 -19.516 -9.737 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.184 -11.965 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -19.751 -12.228 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 23 -22.174 -10.688 -6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -23.459 -12.570 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -22.372 -13.096 -6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -21.938 -13.408 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -22.851 -10.662 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -21.304 -11.422 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -21.323 -9.787 -4.059 1.00 0.00 H new ATOM 365 N GLU A 24 -17.521 -10.558 -7.367 1.00 0.00 N ATOM 366 CA GLU A 24 -16.121 -10.780 -7.712 1.00 0.00 C ATOM 367 C GLU A 24 -15.273 -9.627 -7.195 1.00 0.00 C ATOM 368 O GLU A 24 -14.259 -9.832 -6.530 1.00 0.00 O ATOM 369 CB GLU A 24 -15.942 -10.905 -9.229 1.00 0.00 C ATOM 370 CG GLU A 24 -16.751 -12.026 -9.859 1.00 0.00 C ATOM 371 CD GLU A 24 -16.389 -13.392 -9.315 1.00 0.00 C ATOM 372 OE1 GLU A 24 -16.994 -13.811 -8.310 1.00 0.00 O ATOM 373 OE2 GLU A 24 -15.506 -14.056 -9.895 1.00 0.00 O ATOM 0 H GLU A 24 -18.137 -10.428 -8.169 1.00 0.00 H new ATOM 0 HA GLU A 24 -15.800 -11.712 -7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -16.224 -9.961 -9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.886 -11.066 -9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -17.812 -11.842 -9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.596 -12.017 -10.938 1.00 0.00 H new ATOM 380 N LYS A 25 -15.714 -8.410 -7.497 1.00 0.00 N ATOM 381 CA LYS A 25 -15.009 -7.211 -7.072 1.00 0.00 C ATOM 382 C LYS A 25 -15.029 -7.079 -5.556 1.00 0.00 C ATOM 383 O LYS A 25 -14.057 -6.623 -4.955 1.00 0.00 O ATOM 384 CB LYS A 25 -15.627 -5.966 -7.713 1.00 0.00 C ATOM 385 CG LYS A 25 -15.476 -5.918 -9.223 1.00 0.00 C ATOM 386 CD LYS A 25 -16.095 -4.657 -9.803 1.00 0.00 C ATOM 387 CE LYS A 25 -15.923 -4.598 -11.313 1.00 0.00 C ATOM 388 NZ LYS A 25 -16.563 -3.392 -11.899 1.00 0.00 N ATOM 0 H LYS A 25 -16.560 -8.230 -8.037 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.973 -7.298 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -16.687 -5.927 -7.461 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.164 -5.078 -7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.419 -5.960 -9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.950 -6.794 -9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -17.156 -4.623 -9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.633 -3.781 -9.348 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.861 -4.600 -11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.355 -5.492 -11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.422 -3.390 -12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.581 -3.402 -11.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.134 -2.538 -11.490 1.00 0.00 H new ATOM 402 N ASN A 26 -16.137 -7.483 -4.944 1.00 0.00 N ATOM 403 CA ASN A 26 -16.271 -7.453 -3.490 1.00 0.00 C ATOM 404 C ASN A 26 -15.176 -8.307 -2.852 1.00 0.00 C ATOM 405 O ASN A 26 -14.509 -7.881 -1.907 1.00 0.00 O ATOM 406 CB ASN A 26 -17.664 -7.958 -3.085 1.00 0.00 C ATOM 407 CG ASN A 26 -18.012 -7.691 -1.626 1.00 0.00 C ATOM 408 OD1 ASN A 26 -17.147 -7.670 -0.751 1.00 0.00 O ATOM 409 ND2 ASN A 26 -19.291 -7.477 -1.354 1.00 0.00 N ATOM 0 H ASN A 26 -16.959 -7.837 -5.434 1.00 0.00 H new ATOM 0 HA ASN A 26 -16.160 -6.428 -3.135 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -18.412 -7.483 -3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.721 -9.030 -3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -19.584 -7.288 -0.395 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -19.983 -7.502 -2.103 1.00 0.00 H new ATOM 416 N ALA A 27 -14.965 -9.497 -3.408 1.00 0.00 N ATOM 417 CA ALA A 27 -13.927 -10.398 -2.920 1.00 0.00 C ATOM 418 C ALA A 27 -12.539 -9.808 -3.147 1.00 0.00 C ATOM 419 O ALA A 27 -11.659 -9.924 -2.294 1.00 0.00 O ATOM 420 CB ALA A 27 -14.045 -11.759 -3.594 1.00 0.00 C ATOM 0 H ALA A 27 -15.500 -9.859 -4.197 1.00 0.00 H new ATOM 0 HA ALA A 27 -14.067 -10.527 -1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.263 -12.420 -3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.021 -12.191 -3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.935 -11.642 -4.672 1.00 0.00 H new ATOM 426 N VAL A 28 -12.357 -9.167 -4.300 1.00 0.00 N ATOM 427 CA VAL A 28 -11.096 -8.508 -4.634 1.00 0.00 C ATOM 428 C VAL A 28 -10.767 -7.412 -3.623 1.00 0.00 C ATOM 429 O VAL A 28 -9.661 -7.361 -3.082 1.00 0.00 O ATOM 430 CB VAL A 28 -11.143 -7.903 -6.059 1.00 0.00 C ATOM 431 CG1 VAL A 28 -9.937 -7.013 -6.324 1.00 0.00 C ATOM 432 CG2 VAL A 28 -11.221 -9.006 -7.106 1.00 0.00 C ATOM 0 H VAL A 28 -13.072 -9.090 -5.023 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.314 -9.267 -4.600 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.040 -7.287 -6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.001 -6.604 -7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.922 -6.197 -5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.024 -7.600 -6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.253 -8.562 -8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.344 -9.648 -7.024 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.121 -9.598 -6.944 1.00 0.00 H new ATOM 442 N ILE A 29 -11.736 -6.548 -3.359 1.00 0.00 N ATOM 443 CA ILE A 29 -11.539 -5.437 -2.439 1.00 0.00 C ATOM 444 C ILE A 29 -11.316 -5.938 -1.011 1.00 0.00 C ATOM 445 O ILE A 29 -10.458 -5.424 -0.291 1.00 0.00 O ATOM 446 CB ILE A 29 -12.736 -4.462 -2.476 1.00 0.00 C ATOM 447 CG1 ILE A 29 -12.930 -3.921 -3.897 1.00 0.00 C ATOM 448 CG2 ILE A 29 -12.524 -3.316 -1.496 1.00 0.00 C ATOM 449 CD1 ILE A 29 -14.113 -2.986 -4.041 1.00 0.00 C ATOM 0 H ILE A 29 -12.668 -6.595 -3.770 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.647 -4.901 -2.763 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.635 -5.003 -2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.025 -3.396 -4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.057 -4.760 -4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.378 -2.640 -1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.424 -3.714 -0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.618 -2.772 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.184 -2.646 -5.074 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.028 -3.512 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.979 -2.126 -3.384 1.00 0.00 H new ATOM 461 N LYS A 30 -12.069 -6.960 -0.612 1.00 0.00 N ATOM 462 CA LYS A 30 -11.924 -7.533 0.721 1.00 0.00 C ATOM 463 C LYS A 30 -10.544 -8.166 0.877 1.00 0.00 C ATOM 464 O LYS A 30 -9.936 -8.104 1.950 1.00 0.00 O ATOM 465 CB LYS A 30 -13.015 -8.575 0.982 1.00 0.00 C ATOM 466 CG LYS A 30 -13.082 -9.037 2.429 1.00 0.00 C ATOM 467 CD LYS A 30 -14.150 -10.097 2.630 1.00 0.00 C ATOM 468 CE LYS A 30 -14.269 -10.490 4.094 1.00 0.00 C ATOM 469 NZ LYS A 30 -15.207 -11.625 4.291 1.00 0.00 N ATOM 0 H LYS A 30 -12.782 -7.406 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.029 -6.732 1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.981 -8.157 0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.841 -9.439 0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.113 -9.435 2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.290 -8.184 3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.109 -9.722 2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.909 -10.977 2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.286 -10.762 4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.611 -9.632 4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.259 -11.861 5.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.152 -11.358 3.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.868 -12.452 3.760 1.00 0.00 H new ATOM 483 N ALA A 31 -10.046 -8.757 -0.204 1.00 0.00 N ATOM 484 CA ALA A 31 -8.719 -9.360 -0.207 1.00 0.00 C ATOM 485 C ALA A 31 -7.639 -8.292 -0.074 1.00 0.00 C ATOM 486 O ALA A 31 -6.581 -8.538 0.501 1.00 0.00 O ATOM 487 CB ALA A 31 -8.501 -10.172 -1.473 1.00 0.00 C ATOM 0 H ALA A 31 -10.543 -8.831 -1.091 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.651 -10.029 0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.505 -10.613 -1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.248 -10.964 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.594 -9.522 -2.343 1.00 0.00 H new ATOM 493 N ALA A 32 -7.913 -7.108 -0.609 1.00 0.00 N ATOM 494 CA ALA A 32 -6.983 -5.991 -0.506 1.00 0.00 C ATOM 495 C ALA A 32 -6.808 -5.575 0.950 1.00 0.00 C ATOM 496 O ALA A 32 -5.686 -5.374 1.418 1.00 0.00 O ATOM 497 CB ALA A 32 -7.459 -4.814 -1.345 1.00 0.00 C ATOM 0 H ALA A 32 -8.771 -6.897 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.016 -6.314 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.750 -3.991 -1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.530 -5.117 -2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.439 -4.489 -0.994 1.00 0.00 H new ATOM 503 N TYR A 33 -7.924 -5.464 1.665 1.00 0.00 N ATOM 504 CA TYR A 33 -7.893 -5.151 3.089 1.00 0.00 C ATOM 505 C TYR A 33 -7.138 -6.233 3.849 1.00 0.00 C ATOM 506 O TYR A 33 -6.296 -5.943 4.700 1.00 0.00 O ATOM 507 CB TYR A 33 -9.306 -5.048 3.666 1.00 0.00 C ATOM 508 CG TYR A 33 -10.146 -3.928 3.103 1.00 0.00 C ATOM 509 CD1 TYR A 33 -9.759 -2.603 3.244 1.00 0.00 C ATOM 510 CD2 TYR A 33 -11.335 -4.197 2.439 1.00 0.00 C ATOM 511 CE1 TYR A 33 -10.532 -1.579 2.736 1.00 0.00 C ATOM 512 CE2 TYR A 33 -12.112 -3.178 1.930 1.00 0.00 C ATOM 513 CZ TYR A 33 -11.708 -1.872 2.081 1.00 0.00 C ATOM 514 OH TYR A 33 -12.478 -0.856 1.574 1.00 0.00 O ATOM 0 H TYR A 33 -8.861 -5.586 1.281 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.390 -4.190 3.201 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.823 -5.992 3.492 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.233 -4.919 4.746 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.839 -2.370 3.759 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.657 -5.221 2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.217 -0.553 2.851 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.034 -3.404 1.415 1.00 0.00 H new ATOM 0 HH TYR A 33 -12.665 -0.203 2.281 1.00 0.00 H new ATOM 524 N ARG A 34 -7.439 -7.482 3.520 1.00 0.00 N ATOM 525 CA ARG A 34 -6.859 -8.622 4.212 1.00 0.00 C ATOM 526 C ARG A 34 -5.363 -8.743 3.920 1.00 0.00 C ATOM 527 O ARG A 34 -4.623 -9.356 4.686 1.00 0.00 O ATOM 528 CB ARG A 34 -7.583 -9.904 3.796 1.00 0.00 C ATOM 529 CG ARG A 34 -7.439 -11.040 4.797 1.00 0.00 C ATOM 530 CD ARG A 34 -8.131 -12.300 4.305 1.00 0.00 C ATOM 531 NE ARG A 34 -8.246 -13.309 5.356 1.00 0.00 N ATOM 532 CZ ARG A 34 -7.736 -14.537 5.273 1.00 0.00 C ATOM 533 NH1 ARG A 34 -6.983 -14.891 4.233 1.00 0.00 N ATOM 534 NH2 ARG A 34 -7.955 -15.409 6.245 1.00 0.00 N ATOM 0 H ARG A 34 -8.087 -7.731 2.772 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.981 -8.470 5.284 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.642 -9.685 3.659 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.198 -10.231 2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.382 -11.246 4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.864 -10.740 5.755 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.125 -12.047 3.936 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.574 -12.714 3.464 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.749 -13.057 6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.792 -14.219 3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.598 -15.834 4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.513 -15.140 7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.566 -16.350 6.184 1.00 0.00 H new ATOM 548 N GLN A 35 -4.923 -8.158 2.814 1.00 0.00 N ATOM 549 CA GLN A 35 -3.515 -8.201 2.438 1.00 0.00 C ATOM 550 C GLN A 35 -2.737 -7.070 3.109 1.00 0.00 C ATOM 551 O GLN A 35 -1.656 -7.287 3.654 1.00 0.00 O ATOM 552 CB GLN A 35 -3.373 -8.089 0.917 1.00 0.00 C ATOM 553 CG GLN A 35 -1.940 -8.199 0.416 1.00 0.00 C ATOM 554 CD GLN A 35 -1.340 -9.573 0.648 1.00 0.00 C ATOM 555 OE1 GLN A 35 -0.735 -9.838 1.685 1.00 0.00 O ATOM 556 NE2 GLN A 35 -1.504 -10.456 -0.324 1.00 0.00 N ATOM 0 H GLN A 35 -5.519 -7.649 2.162 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.104 -9.153 2.772 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.971 -8.871 0.449 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.787 -7.134 0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.914 -7.971 -0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.326 -7.450 0.917 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.013 -10.196 -1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.122 -11.397 -0.228 1.00 0.00 H new ATOM 565 N ILE A 36 -3.305 -5.868 3.083 1.00 0.00 N ATOM 566 CA ILE A 36 -2.628 -4.690 3.612 1.00 0.00 C ATOM 567 C ILE A 36 -2.682 -4.654 5.135 1.00 0.00 C ATOM 568 O ILE A 36 -1.670 -4.424 5.799 1.00 0.00 O ATOM 569 CB ILE A 36 -3.236 -3.389 3.036 1.00 0.00 C ATOM 570 CG1 ILE A 36 -3.092 -3.370 1.510 1.00 0.00 C ATOM 571 CG2 ILE A 36 -2.582 -2.158 3.650 1.00 0.00 C ATOM 572 CD1 ILE A 36 -1.659 -3.505 1.026 1.00 0.00 C ATOM 0 H ILE A 36 -4.233 -5.685 2.701 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.585 -4.756 3.303 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.296 -3.366 3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.686 -4.181 1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.508 -2.438 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.029 -1.259 3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.734 -2.165 4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.514 -2.168 3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.639 -3.483 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.064 -2.680 1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.244 -4.450 1.377 1.00 0.00 H new ATOM 584 N PHE A 37 -3.864 -4.894 5.687 1.00 0.00 N ATOM 585 CA PHE A 37 -4.045 -4.874 7.132 1.00 0.00 C ATOM 586 C PHE A 37 -3.712 -6.231 7.735 1.00 0.00 C ATOM 587 O PHE A 37 -3.534 -6.354 8.948 1.00 0.00 O ATOM 588 CB PHE A 37 -5.480 -4.478 7.490 1.00 0.00 C ATOM 589 CG PHE A 37 -5.858 -3.094 7.038 1.00 0.00 C ATOM 590 CD1 PHE A 37 -5.486 -1.985 7.779 1.00 0.00 C ATOM 591 CD2 PHE A 37 -6.588 -2.902 5.874 1.00 0.00 C ATOM 592 CE1 PHE A 37 -5.832 -0.711 7.369 1.00 0.00 C ATOM 593 CE2 PHE A 37 -6.937 -1.632 5.459 1.00 0.00 C ATOM 594 CZ PHE A 37 -6.558 -0.533 6.207 1.00 0.00 C ATOM 0 H PHE A 37 -4.710 -5.104 5.157 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.363 -4.132 7.547 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.167 -5.196 7.044 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.607 -4.545 8.571 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.919 -2.117 8.688 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.887 -3.756 5.285 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.535 0.145 7.957 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.506 -1.497 4.551 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.829 0.461 5.884 1.00 0.00 H new ATOM 604 N GLU A 38 -3.634 -7.242 6.869 1.00 0.00 N ATOM 605 CA GLU A 38 -3.294 -8.611 7.269 1.00 0.00 C ATOM 606 C GLU A 38 -4.339 -9.192 8.219 1.00 0.00 C ATOM 607 O GLU A 38 -4.043 -10.096 9.002 1.00 0.00 O ATOM 608 CB GLU A 38 -1.908 -8.661 7.922 1.00 0.00 C ATOM 609 CG GLU A 38 -0.788 -8.182 7.015 1.00 0.00 C ATOM 610 CD GLU A 38 0.573 -8.288 7.668 1.00 0.00 C ATOM 611 OE1 GLU A 38 0.776 -7.681 8.740 1.00 0.00 O ATOM 612 OE2 GLU A 38 1.456 -8.966 7.110 1.00 0.00 O ATOM 0 H GLU A 38 -3.805 -7.136 5.869 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.280 -9.219 6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.919 -8.050 8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.699 -9.685 8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.793 -8.769 6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.972 -7.145 6.732 1.00 0.00 H new ATOM 720 N TYR A 45 -14.840 -0.063 11.561 1.00 0.00 N ATOM 721 CA TYR A 45 -13.682 0.423 10.820 1.00 0.00 C ATOM 722 C TYR A 45 -13.973 1.728 10.086 1.00 0.00 C ATOM 723 O TYR A 45 -13.950 1.786 8.859 1.00 0.00 O ATOM 724 CB TYR A 45 -13.155 -0.639 9.859 1.00 0.00 C ATOM 725 CG TYR A 45 -12.199 -1.594 10.529 1.00 0.00 C ATOM 726 CD1 TYR A 45 -12.661 -2.711 11.210 1.00 0.00 C ATOM 727 CD2 TYR A 45 -10.832 -1.359 10.503 1.00 0.00 C ATOM 728 CE1 TYR A 45 -11.787 -3.566 11.848 1.00 0.00 C ATOM 729 CE2 TYR A 45 -9.951 -2.213 11.133 1.00 0.00 C ATOM 730 CZ TYR A 45 -10.434 -3.313 11.804 1.00 0.00 C ATOM 731 OH TYR A 45 -9.560 -4.156 12.447 1.00 0.00 O ATOM 0 HA TYR A 45 -12.904 0.634 11.553 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.993 -1.199 9.445 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.653 -0.152 9.023 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.721 -2.914 11.241 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.452 -0.493 9.981 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.161 -4.429 12.379 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.889 -2.020 11.100 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.643 -3.837 12.317 1.00 0.00 H new ATOM 741 N SER A 46 -14.261 2.764 10.869 1.00 0.00 N ATOM 742 CA SER A 46 -14.417 4.127 10.366 1.00 0.00 C ATOM 743 C SER A 46 -15.488 4.234 9.277 1.00 0.00 C ATOM 744 O SER A 46 -16.274 3.315 9.057 1.00 0.00 O ATOM 745 CB SER A 46 -13.073 4.630 9.831 1.00 0.00 C ATOM 746 OG SER A 46 -12.064 4.542 10.822 1.00 0.00 O ATOM 0 H SER A 46 -14.394 2.682 11.877 1.00 0.00 H new ATOM 0 HA SER A 46 -14.748 4.748 11.198 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.783 4.044 8.959 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.174 5.664 9.501 1.00 0.00 H new ATOM 0 HG SER A 46 -11.216 4.867 10.455 1.00 0.00 H new ATOM 752 N GLN A 47 -15.536 5.389 8.629 1.00 0.00 N ATOM 753 CA GLN A 47 -16.422 5.590 7.490 1.00 0.00 C ATOM 754 C GLN A 47 -15.618 5.588 6.195 1.00 0.00 C ATOM 755 O GLN A 47 -16.128 5.237 5.132 1.00 0.00 O ATOM 756 CB GLN A 47 -17.182 6.912 7.630 1.00 0.00 C ATOM 757 CG GLN A 47 -18.078 6.977 8.857 1.00 0.00 C ATOM 758 CD GLN A 47 -18.771 8.318 9.004 1.00 0.00 C ATOM 759 OE1 GLN A 47 -18.256 9.231 9.653 1.00 0.00 O ATOM 760 NE2 GLN A 47 -19.938 8.445 8.397 1.00 0.00 N ATOM 0 H GLN A 47 -14.971 6.203 8.872 1.00 0.00 H new ATOM 0 HA GLN A 47 -17.143 4.773 7.463 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -16.464 7.731 7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -17.790 7.067 6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.829 6.189 8.796 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -17.482 6.781 9.748 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -20.327 7.663 7.870 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -20.450 9.325 8.455 1.00 0.00 H new ATOM 769 N SER A 48 -14.348 5.957 6.311 1.00 0.00 N ATOM 770 CA SER A 48 -13.465 6.093 5.159 1.00 0.00 C ATOM 771 C SER A 48 -13.248 4.761 4.449 1.00 0.00 C ATOM 772 O SER A 48 -13.061 4.726 3.238 1.00 0.00 O ATOM 773 CB SER A 48 -12.124 6.673 5.610 1.00 0.00 C ATOM 774 OG SER A 48 -12.323 7.874 6.335 1.00 0.00 O ATOM 0 H SER A 48 -13.902 6.170 7.203 1.00 0.00 H new ATOM 0 HA SER A 48 -13.940 6.768 4.447 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.598 5.949 6.232 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.493 6.865 4.742 1.00 0.00 H new ATOM 0 HG SER A 48 -11.456 8.232 6.618 1.00 0.00 H new ATOM 780 N ILE A 49 -13.290 3.668 5.200 1.00 0.00 N ATOM 781 CA ILE A 49 -13.078 2.344 4.632 1.00 0.00 C ATOM 782 C ILE A 49 -14.113 2.038 3.549 1.00 0.00 C ATOM 783 O ILE A 49 -13.762 1.790 2.396 1.00 0.00 O ATOM 784 CB ILE A 49 -13.112 1.261 5.734 1.00 0.00 C ATOM 785 CG1 ILE A 49 -11.918 1.435 6.680 1.00 0.00 C ATOM 786 CG2 ILE A 49 -13.121 -0.140 5.143 1.00 0.00 C ATOM 787 CD1 ILE A 49 -10.570 1.369 5.991 1.00 0.00 C ATOM 0 H ILE A 49 -13.469 3.673 6.204 1.00 0.00 H new ATOM 0 HA ILE A 49 -12.091 2.334 4.170 1.00 0.00 H new ATOM 0 HB ILE A 49 -14.036 1.386 6.298 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.008 2.395 7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.960 0.662 7.448 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.145 -0.874 5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.002 -0.263 4.513 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -12.223 -0.288 4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.778 1.501 6.728 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -10.457 0.400 5.506 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.505 2.159 5.243 1.00 0.00 H new ATOM 799 N SER A 50 -15.388 2.086 3.910 1.00 0.00 N ATOM 800 CA SER A 50 -16.458 1.843 2.951 1.00 0.00 C ATOM 801 C SER A 50 -16.534 2.972 1.924 1.00 0.00 C ATOM 802 O SER A 50 -17.005 2.776 0.800 1.00 0.00 O ATOM 803 CB SER A 50 -17.792 1.699 3.683 1.00 0.00 C ATOM 804 OG SER A 50 -17.733 0.649 4.631 1.00 0.00 O ATOM 0 H SER A 50 -15.707 2.290 4.857 1.00 0.00 H new ATOM 0 HA SER A 50 -16.243 0.916 2.420 1.00 0.00 H new ATOM 0 HB2 SER A 50 -18.040 2.635 4.184 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.587 1.502 2.964 1.00 0.00 H new ATOM 0 HG SER A 50 -18.596 0.574 5.090 1.00 0.00 H new ATOM 810 N TYR A 51 -16.055 4.150 2.304 1.00 0.00 N ATOM 811 CA TYR A 51 -16.052 5.292 1.405 1.00 0.00 C ATOM 812 C TYR A 51 -15.019 5.090 0.296 1.00 0.00 C ATOM 813 O TYR A 51 -15.285 5.376 -0.867 1.00 0.00 O ATOM 814 CB TYR A 51 -15.774 6.580 2.186 1.00 0.00 C ATOM 815 CG TYR A 51 -16.033 7.845 1.399 1.00 0.00 C ATOM 816 CD1 TYR A 51 -17.295 8.119 0.885 1.00 0.00 C ATOM 817 CD2 TYR A 51 -15.022 8.770 1.184 1.00 0.00 C ATOM 818 CE1 TYR A 51 -17.541 9.280 0.176 1.00 0.00 C ATOM 819 CE2 TYR A 51 -15.259 9.932 0.474 1.00 0.00 C ATOM 820 CZ TYR A 51 -16.520 10.182 -0.027 1.00 0.00 C ATOM 821 OH TYR A 51 -16.764 11.343 -0.729 1.00 0.00 O ATOM 0 H TYR A 51 -15.665 4.337 3.228 1.00 0.00 H new ATOM 0 HA TYR A 51 -17.035 5.380 0.942 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -16.393 6.589 3.083 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -14.735 6.576 2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -18.097 7.413 1.042 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -14.034 8.579 1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -18.527 9.479 -0.216 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -14.461 10.641 0.312 1.00 0.00 H new ATOM 0 HH TYR A 51 -15.941 11.872 -0.783 1.00 0.00 H new ATOM 831 N LEU A 52 -13.848 4.581 0.659 1.00 0.00 N ATOM 832 CA LEU A 52 -12.814 4.263 -0.320 1.00 0.00 C ATOM 833 C LEU A 52 -13.229 3.058 -1.154 1.00 0.00 C ATOM 834 O LEU A 52 -12.991 3.016 -2.362 1.00 0.00 O ATOM 835 CB LEU A 52 -11.481 3.981 0.373 1.00 0.00 C ATOM 836 CG LEU A 52 -10.828 5.190 1.047 1.00 0.00 C ATOM 837 CD1 LEU A 52 -9.542 4.782 1.744 1.00 0.00 C ATOM 838 CD2 LEU A 52 -10.555 6.282 0.024 1.00 0.00 C ATOM 0 H LEU A 52 -13.590 4.379 1.625 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.690 5.125 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.637 3.207 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.786 3.576 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.516 5.581 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.092 5.655 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.762 4.031 2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.848 4.367 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.091 7.135 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.885 5.900 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.494 6.594 -0.434 1.00 0.00 H new ATOM 850 N GLU A 53 -13.848 2.086 -0.495 1.00 0.00 N ATOM 851 CA GLU A 53 -14.365 0.897 -1.163 1.00 0.00 C ATOM 852 C GLU A 53 -15.303 1.281 -2.305 1.00 0.00 C ATOM 853 O GLU A 53 -15.187 0.770 -3.421 1.00 0.00 O ATOM 854 CB GLU A 53 -15.110 0.022 -0.156 1.00 0.00 C ATOM 855 CG GLU A 53 -15.729 -1.224 -0.761 1.00 0.00 C ATOM 856 CD GLU A 53 -16.595 -1.974 0.226 1.00 0.00 C ATOM 857 OE1 GLU A 53 -17.808 -1.677 0.307 1.00 0.00 O ATOM 858 OE2 GLU A 53 -16.077 -2.860 0.927 1.00 0.00 O ATOM 0 H GLU A 53 -14.005 2.099 0.513 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.524 0.341 -1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.419 -0.274 0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.895 0.614 0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.328 -0.945 -1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.938 -1.882 -1.120 1.00 0.00 H new ATOM 865 N SER A 54 -16.224 2.191 -2.027 1.00 0.00 N ATOM 866 CA SER A 54 -17.181 2.616 -3.031 1.00 0.00 C ATOM 867 C SER A 54 -16.506 3.433 -4.134 1.00 0.00 C ATOM 868 O SER A 54 -16.909 3.355 -5.291 1.00 0.00 O ATOM 869 CB SER A 54 -18.326 3.395 -2.380 1.00 0.00 C ATOM 870 OG SER A 54 -17.840 4.376 -1.480 1.00 0.00 O ATOM 0 H SER A 54 -16.327 2.646 -1.120 1.00 0.00 H new ATOM 0 HA SER A 54 -17.599 1.726 -3.501 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.927 3.874 -3.153 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.981 2.705 -1.849 1.00 0.00 H new ATOM 0 HG SER A 54 -16.891 4.542 -1.658 1.00 0.00 H new ATOM 876 N GLN A 55 -15.463 4.188 -3.786 1.00 0.00 N ATOM 877 CA GLN A 55 -14.722 4.971 -4.776 1.00 0.00 C ATOM 878 C GLN A 55 -14.034 4.058 -5.786 1.00 0.00 C ATOM 879 O GLN A 55 -14.123 4.271 -6.997 1.00 0.00 O ATOM 880 CB GLN A 55 -13.659 5.855 -4.117 1.00 0.00 C ATOM 881 CG GLN A 55 -14.203 6.939 -3.201 1.00 0.00 C ATOM 882 CD GLN A 55 -13.104 7.845 -2.678 1.00 0.00 C ATOM 883 OE1 GLN A 55 -12.102 8.081 -3.353 1.00 0.00 O ATOM 884 NE2 GLN A 55 -13.274 8.343 -1.468 1.00 0.00 N ATOM 0 H GLN A 55 -15.114 4.274 -2.832 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.450 5.605 -5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.985 5.220 -3.543 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.064 6.326 -4.899 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -14.938 7.535 -3.742 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.723 6.477 -2.361 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.119 8.124 -0.940 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.561 8.947 -1.060 1.00 0.00 H new ATOM 893 N VAL A 56 -13.354 3.033 -5.286 1.00 0.00 N ATOM 894 CA VAL A 56 -12.582 2.149 -6.147 1.00 0.00 C ATOM 895 C VAL A 56 -13.501 1.219 -6.944 1.00 0.00 C ATOM 896 O VAL A 56 -13.209 0.877 -8.089 1.00 0.00 O ATOM 897 CB VAL A 56 -11.535 1.337 -5.344 1.00 0.00 C ATOM 898 CG1 VAL A 56 -12.194 0.316 -4.429 1.00 0.00 C ATOM 899 CG2 VAL A 56 -10.539 0.668 -6.276 1.00 0.00 C ATOM 0 H VAL A 56 -13.322 2.795 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.038 2.777 -6.853 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.993 2.039 -4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.426 -0.233 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.846 0.829 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.783 -0.381 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.814 0.104 -5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.067 -0.008 -6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.020 1.428 -6.860 1.00 0.00 H new ATOM 909 N ARG A 57 -14.632 0.845 -6.352 1.00 0.00 N ATOM 910 CA ARG A 57 -15.620 0.029 -7.052 1.00 0.00 C ATOM 911 C ARG A 57 -16.375 0.881 -8.071 1.00 0.00 C ATOM 912 O ARG A 57 -16.848 0.381 -9.095 1.00 0.00 O ATOM 913 CB ARG A 57 -16.580 -0.618 -6.048 1.00 0.00 C ATOM 914 CG ARG A 57 -17.648 -1.494 -6.689 1.00 0.00 C ATOM 915 CD ARG A 57 -18.209 -2.506 -5.700 1.00 0.00 C ATOM 916 NE ARG A 57 -18.698 -1.881 -4.471 1.00 0.00 N ATOM 917 CZ ARG A 57 -18.377 -2.305 -3.245 1.00 0.00 C ATOM 918 NH1 ARG A 57 -17.562 -3.345 -3.091 1.00 0.00 N ATOM 919 NH2 ARG A 57 -18.886 -1.700 -2.179 1.00 0.00 N ATOM 0 H ARG A 57 -14.886 1.092 -5.396 1.00 0.00 H new ATOM 0 HA ARG A 57 -15.109 -0.770 -7.590 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -16.004 -1.221 -5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -17.067 0.167 -5.469 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -18.456 -0.867 -7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -17.224 -2.018 -7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -19.023 -3.057 -6.172 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -17.435 -3.232 -5.451 1.00 0.00 H new ATOM 0 HE ARG A 57 -19.319 -1.076 -4.555 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -17.181 -3.820 -3.909 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -17.318 -3.667 -2.155 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -19.522 -0.911 -2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -18.641 -2.024 -1.243 1.00 0.00 H new ATOM 933 N ASN A 58 -16.468 2.173 -7.787 1.00 0.00 N ATOM 934 CA ASN A 58 -17.047 3.136 -8.721 1.00 0.00 C ATOM 935 C ASN A 58 -16.157 3.281 -9.950 1.00 0.00 C ATOM 936 O ASN A 58 -16.624 3.624 -11.037 1.00 0.00 O ATOM 937 CB ASN A 58 -17.215 4.493 -8.025 1.00 0.00 C ATOM 938 CG ASN A 58 -17.716 5.594 -8.943 1.00 0.00 C ATOM 939 OD1 ASN A 58 -16.929 6.303 -9.572 1.00 0.00 O ATOM 940 ND2 ASN A 58 -19.028 5.757 -9.012 1.00 0.00 N ATOM 0 H ASN A 58 -16.148 2.583 -6.910 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.024 2.776 -9.043 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.911 4.381 -7.194 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.257 4.794 -7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.420 6.491 -9.602 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -19.646 5.149 -8.475 1.00 0.00 H new ATOM 947 N GLY A 59 -14.872 3.001 -9.771 1.00 0.00 N ATOM 948 CA GLY A 59 -13.930 3.101 -10.867 1.00 0.00 C ATOM 949 C GLY A 59 -13.290 4.470 -10.936 1.00 0.00 C ATOM 950 O GLY A 59 -12.619 4.805 -11.912 1.00 0.00 O ATOM 0 H GLY A 59 -14.465 2.706 -8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.155 2.343 -10.750 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.442 2.892 -11.806 1.00 0.00 H new ATOM 954 N ASP A 60 -13.498 5.261 -9.893 1.00 0.00 N ATOM 955 CA ASP A 60 -12.958 6.613 -9.835 1.00 0.00 C ATOM 956 C ASP A 60 -11.457 6.579 -9.580 1.00 0.00 C ATOM 957 O ASP A 60 -10.684 7.283 -10.234 1.00 0.00 O ATOM 958 CB ASP A 60 -13.662 7.417 -8.743 1.00 0.00 C ATOM 959 CG ASP A 60 -13.126 8.826 -8.631 1.00 0.00 C ATOM 960 OD1 ASP A 60 -13.306 9.610 -9.587 1.00 0.00 O ATOM 961 OD2 ASP A 60 -12.523 9.161 -7.592 1.00 0.00 O ATOM 0 H ASP A 60 -14.039 4.989 -9.072 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.134 7.097 -10.796 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.731 7.453 -8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.543 6.908 -7.786 1.00 0.00 H new ATOM 966 N ILE A 61 -11.053 5.750 -8.633 1.00 0.00 N ATOM 967 CA ILE A 61 -9.645 5.561 -8.328 1.00 0.00 C ATOM 968 C ILE A 61 -9.218 4.152 -8.704 1.00 0.00 C ATOM 969 O ILE A 61 -10.039 3.346 -9.153 1.00 0.00 O ATOM 970 CB ILE A 61 -9.338 5.804 -6.834 1.00 0.00 C ATOM 971 CG1 ILE A 61 -10.179 4.875 -5.953 1.00 0.00 C ATOM 972 CG2 ILE A 61 -9.591 7.260 -6.475 1.00 0.00 C ATOM 973 CD1 ILE A 61 -9.860 4.981 -4.477 1.00 0.00 C ATOM 0 H ILE A 61 -11.685 5.193 -8.058 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.086 6.293 -8.911 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.286 5.581 -6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -11.234 5.102 -6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -10.025 3.845 -6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.371 7.418 -5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.949 7.901 -7.079 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -10.635 7.506 -6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -10.495 4.294 -3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.814 4.725 -4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.042 6.001 -4.138 1.00 0.00 H new ATOM 985 N SER A 62 -7.941 3.862 -8.539 1.00 0.00 N ATOM 986 CA SER A 62 -7.427 2.533 -8.804 1.00 0.00 C ATOM 987 C SER A 62 -6.858 1.930 -7.523 1.00 0.00 C ATOM 988 O SER A 62 -6.902 2.561 -6.461 1.00 0.00 O ATOM 989 CB SER A 62 -6.364 2.588 -9.907 1.00 0.00 C ATOM 990 OG SER A 62 -5.336 3.518 -9.600 1.00 0.00 O ATOM 0 H SER A 62 -7.240 4.531 -8.222 1.00 0.00 H new ATOM 0 HA SER A 62 -8.241 1.896 -9.150 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.930 1.598 -10.044 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.833 2.863 -10.851 1.00 0.00 H new ATOM 0 HG SER A 62 -5.513 3.924 -8.726 1.00 0.00 H new ATOM 996 N MET A 63 -6.325 0.716 -7.619 1.00 0.00 N ATOM 997 CA MET A 63 -5.724 0.053 -6.464 1.00 0.00 C ATOM 998 C MET A 63 -4.510 0.841 -5.974 1.00 0.00 C ATOM 999 O MET A 63 -4.059 0.672 -4.843 1.00 0.00 O ATOM 1000 CB MET A 63 -5.313 -1.384 -6.808 1.00 0.00 C ATOM 1001 CG MET A 63 -6.431 -2.219 -7.415 1.00 0.00 C ATOM 1002 SD MET A 63 -7.866 -2.381 -6.333 1.00 0.00 S ATOM 1003 CE MET A 63 -7.227 -3.461 -5.054 1.00 0.00 C ATOM 0 H MET A 63 -6.296 0.172 -8.481 1.00 0.00 H new ATOM 0 HA MET A 63 -6.469 0.016 -5.669 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.476 -1.354 -7.505 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.957 -1.876 -5.903 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.743 -1.767 -8.356 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.047 -3.212 -7.650 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.043 -3.778 -4.404 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.768 -4.337 -5.513 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.481 -2.927 -4.466 1.00 0.00 H new ATOM 1013 N LYS A 64 -3.996 1.699 -6.847 1.00 0.00 N ATOM 1014 CA LYS A 64 -2.895 2.594 -6.518 1.00 0.00 C ATOM 1015 C LYS A 64 -3.284 3.523 -5.366 1.00 0.00 C ATOM 1016 O LYS A 64 -2.649 3.519 -4.303 1.00 0.00 O ATOM 1017 CB LYS A 64 -2.539 3.416 -7.761 1.00 0.00 C ATOM 1018 CG LYS A 64 -1.415 4.421 -7.563 1.00 0.00 C ATOM 1019 CD LYS A 64 -0.049 3.756 -7.559 1.00 0.00 C ATOM 1020 CE LYS A 64 1.058 4.788 -7.702 1.00 0.00 C ATOM 1021 NZ LYS A 64 2.375 4.163 -8.001 1.00 0.00 N ATOM 0 H LYS A 64 -4.332 1.793 -7.805 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.032 2.007 -6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.259 2.733 -8.563 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.430 3.949 -8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.452 5.167 -8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.563 4.950 -6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.086 3.199 -6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.012 3.036 -8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.800 5.487 -8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.133 5.367 -6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.031 4.888 -8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.762 3.738 -7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.253 3.425 -8.724 1.00 0.00 H new ATOM 1035 N GLU A 65 -4.336 4.306 -5.580 1.00 0.00 N ATOM 1036 CA GLU A 65 -4.823 5.236 -4.569 1.00 0.00 C ATOM 1037 C GLU A 65 -5.361 4.472 -3.374 1.00 0.00 C ATOM 1038 O GLU A 65 -5.145 4.858 -2.226 1.00 0.00 O ATOM 1039 CB GLU A 65 -5.938 6.133 -5.121 1.00 0.00 C ATOM 1040 CG GLU A 65 -5.508 7.081 -6.229 1.00 0.00 C ATOM 1041 CD GLU A 65 -5.115 6.364 -7.500 1.00 0.00 C ATOM 1042 OE1 GLU A 65 -5.872 5.476 -7.944 1.00 0.00 O ATOM 1043 OE2 GLU A 65 -4.048 6.690 -8.060 1.00 0.00 O ATOM 0 H GLU A 65 -4.870 4.314 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.982 5.862 -4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.742 5.499 -5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.352 6.720 -4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.323 7.772 -6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.666 7.680 -5.881 1.00 0.00 H new ATOM 1050 N PHE A 66 -6.053 3.380 -3.663 1.00 0.00 N ATOM 1051 CA PHE A 66 -6.700 2.580 -2.636 1.00 0.00 C ATOM 1052 C PHE A 66 -5.698 2.113 -1.585 1.00 0.00 C ATOM 1053 O PHE A 66 -5.860 2.396 -0.398 1.00 0.00 O ATOM 1054 CB PHE A 66 -7.397 1.382 -3.278 1.00 0.00 C ATOM 1055 CG PHE A 66 -8.349 0.676 -2.359 1.00 0.00 C ATOM 1056 CD1 PHE A 66 -9.445 1.346 -1.840 1.00 0.00 C ATOM 1057 CD2 PHE A 66 -8.157 -0.653 -2.022 1.00 0.00 C ATOM 1058 CE1 PHE A 66 -10.333 0.704 -1.003 1.00 0.00 C ATOM 1059 CE2 PHE A 66 -9.042 -1.302 -1.183 1.00 0.00 C ATOM 1060 CZ PHE A 66 -10.131 -0.622 -0.674 1.00 0.00 C ATOM 0 H PHE A 66 -6.181 3.026 -4.611 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.442 3.201 -2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.940 1.719 -4.161 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.642 0.674 -3.619 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.606 2.383 -2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.307 -1.188 -2.419 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -11.184 1.237 -0.606 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.883 -2.339 -0.926 1.00 0.00 H new ATOM 0 HZ PHE A 66 -10.825 -1.127 -0.019 1.00 0.00 H new ATOM 1070 N VAL A 67 -4.650 1.426 -2.026 1.00 0.00 N ATOM 1071 CA VAL A 67 -3.644 0.893 -1.113 1.00 0.00 C ATOM 1072 C VAL A 67 -2.944 2.005 -0.335 1.00 0.00 C ATOM 1073 O VAL A 67 -2.810 1.926 0.889 1.00 0.00 O ATOM 1074 CB VAL A 67 -2.583 0.053 -1.864 1.00 0.00 C ATOM 1075 CG1 VAL A 67 -1.430 -0.327 -0.944 1.00 0.00 C ATOM 1076 CG2 VAL A 67 -3.213 -1.200 -2.455 1.00 0.00 C ATOM 0 H VAL A 67 -4.474 1.225 -3.010 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.175 0.250 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.187 0.666 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.701 -0.917 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.953 0.577 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.810 -0.914 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.452 -1.778 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.640 -1.804 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.999 -0.917 -3.155 1.00 0.00 H new ATOM 1086 N ARG A 68 -2.522 3.052 -1.034 1.00 0.00 N ATOM 1087 CA ARG A 68 -1.736 4.102 -0.397 1.00 0.00 C ATOM 1088 C ARG A 68 -2.572 4.899 0.610 1.00 0.00 C ATOM 1089 O ARG A 68 -2.049 5.355 1.626 1.00 0.00 O ATOM 1090 CB ARG A 68 -1.103 5.023 -1.448 1.00 0.00 C ATOM 1091 CG ARG A 68 -2.073 5.977 -2.122 1.00 0.00 C ATOM 1092 CD ARG A 68 -1.403 6.734 -3.255 1.00 0.00 C ATOM 1093 NE ARG A 68 -2.115 7.966 -3.587 1.00 0.00 N ATOM 1094 CZ ARG A 68 -2.383 8.370 -4.826 1.00 0.00 C ATOM 1095 NH1 ARG A 68 -2.128 7.577 -5.860 1.00 0.00 N ATOM 1096 NH2 ARG A 68 -2.930 9.559 -5.027 1.00 0.00 N ATOM 0 H ARG A 68 -2.707 3.196 -2.027 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.931 3.622 0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.313 5.605 -0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.629 4.407 -2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.926 5.419 -2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.461 6.684 -1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.377 6.973 -2.975 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.352 6.096 -4.137 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.428 8.557 -2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.725 6.653 -5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.336 7.892 -6.808 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.145 10.162 -4.233 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.137 9.872 -5.976 1.00 0.00 H new ATOM 1110 N ARG A 69 -3.870 5.047 0.348 1.00 0.00 N ATOM 1111 CA ARG A 69 -4.748 5.770 1.266 1.00 0.00 C ATOM 1112 C ARG A 69 -5.021 4.946 2.520 1.00 0.00 C ATOM 1113 O ARG A 69 -5.151 5.494 3.619 1.00 0.00 O ATOM 1114 CB ARG A 69 -6.071 6.145 0.591 1.00 0.00 C ATOM 1115 CG ARG A 69 -5.945 7.256 -0.436 1.00 0.00 C ATOM 1116 CD ARG A 69 -7.301 7.621 -1.015 1.00 0.00 C ATOM 1117 NE ARG A 69 -7.218 8.711 -1.988 1.00 0.00 N ATOM 1118 CZ ARG A 69 -8.186 9.004 -2.861 1.00 0.00 C ATOM 1119 NH1 ARG A 69 -9.312 8.296 -2.876 1.00 0.00 N ATOM 1120 NH2 ARG A 69 -8.034 10.003 -3.722 1.00 0.00 N ATOM 0 H ARG A 69 -4.333 4.680 -0.484 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.235 6.688 1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.483 5.260 0.106 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.784 6.451 1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.495 8.134 0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.277 6.941 -1.237 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.737 6.744 -1.493 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.972 7.910 -0.206 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.372 9.280 -2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.439 7.526 -2.219 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.048 8.523 -3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.174 10.552 -3.720 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.777 10.222 -4.386 1.00 0.00 H new ATOM 1134 N LEU A 70 -5.097 3.629 2.355 1.00 0.00 N ATOM 1135 CA LEU A 70 -5.346 2.730 3.478 1.00 0.00 C ATOM 1136 C LEU A 70 -4.173 2.746 4.450 1.00 0.00 C ATOM 1137 O LEU A 70 -4.355 2.904 5.656 1.00 0.00 O ATOM 1138 CB LEU A 70 -5.589 1.297 2.987 1.00 0.00 C ATOM 1139 CG LEU A 70 -6.857 1.090 2.158 1.00 0.00 C ATOM 1140 CD1 LEU A 70 -6.956 -0.356 1.696 1.00 0.00 C ATOM 1141 CD2 LEU A 70 -8.088 1.477 2.962 1.00 0.00 C ATOM 0 H LEU A 70 -4.990 3.160 1.455 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.240 3.082 3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.731 0.986 2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.631 0.637 3.854 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.805 1.732 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.864 -0.488 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.088 -0.603 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.988 -1.014 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.981 1.323 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.146 0.859 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.020 2.526 3.249 1.00 0.00 H new ATOM 1153 N ALA A 71 -2.971 2.604 3.910 1.00 0.00 N ATOM 1154 CA ALA A 71 -1.764 2.547 4.729 1.00 0.00 C ATOM 1155 C ALA A 71 -1.429 3.907 5.343 1.00 0.00 C ATOM 1156 O ALA A 71 -0.769 3.984 6.376 1.00 0.00 O ATOM 1157 CB ALA A 71 -0.598 2.035 3.899 1.00 0.00 C ATOM 0 H ALA A 71 -2.803 2.526 2.907 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.950 1.857 5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.299 1.995 4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.827 1.036 3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.429 2.706 3.057 1.00 0.00 H new ATOM 1163 N LYS A 72 -1.884 4.978 4.701 1.00 0.00 N ATOM 1164 CA LYS A 72 -1.652 6.329 5.205 1.00 0.00 C ATOM 1165 C LYS A 72 -2.588 6.651 6.373 1.00 0.00 C ATOM 1166 O LYS A 72 -2.338 7.580 7.146 1.00 0.00 O ATOM 1167 CB LYS A 72 -1.851 7.354 4.086 1.00 0.00 C ATOM 1168 CG LYS A 72 -1.524 8.780 4.499 1.00 0.00 C ATOM 1169 CD LYS A 72 -1.898 9.776 3.417 1.00 0.00 C ATOM 1170 CE LYS A 72 -1.619 11.203 3.854 1.00 0.00 C ATOM 1171 NZ LYS A 72 -2.338 11.554 5.109 1.00 0.00 N ATOM 0 H LYS A 72 -2.415 4.938 3.831 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.624 6.380 5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.225 7.078 3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.886 7.312 3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.056 9.024 5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.459 8.861 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.337 9.556 2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.955 9.669 3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.547 11.333 4.002 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.917 11.889 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.717 12.519 5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.120 10.886 5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.680 11.503 5.912 1.00 0.00 H new ATOM 1185 N SER A 73 -3.659 5.875 6.502 1.00 0.00 N ATOM 1186 CA SER A 73 -4.671 6.125 7.521 1.00 0.00 C ATOM 1187 C SER A 73 -4.082 6.029 8.932 1.00 0.00 C ATOM 1188 O SER A 73 -3.278 5.141 9.221 1.00 0.00 O ATOM 1189 CB SER A 73 -5.833 5.145 7.358 1.00 0.00 C ATOM 1190 OG SER A 73 -6.477 5.329 6.105 1.00 0.00 O ATOM 0 H SER A 73 -3.849 5.065 5.911 1.00 0.00 H new ATOM 0 HA SER A 73 -5.041 7.141 7.387 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.465 4.122 7.436 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.551 5.288 8.165 1.00 0.00 H new ATOM 0 HG SER A 73 -5.814 5.276 5.385 1.00 0.00 H new ATOM 1196 N PRO A 74 -4.493 6.949 9.826 1.00 0.00 N ATOM 1197 CA PRO A 74 -3.962 7.055 11.194 1.00 0.00 C ATOM 1198 C PRO A 74 -4.054 5.750 11.980 1.00 0.00 C ATOM 1199 O PRO A 74 -3.263 5.515 12.889 1.00 0.00 O ATOM 1200 CB PRO A 74 -4.835 8.135 11.850 1.00 0.00 C ATOM 1201 CG PRO A 74 -6.003 8.309 10.942 1.00 0.00 C ATOM 1202 CD PRO A 74 -5.510 7.975 9.567 1.00 0.00 C ATOM 0 HA PRO A 74 -2.899 7.296 11.181 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.155 7.829 12.846 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.284 9.069 11.964 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -6.824 7.653 11.232 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.381 9.331 10.984 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.311 7.599 8.931 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.087 8.846 9.066 1.00 0.00 H new ATOM 1210 N LEU A 75 -5.018 4.903 11.632 1.00 0.00 N ATOM 1211 CA LEU A 75 -5.169 3.611 12.291 1.00 0.00 C ATOM 1212 C LEU A 75 -3.939 2.741 12.044 1.00 0.00 C ATOM 1213 O LEU A 75 -3.393 2.145 12.971 1.00 0.00 O ATOM 1214 CB LEU A 75 -6.431 2.898 11.797 1.00 0.00 C ATOM 1215 CG LEU A 75 -6.685 1.516 12.409 1.00 0.00 C ATOM 1216 CD1 LEU A 75 -6.874 1.620 13.918 1.00 0.00 C ATOM 1217 CD2 LEU A 75 -7.901 0.872 11.762 1.00 0.00 C ATOM 0 H LEU A 75 -5.704 5.088 10.900 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.266 3.782 13.363 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.292 3.533 12.005 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.368 2.791 10.714 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.814 0.888 12.219 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.053 0.627 14.332 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.977 2.045 14.369 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.728 2.262 14.134 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.072 -0.109 12.205 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.776 1.501 11.925 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.728 0.762 10.691 1.00 0.00 H new ATOM 1229 N TYR A 76 -3.487 2.711 10.795 1.00 0.00 N ATOM 1230 CA TYR A 76 -2.345 1.890 10.407 1.00 0.00 C ATOM 1231 C TYR A 76 -1.047 2.548 10.872 1.00 0.00 C ATOM 1232 O TYR A 76 -0.027 1.889 11.044 1.00 0.00 O ATOM 1233 CB TYR A 76 -2.335 1.698 8.887 1.00 0.00 C ATOM 1234 CG TYR A 76 -1.570 0.477 8.415 1.00 0.00 C ATOM 1235 CD1 TYR A 76 -2.118 -0.792 8.544 1.00 0.00 C ATOM 1236 CD2 TYR A 76 -0.314 0.592 7.829 1.00 0.00 C ATOM 1237 CE1 TYR A 76 -1.440 -1.914 8.106 1.00 0.00 C ATOM 1238 CE2 TYR A 76 0.373 -0.527 7.388 1.00 0.00 C ATOM 1239 CZ TYR A 76 -0.196 -1.777 7.529 1.00 0.00 C ATOM 1240 OH TYR A 76 0.475 -2.898 7.083 1.00 0.00 O ATOM 0 H TYR A 76 -3.896 3.248 10.031 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.428 0.912 10.882 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.364 1.625 8.535 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.902 2.585 8.424 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.093 -0.905 8.995 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.133 1.569 7.716 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.883 -2.893 8.215 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.348 -0.422 6.936 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.154 -3.496 6.628 1.00 0.00 H new ATOM 1250 N ARG A 77 -1.113 3.859 11.074 1.00 0.00 N ATOM 1251 CA ARG A 77 0.028 4.633 11.545 1.00 0.00 C ATOM 1252 C ARG A 77 0.188 4.509 13.066 1.00 0.00 C ATOM 1253 O ARG A 77 1.301 4.573 13.591 1.00 0.00 O ATOM 1254 CB ARG A 77 -0.157 6.103 11.154 1.00 0.00 C ATOM 1255 CG ARG A 77 0.931 7.022 11.678 1.00 0.00 C ATOM 1256 CD ARG A 77 0.565 8.482 11.482 1.00 0.00 C ATOM 1257 NE ARG A 77 1.504 9.378 12.158 1.00 0.00 N ATOM 1258 CZ ARG A 77 1.249 9.985 13.316 1.00 0.00 C ATOM 1259 NH1 ARG A 77 0.083 9.794 13.926 1.00 0.00 N ATOM 1260 NH2 ARG A 77 2.158 10.786 13.858 1.00 0.00 N ATOM 0 H ARG A 77 -1.955 4.413 10.917 1.00 0.00 H new ATOM 0 HA ARG A 77 0.932 4.241 11.078 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.190 6.178 10.067 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.121 6.449 11.526 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.096 6.826 12.737 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.868 6.808 11.164 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.548 8.712 10.417 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.441 8.658 11.862 1.00 0.00 H new ATOM 0 HE ARG A 77 2.408 9.548 11.716 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.617 9.182 13.507 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.111 10.259 14.813 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.051 10.936 13.388 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.964 11.251 14.745 1.00 0.00 H new ATOM 1274 N LYS A 78 -0.930 4.348 13.763 1.00 0.00 N ATOM 1275 CA LYS A 78 -0.922 4.222 15.217 1.00 0.00 C ATOM 1276 C LYS A 78 -0.508 2.814 15.625 1.00 0.00 C ATOM 1277 O LYS A 78 0.200 2.623 16.615 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.301 4.575 15.779 1.00 0.00 C ATOM 1279 CG LYS A 78 -2.388 4.531 17.297 1.00 0.00 C ATOM 1280 CD LYS A 78 -3.674 5.167 17.793 1.00 0.00 C ATOM 1281 CE LYS A 78 -4.900 4.475 17.222 1.00 0.00 C ATOM 1282 NZ LYS A 78 -6.138 5.254 17.474 1.00 0.00 N ATOM 0 H LYS A 78 -1.858 4.301 13.343 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.194 4.919 15.631 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.574 5.574 15.440 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.037 3.886 15.364 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.336 3.497 17.637 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.532 5.051 17.728 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.705 5.123 18.882 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.689 6.221 17.516 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.771 4.334 16.149 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.997 3.484 17.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.953 4.750 17.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.274 5.367 18.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.055 6.191 17.030 1.00 0.00 H new ATOM 1296 N GLN A 79 -0.962 1.828 14.872 1.00 0.00 N ATOM 1297 CA GLN A 79 -0.483 0.468 15.037 1.00 0.00 C ATOM 1298 C GLN A 79 0.761 0.290 14.180 1.00 0.00 C ATOM 1299 O GLN A 79 1.208 1.255 13.561 1.00 0.00 O ATOM 1300 CB GLN A 79 -1.569 -0.522 14.622 1.00 0.00 C ATOM 1301 CG GLN A 79 -2.912 -0.236 15.271 1.00 0.00 C ATOM 1302 CD GLN A 79 -4.004 -1.169 14.800 1.00 0.00 C ATOM 1303 OE1 GLN A 79 -3.981 -1.658 13.673 1.00 0.00 O ATOM 1304 NE2 GLN A 79 -4.975 -1.414 15.664 1.00 0.00 N ATOM 0 H GLN A 79 -1.662 1.944 14.140 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.237 0.279 16.082 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.682 -0.495 13.538 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.252 -1.531 14.885 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.812 -0.319 16.353 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.202 0.792 15.056 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.954 -0.986 16.590 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.745 -2.031 15.405 1.00 0.00 H new ATOM 1313 N PHE A 80 1.328 -0.918 14.163 1.00 0.00 N ATOM 1314 CA PHE A 80 2.470 -1.232 13.296 1.00 0.00 C ATOM 1315 C PHE A 80 3.747 -0.489 13.726 1.00 0.00 C ATOM 1316 O PHE A 80 4.718 -1.111 14.151 1.00 0.00 O ATOM 1317 CB PHE A 80 2.097 -0.914 11.837 1.00 0.00 C ATOM 1318 CG PHE A 80 3.174 -1.149 10.816 1.00 0.00 C ATOM 1319 CD1 PHE A 80 4.150 -0.193 10.578 1.00 0.00 C ATOM 1320 CD2 PHE A 80 3.186 -2.312 10.067 1.00 0.00 C ATOM 1321 CE1 PHE A 80 5.117 -0.397 9.617 1.00 0.00 C ATOM 1322 CE2 PHE A 80 4.154 -2.521 9.109 1.00 0.00 C ATOM 1323 CZ PHE A 80 5.119 -1.561 8.881 1.00 0.00 C ATOM 0 H PHE A 80 1.015 -1.698 14.741 1.00 0.00 H new ATOM 0 HA PHE A 80 2.694 -2.295 13.388 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.229 -1.515 11.565 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.792 0.131 11.780 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.153 0.722 11.152 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.429 -3.064 10.235 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.872 0.355 9.442 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.158 -3.437 8.536 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.875 -1.722 8.126 1.00 0.00 H new ATOM 1333 N PHE A 81 3.733 0.836 13.635 1.00 0.00 N ATOM 1334 CA PHE A 81 4.914 1.647 13.907 1.00 0.00 C ATOM 1335 C PHE A 81 5.138 1.834 15.408 1.00 0.00 C ATOM 1336 O PHE A 81 6.261 1.721 15.891 1.00 0.00 O ATOM 1337 CB PHE A 81 4.776 3.011 13.222 1.00 0.00 C ATOM 1338 CG PHE A 81 5.950 3.928 13.440 1.00 0.00 C ATOM 1339 CD1 PHE A 81 7.154 3.701 12.794 1.00 0.00 C ATOM 1340 CD2 PHE A 81 5.849 5.017 14.292 1.00 0.00 C ATOM 1341 CE1 PHE A 81 8.234 4.540 12.994 1.00 0.00 C ATOM 1342 CE2 PHE A 81 6.926 5.859 14.495 1.00 0.00 C ATOM 1343 CZ PHE A 81 8.121 5.620 13.846 1.00 0.00 C ATOM 0 H PHE A 81 2.908 1.376 13.372 1.00 0.00 H new ATOM 0 HA PHE A 81 5.781 1.122 13.506 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.643 2.856 12.151 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.873 3.500 13.588 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.250 2.858 12.126 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.917 5.210 14.803 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.167 4.350 12.483 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.833 6.704 15.161 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.964 6.276 14.004 1.00 0.00 H new ATOM 1353 N GLU A 82 4.071 2.123 16.138 1.00 0.00 N ATOM 1354 CA GLU A 82 4.175 2.385 17.574 1.00 0.00 C ATOM 1355 C GLU A 82 4.524 1.129 18.393 1.00 0.00 C ATOM 1356 O GLU A 82 5.429 1.179 19.227 1.00 0.00 O ATOM 1357 CB GLU A 82 2.887 3.026 18.099 1.00 0.00 C ATOM 1358 CG GLU A 82 2.673 4.446 17.602 1.00 0.00 C ATOM 1359 CD GLU A 82 3.764 5.391 18.064 1.00 0.00 C ATOM 1360 OE1 GLU A 82 4.794 5.505 17.372 1.00 0.00 O ATOM 1361 OE2 GLU A 82 3.596 6.026 19.129 1.00 0.00 O ATOM 0 H GLU A 82 3.124 2.183 15.765 1.00 0.00 H new ATOM 0 HA GLU A 82 5.003 3.082 17.703 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.037 2.413 17.800 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.910 3.030 19.189 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.635 4.445 16.513 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.708 4.810 17.955 1.00 0.00 H new ATOM 1368 N PRO A 83 3.819 -0.012 18.198 1.00 0.00 N ATOM 1369 CA PRO A 83 4.122 -1.254 18.932 1.00 0.00 C ATOM 1370 C PRO A 83 5.514 -1.799 18.622 1.00 0.00 C ATOM 1371 O PRO A 83 6.062 -2.607 19.378 1.00 0.00 O ATOM 1372 CB PRO A 83 3.048 -2.237 18.454 1.00 0.00 C ATOM 1373 CG PRO A 83 2.553 -1.677 17.168 1.00 0.00 C ATOM 1374 CD PRO A 83 2.665 -0.187 17.298 1.00 0.00 C ATOM 0 HA PRO A 83 4.116 -1.088 20.009 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.462 -3.236 18.315 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.242 -2.324 19.182 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.146 -2.042 16.329 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.521 -1.976 16.983 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.832 0.290 16.332 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.758 0.250 17.717 1.00 0.00 H new ATOM 1382 N PHE A 84 6.076 -1.366 17.506 1.00 0.00 N ATOM 1383 CA PHE A 84 7.426 -1.750 17.121 1.00 0.00 C ATOM 1384 C PHE A 84 8.341 -0.532 17.182 1.00 0.00 C ATOM 1385 O PHE A 84 8.017 0.462 17.828 1.00 0.00 O ATOM 1386 CB PHE A 84 7.432 -2.355 15.711 1.00 0.00 C ATOM 1387 CG PHE A 84 6.761 -3.700 15.618 1.00 0.00 C ATOM 1388 CD1 PHE A 84 5.388 -3.799 15.462 1.00 0.00 C ATOM 1389 CD2 PHE A 84 7.509 -4.866 15.680 1.00 0.00 C ATOM 1390 CE1 PHE A 84 4.772 -5.034 15.372 1.00 0.00 C ATOM 1391 CE2 PHE A 84 6.901 -6.104 15.589 1.00 0.00 C ATOM 1392 CZ PHE A 84 5.531 -6.187 15.435 1.00 0.00 C ATOM 0 H PHE A 84 5.614 -0.742 16.844 1.00 0.00 H new ATOM 0 HA PHE A 84 7.792 -2.506 17.816 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.936 -1.665 15.029 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.464 -2.451 15.372 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.791 -2.900 15.410 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.581 -4.806 15.801 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.700 -5.097 15.253 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.496 -7.004 15.638 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.053 -7.153 15.364 1.00 0.00 H new ATOM 1402 N ILE A 85 9.486 -0.618 16.529 1.00 0.00 N ATOM 1403 CA ILE A 85 10.393 0.515 16.437 1.00 0.00 C ATOM 1404 C ILE A 85 10.604 0.896 14.979 1.00 0.00 C ATOM 1405 O ILE A 85 10.244 0.135 14.076 1.00 0.00 O ATOM 1406 CB ILE A 85 11.767 0.255 17.111 1.00 0.00 C ATOM 1407 CG1 ILE A 85 12.399 -1.064 16.631 1.00 0.00 C ATOM 1408 CG2 ILE A 85 11.630 0.270 18.629 1.00 0.00 C ATOM 1409 CD1 ILE A 85 11.870 -2.308 17.318 1.00 0.00 C ATOM 0 H ILE A 85 9.811 -1.460 16.054 1.00 0.00 H new ATOM 0 HA ILE A 85 9.922 1.335 16.979 1.00 0.00 H new ATOM 0 HB ILE A 85 12.437 1.062 16.814 1.00 0.00 H new ATOM 0 HG12 ILE A 85 12.234 -1.160 15.558 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.477 -1.011 16.785 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.603 0.086 19.084 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.257 1.242 18.951 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.932 -0.507 18.939 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.373 -3.187 16.916 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.059 -2.240 18.389 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.797 -2.392 17.144 1.00 0.00 H new ATOM 1421 N ASN A 86 11.197 2.067 14.758 1.00 0.00 N ATOM 1422 CA ASN A 86 11.359 2.627 13.415 1.00 0.00 C ATOM 1423 C ASN A 86 12.086 1.662 12.477 1.00 0.00 C ATOM 1424 O ASN A 86 11.720 1.526 11.309 1.00 0.00 O ATOM 1425 CB ASN A 86 12.114 3.959 13.490 1.00 0.00 C ATOM 1426 CG ASN A 86 12.153 4.686 12.159 1.00 0.00 C ATOM 1427 OD1 ASN A 86 11.253 5.458 11.834 1.00 0.00 O ATOM 1428 ND2 ASN A 86 13.205 4.463 11.389 1.00 0.00 N ATOM 0 H ASN A 86 11.578 2.654 15.500 1.00 0.00 H new ATOM 0 HA ASN A 86 10.363 2.795 13.005 1.00 0.00 H new ATOM 0 HB2 ASN A 86 11.641 4.599 14.235 1.00 0.00 H new ATOM 0 HB3 ASN A 86 13.134 3.775 13.829 1.00 0.00 H new ATOM 0 HD21 ASN A 86 13.290 4.939 10.491 1.00 0.00 H new ATOM 0 HD22 ASN A 86 13.932 3.815 11.693 1.00 0.00 H new ATOM 1435 N SER A 87 13.101 0.984 12.999 1.00 0.00 N ATOM 1436 CA SER A 87 13.891 0.051 12.203 1.00 0.00 C ATOM 1437 C SER A 87 13.028 -1.088 11.656 1.00 0.00 C ATOM 1438 O SER A 87 13.008 -1.341 10.452 1.00 0.00 O ATOM 1439 CB SER A 87 15.035 -0.507 13.049 1.00 0.00 C ATOM 1440 OG SER A 87 14.566 -0.952 14.311 1.00 0.00 O ATOM 0 H SER A 87 13.397 1.063 13.972 1.00 0.00 H new ATOM 0 HA SER A 87 14.302 0.591 11.350 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.511 -1.334 12.522 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.795 0.261 13.190 1.00 0.00 H new ATOM 0 HG SER A 87 15.316 -1.306 14.833 1.00 0.00 H new ATOM 1446 N ARG A 88 12.296 -1.754 12.544 1.00 0.00 N ATOM 1447 CA ARG A 88 11.461 -2.882 12.149 1.00 0.00 C ATOM 1448 C ARG A 88 10.269 -2.417 11.323 1.00 0.00 C ATOM 1449 O ARG A 88 9.783 -3.148 10.462 1.00 0.00 O ATOM 1450 CB ARG A 88 10.983 -3.661 13.376 1.00 0.00 C ATOM 1451 CG ARG A 88 12.108 -4.319 14.155 1.00 0.00 C ATOM 1452 CD ARG A 88 11.575 -5.260 15.221 1.00 0.00 C ATOM 1453 NE ARG A 88 12.653 -5.871 15.994 1.00 0.00 N ATOM 1454 CZ ARG A 88 12.851 -7.186 16.093 1.00 0.00 C ATOM 1455 NH1 ARG A 88 12.045 -8.032 15.458 1.00 0.00 N ATOM 1456 NH2 ARG A 88 13.858 -7.651 16.823 1.00 0.00 N ATOM 0 H ARG A 88 12.264 -1.532 13.539 1.00 0.00 H new ATOM 0 HA ARG A 88 12.068 -3.544 11.532 1.00 0.00 H new ATOM 0 HB2 ARG A 88 10.442 -2.984 14.037 1.00 0.00 H new ATOM 0 HB3 ARG A 88 10.277 -4.427 13.057 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.751 -4.872 13.470 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.725 -3.551 14.622 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.913 -4.712 15.891 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.977 -6.041 14.751 1.00 0.00 H new ATOM 0 HE ARG A 88 13.295 -5.253 16.490 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.274 -7.675 14.894 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.198 -9.037 15.535 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.479 -7.003 17.307 1.00 0.00 H new ATOM 0 HH22 ARG A 88 14.011 -8.657 16.900 1.00 0.00 H new ATOM 1470 N ALA A 89 9.807 -1.199 11.578 1.00 0.00 N ATOM 1471 CA ALA A 89 8.718 -0.623 10.802 1.00 0.00 C ATOM 1472 C ALA A 89 9.136 -0.467 9.346 1.00 0.00 C ATOM 1473 O ALA A 89 8.364 -0.759 8.432 1.00 0.00 O ATOM 1474 CB ALA A 89 8.300 0.716 11.384 1.00 0.00 C ATOM 0 H ALA A 89 10.169 -0.593 12.314 1.00 0.00 H new ATOM 0 HA ALA A 89 7.862 -1.297 10.848 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.485 1.132 10.791 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.967 0.578 12.413 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.148 1.401 11.366 1.00 0.00 H new ATOM 1480 N LEU A 90 10.375 -0.020 9.146 1.00 0.00 N ATOM 1481 CA LEU A 90 10.950 0.099 7.811 1.00 0.00 C ATOM 1482 C LEU A 90 10.975 -1.268 7.129 1.00 0.00 C ATOM 1483 O LEU A 90 10.578 -1.412 5.969 1.00 0.00 O ATOM 1484 CB LEU A 90 12.375 0.660 7.905 1.00 0.00 C ATOM 1485 CG LEU A 90 13.083 0.899 6.572 1.00 0.00 C ATOM 1486 CD1 LEU A 90 12.479 2.091 5.856 1.00 0.00 C ATOM 1487 CD2 LEU A 90 14.575 1.105 6.790 1.00 0.00 C ATOM 0 H LEU A 90 11.002 0.267 9.898 1.00 0.00 H new ATOM 0 HA LEU A 90 10.336 0.779 7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.339 1.603 8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.978 -0.028 8.497 1.00 0.00 H new ATOM 0 HG LEU A 90 12.946 0.017 5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.995 2.246 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.422 1.904 5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.585 2.980 6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.063 1.274 5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.733 1.970 7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.999 0.219 7.262 1.00 0.00 H new ATOM 1499 N GLU A 91 11.428 -2.270 7.873 1.00 0.00 N ATOM 1500 CA GLU A 91 11.537 -3.631 7.363 1.00 0.00 C ATOM 1501 C GLU A 91 10.167 -4.201 6.982 1.00 0.00 C ATOM 1502 O GLU A 91 10.009 -4.802 5.915 1.00 0.00 O ATOM 1503 CB GLU A 91 12.211 -4.526 8.404 1.00 0.00 C ATOM 1504 CG GLU A 91 13.631 -4.098 8.744 1.00 0.00 C ATOM 1505 CD GLU A 91 14.261 -4.958 9.819 1.00 0.00 C ATOM 1506 OE1 GLU A 91 14.497 -6.158 9.563 1.00 0.00 O ATOM 1507 OE2 GLU A 91 14.539 -4.438 10.919 1.00 0.00 O ATOM 0 H GLU A 91 11.729 -2.163 8.842 1.00 0.00 H new ATOM 0 HA GLU A 91 12.147 -3.604 6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.612 -4.525 9.315 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.228 -5.551 8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.244 -4.142 7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.623 -3.059 9.074 1.00 0.00 H new ATOM 1514 N LEU A 92 9.180 -4.008 7.850 1.00 0.00 N ATOM 1515 CA LEU A 92 7.831 -4.503 7.597 1.00 0.00 C ATOM 1516 C LEU A 92 7.194 -3.762 6.424 1.00 0.00 C ATOM 1517 O LEU A 92 6.458 -4.353 5.632 1.00 0.00 O ATOM 1518 CB LEU A 92 6.940 -4.334 8.831 1.00 0.00 C ATOM 1519 CG LEU A 92 7.377 -5.069 10.097 1.00 0.00 C ATOM 1520 CD1 LEU A 92 6.440 -4.717 11.246 1.00 0.00 C ATOM 1521 CD2 LEU A 92 7.399 -6.573 9.867 1.00 0.00 C ATOM 0 H LEU A 92 9.288 -3.512 8.735 1.00 0.00 H new ATOM 0 HA LEU A 92 7.915 -5.563 7.358 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.874 -3.270 9.060 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.935 -4.667 8.573 1.00 0.00 H new ATOM 0 HG LEU A 92 8.388 -4.754 10.355 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.755 -5.243 12.147 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.471 -3.642 11.424 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.423 -5.013 10.990 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.713 -7.076 10.781 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.401 -6.913 9.590 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.099 -6.808 9.065 1.00 0.00 H new ATOM 1533 N ALA A 93 7.466 -2.465 6.324 1.00 0.00 N ATOM 1534 CA ALA A 93 6.936 -1.649 5.235 1.00 0.00 C ATOM 1535 C ALA A 93 7.422 -2.175 3.892 1.00 0.00 C ATOM 1536 O ALA A 93 6.629 -2.389 2.972 1.00 0.00 O ATOM 1537 CB ALA A 93 7.330 -0.190 5.417 1.00 0.00 C ATOM 0 H ALA A 93 8.052 -1.955 6.985 1.00 0.00 H new ATOM 0 HA ALA A 93 5.848 -1.712 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.926 0.401 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.930 0.180 6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.417 -0.105 5.425 1.00 0.00 H new ATOM 1543 N PHE A 94 8.727 -2.408 3.798 1.00 0.00 N ATOM 1544 CA PHE A 94 9.313 -2.996 2.603 1.00 0.00 C ATOM 1545 C PHE A 94 8.693 -4.354 2.306 1.00 0.00 C ATOM 1546 O PHE A 94 8.506 -4.715 1.148 1.00 0.00 O ATOM 1547 CB PHE A 94 10.826 -3.153 2.764 1.00 0.00 C ATOM 1548 CG PHE A 94 11.622 -1.954 2.339 1.00 0.00 C ATOM 1549 CD1 PHE A 94 11.819 -0.887 3.199 1.00 0.00 C ATOM 1550 CD2 PHE A 94 12.183 -1.902 1.073 1.00 0.00 C ATOM 1551 CE1 PHE A 94 12.559 0.210 2.805 1.00 0.00 C ATOM 1552 CE2 PHE A 94 12.925 -0.808 0.673 1.00 0.00 C ATOM 1553 CZ PHE A 94 13.114 0.249 1.542 1.00 0.00 C ATOM 0 H PHE A 94 9.398 -2.198 4.537 1.00 0.00 H new ATOM 0 HA PHE A 94 9.109 -2.323 1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 94 11.047 -3.369 3.809 1.00 0.00 H new ATOM 0 HB3 PHE A 94 11.153 -4.016 2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 94 11.389 -0.913 4.189 1.00 0.00 H new ATOM 0 HD2 PHE A 94 12.038 -2.727 0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 94 12.703 1.037 3.485 1.00 0.00 H new ATOM 0 HE2 PHE A 94 13.356 -0.779 -0.317 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.696 1.105 1.233 1.00 0.00 H new ATOM 1563 N ARG A 95 8.358 -5.089 3.360 1.00 0.00 N ATOM 1564 CA ARG A 95 7.825 -6.439 3.221 1.00 0.00 C ATOM 1565 C ARG A 95 6.384 -6.423 2.712 1.00 0.00 C ATOM 1566 O ARG A 95 5.957 -7.336 2.006 1.00 0.00 O ATOM 1567 CB ARG A 95 7.888 -7.170 4.562 1.00 0.00 C ATOM 1568 CG ARG A 95 7.638 -8.664 4.452 1.00 0.00 C ATOM 1569 CD ARG A 95 8.744 -9.340 3.667 1.00 0.00 C ATOM 1570 NE ARG A 95 8.567 -10.789 3.601 1.00 0.00 N ATOM 1571 CZ ARG A 95 9.032 -11.557 2.618 1.00 0.00 C ATOM 1572 NH1 ARG A 95 9.679 -11.023 1.592 1.00 0.00 N ATOM 1573 NH2 ARG A 95 8.846 -12.869 2.658 1.00 0.00 N ATOM 0 H ARG A 95 8.447 -4.771 4.325 1.00 0.00 H new ATOM 0 HA ARG A 95 8.439 -6.964 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.868 -7.006 5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.152 -6.736 5.238 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.575 -9.101 5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.679 -8.842 3.965 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.771 -8.933 2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.705 -9.114 4.128 1.00 0.00 H new ATOM 0 HE ARG A 95 8.054 -11.242 4.357 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.825 -10.014 1.550 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.031 -11.621 0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.347 -13.290 3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.202 -13.458 1.905 1.00 0.00 H new ATOM 1587 N HIS A 96 5.641 -5.385 3.075 1.00 0.00 N ATOM 1588 CA HIS A 96 4.235 -5.283 2.692 1.00 0.00 C ATOM 1589 C HIS A 96 4.077 -4.745 1.278 1.00 0.00 C ATOM 1590 O HIS A 96 3.288 -5.265 0.494 1.00 0.00 O ATOM 1591 CB HIS A 96 3.461 -4.393 3.666 1.00 0.00 C ATOM 1592 CG HIS A 96 3.199 -5.038 4.989 1.00 0.00 C ATOM 1593 ND1 HIS A 96 3.509 -4.446 6.194 1.00 0.00 N ATOM 1594 CD2 HIS A 96 2.637 -6.230 5.290 1.00 0.00 C ATOM 1595 CE1 HIS A 96 3.149 -5.247 7.178 1.00 0.00 C ATOM 1596 NE2 HIS A 96 2.620 -6.334 6.655 1.00 0.00 N ATOM 0 H HIS A 96 5.985 -4.603 3.632 1.00 0.00 H new ATOM 0 HA HIS A 96 3.824 -6.292 2.728 1.00 0.00 H new ATOM 0 HB2 HIS A 96 4.020 -3.471 3.825 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.510 -4.114 3.213 1.00 0.00 H new ATOM 0 HD1 HIS A 96 3.948 -3.532 6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.270 -6.962 4.586 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.268 -5.046 8.232 1.00 0.00 H new ATOM 1605 N ILE A 97 4.821 -3.698 0.962 1.00 0.00 N ATOM 1606 CA ILE A 97 4.703 -3.059 -0.338 1.00 0.00 C ATOM 1607 C ILE A 97 5.555 -3.781 -1.379 1.00 0.00 C ATOM 1608 O ILE A 97 5.031 -4.520 -2.207 1.00 0.00 O ATOM 1609 CB ILE A 97 5.098 -1.567 -0.266 1.00 0.00 C ATOM 1610 CG1 ILE A 97 4.231 -0.849 0.777 1.00 0.00 C ATOM 1611 CG2 ILE A 97 4.951 -0.902 -1.631 1.00 0.00 C ATOM 1612 CD1 ILE A 97 4.581 0.610 0.977 1.00 0.00 C ATOM 0 H ILE A 97 5.510 -3.274 1.584 1.00 0.00 H new ATOM 0 HA ILE A 97 3.658 -3.121 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 97 6.144 -1.496 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.186 -0.922 0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.326 -1.368 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.234 0.148 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.598 -1.402 -2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.915 -0.976 -1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.922 1.042 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.616 0.694 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.458 1.146 0.036 1.00 0.00 H new ATOM 1624 N LEU A 98 6.868 -3.595 -1.311 1.00 0.00 N ATOM 1625 CA LEU A 98 7.773 -4.180 -2.297 1.00 0.00 C ATOM 1626 C LEU A 98 7.869 -5.694 -2.127 1.00 0.00 C ATOM 1627 O LEU A 98 8.163 -6.419 -3.075 1.00 0.00 O ATOM 1628 CB LEU A 98 9.166 -3.553 -2.186 1.00 0.00 C ATOM 1629 CG LEU A 98 9.227 -2.039 -2.410 1.00 0.00 C ATOM 1630 CD1 LEU A 98 10.662 -1.548 -2.302 1.00 0.00 C ATOM 1631 CD2 LEU A 98 8.645 -1.673 -3.768 1.00 0.00 C ATOM 0 H LEU A 98 7.330 -3.046 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 98 7.367 -3.970 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.567 -3.773 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.822 -4.037 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 98 8.630 -1.553 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 98 10.691 -0.470 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 98 11.051 -1.777 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 98 11.274 -2.044 -3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.698 -0.593 -3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.215 -2.169 -4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.605 -1.995 -3.817 1.00 0.00 H new ATOM 1643 N GLY A 99 7.635 -6.157 -0.906 1.00 0.00 N ATOM 1644 CA GLY A 99 7.685 -7.577 -0.622 1.00 0.00 C ATOM 1645 C GLY A 99 9.100 -8.081 -0.482 1.00 0.00 C ATOM 1646 O GLY A 99 9.361 -9.275 -0.621 1.00 0.00 O ATOM 0 H GLY A 99 7.410 -5.570 -0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.136 -7.781 0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.184 -8.123 -1.421 1.00 0.00 H new ATOM 1650 N ARG A 100 10.017 -7.170 -0.198 1.00 0.00 N ATOM 1651 CA ARG A 100 11.426 -7.515 -0.081 1.00 0.00 C ATOM 1652 C ARG A 100 12.038 -6.808 1.119 1.00 0.00 C ATOM 1653 O ARG A 100 11.325 -6.225 1.935 1.00 0.00 O ATOM 1654 CB ARG A 100 12.190 -7.121 -1.350 1.00 0.00 C ATOM 1655 CG ARG A 100 11.586 -7.656 -2.637 1.00 0.00 C ATOM 1656 CD ARG A 100 12.486 -7.377 -3.828 1.00 0.00 C ATOM 1657 NE ARG A 100 12.922 -5.981 -3.880 1.00 0.00 N ATOM 1658 CZ ARG A 100 13.538 -5.428 -4.922 1.00 0.00 C ATOM 1659 NH1 ARG A 100 13.784 -6.142 -6.016 1.00 0.00 N ATOM 1660 NH2 ARG A 100 13.915 -4.157 -4.860 1.00 0.00 N ATOM 0 H ARG A 100 9.811 -6.183 -0.044 1.00 0.00 H new ATOM 0 HA ARG A 100 11.502 -8.594 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.236 -6.034 -1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.216 -7.479 -1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.423 -8.730 -2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.610 -7.198 -2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.360 -8.027 -3.780 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.955 -7.624 -4.747 1.00 0.00 H new ATOM 0 HE ARG A 100 12.742 -5.394 -3.065 1.00 0.00 H new ATOM 0 HH11 ARG A 100 13.500 -7.121 -6.061 1.00 0.00 H new ATOM 0 HH12 ARG A 100 14.257 -5.711 -6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 100 13.732 -3.611 -4.018 1.00 0.00 H new ATOM 0 HH22 ARG A 100 14.388 -3.726 -5.654 1.00 0.00 H new ATOM 1674 N GLY A 101 13.354 -6.868 1.220 1.00 0.00 N ATOM 1675 CA GLY A 101 14.050 -6.156 2.264 1.00 0.00 C ATOM 1676 C GLY A 101 15.190 -5.335 1.702 1.00 0.00 C ATOM 1677 O GLY A 101 15.799 -5.729 0.702 1.00 0.00 O ATOM 0 H GLY A 101 13.955 -7.401 0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.353 -5.503 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.436 -6.865 2.996 1.00 0.00 H new ATOM 1681 N PRO A 102 15.495 -4.179 2.309 1.00 0.00 N ATOM 1682 CA PRO A 102 16.585 -3.317 1.851 1.00 0.00 C ATOM 1683 C PRO A 102 17.921 -4.050 1.889 1.00 0.00 C ATOM 1684 O PRO A 102 18.431 -4.396 2.960 1.00 0.00 O ATOM 1685 CB PRO A 102 16.568 -2.140 2.833 1.00 0.00 C ATOM 1686 CG PRO A 102 15.796 -2.624 4.017 1.00 0.00 C ATOM 1687 CD PRO A 102 14.809 -3.625 3.487 1.00 0.00 C ATOM 0 HA PRO A 102 16.458 -2.998 0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.580 -1.849 3.116 1.00 0.00 H new ATOM 0 HB3 PRO A 102 16.097 -1.264 2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.457 -3.080 4.754 1.00 0.00 H new ATOM 0 HG3 PRO A 102 15.286 -1.799 4.514 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.584 -4.397 4.223 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.863 -3.155 3.218 1.00 0.00 H new ATOM 1695 N SER A 103 18.470 -4.304 0.715 1.00 0.00 N ATOM 1696 CA SER A 103 19.669 -5.118 0.592 1.00 0.00 C ATOM 1697 C SER A 103 20.915 -4.241 0.510 1.00 0.00 C ATOM 1698 O SER A 103 22.024 -4.685 0.812 1.00 0.00 O ATOM 1699 CB SER A 103 19.554 -6.006 -0.645 1.00 0.00 C ATOM 1700 OG SER A 103 18.326 -6.724 -0.634 1.00 0.00 O ATOM 0 H SER A 103 18.104 -3.957 -0.172 1.00 0.00 H new ATOM 0 HA SER A 103 19.763 -5.746 1.478 1.00 0.00 H new ATOM 0 HB2 SER A 103 19.616 -5.394 -1.545 1.00 0.00 H new ATOM 0 HB3 SER A 103 20.390 -6.705 -0.676 1.00 0.00 H new ATOM 0 HG SER A 103 18.269 -7.286 -1.435 1.00 0.00 H new ATOM 1706 N SER A 104 20.724 -2.995 0.112 1.00 0.00 N ATOM 1707 CA SER A 104 21.826 -2.057 0.004 1.00 0.00 C ATOM 1708 C SER A 104 21.889 -1.181 1.253 1.00 0.00 C ATOM 1709 O SER A 104 20.854 -0.778 1.787 1.00 0.00 O ATOM 1710 CB SER A 104 21.652 -1.197 -1.251 1.00 0.00 C ATOM 1711 OG SER A 104 22.667 -0.214 -1.357 1.00 0.00 O ATOM 0 H SER A 104 19.814 -2.610 -0.142 1.00 0.00 H new ATOM 0 HA SER A 104 22.763 -2.608 -0.078 1.00 0.00 H new ATOM 0 HB2 SER A 104 21.669 -1.835 -2.135 1.00 0.00 H new ATOM 0 HB3 SER A 104 20.676 -0.712 -1.227 1.00 0.00 H new ATOM 0 HG SER A 104 22.526 0.315 -2.170 1.00 0.00 H new ATOM 1717 N ARG A 105 23.099 -0.894 1.719 1.00 0.00 N ATOM 1718 CA ARG A 105 23.290 -0.055 2.897 1.00 0.00 C ATOM 1719 C ARG A 105 22.790 1.358 2.628 1.00 0.00 C ATOM 1720 O ARG A 105 22.159 1.978 3.487 1.00 0.00 O ATOM 1721 CB ARG A 105 24.766 -0.030 3.309 1.00 0.00 C ATOM 1722 CG ARG A 105 25.265 -1.361 3.850 1.00 0.00 C ATOM 1723 CD ARG A 105 24.570 -1.721 5.150 1.00 0.00 C ATOM 1724 NE ARG A 105 24.909 -3.068 5.606 1.00 0.00 N ATOM 1725 CZ ARG A 105 24.991 -3.417 6.891 1.00 0.00 C ATOM 1726 NH1 ARG A 105 24.849 -2.506 7.844 1.00 0.00 N ATOM 1727 NH2 ARG A 105 25.238 -4.675 7.229 1.00 0.00 N ATOM 0 H ARG A 105 23.965 -1.231 1.298 1.00 0.00 H new ATOM 0 HA ARG A 105 22.712 -0.479 3.718 1.00 0.00 H new ATOM 0 HB2 ARG A 105 25.371 0.254 2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 105 24.911 0.739 4.068 1.00 0.00 H new ATOM 0 HG2 ARG A 105 25.091 -2.144 3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 105 26.342 -1.310 4.012 1.00 0.00 H new ATOM 0 HD2 ARG A 105 24.846 -0.999 5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 105 23.491 -1.646 5.015 1.00 0.00 H new ATOM 0 HE ARG A 105 25.093 -3.782 4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 105 24.676 -1.532 7.596 1.00 0.00 H new ATOM 0 HH12 ARG A 105 24.913 -2.780 8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 105 25.366 -5.382 6.505 1.00 0.00 H new ATOM 0 HH22 ARG A 105 25.300 -4.936 8.213 1.00 0.00 H new ATOM 1741 N GLU A 106 23.063 1.854 1.424 1.00 0.00 N ATOM 1742 CA GLU A 106 22.538 3.144 0.990 1.00 0.00 C ATOM 1743 C GLU A 106 21.016 3.116 1.012 1.00 0.00 C ATOM 1744 O GLU A 106 20.372 4.045 1.491 1.00 0.00 O ATOM 1745 CB GLU A 106 23.009 3.472 -0.427 1.00 0.00 C ATOM 1746 CG GLU A 106 24.506 3.673 -0.560 1.00 0.00 C ATOM 1747 CD GLU A 106 24.910 3.956 -1.989 1.00 0.00 C ATOM 1748 OE1 GLU A 106 24.617 5.061 -2.486 1.00 0.00 O ATOM 1749 OE2 GLU A 106 25.506 3.066 -2.633 1.00 0.00 O ATOM 0 H GLU A 106 23.645 1.382 0.732 1.00 0.00 H new ATOM 0 HA GLU A 106 22.907 3.909 1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 106 22.702 2.666 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 106 22.502 4.376 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 106 24.820 4.500 0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.025 2.783 -0.205 1.00 0.00 H new ATOM 1756 N GLU A 107 20.467 2.023 0.496 1.00 0.00 N ATOM 1757 CA GLU A 107 19.025 1.832 0.392 1.00 0.00 C ATOM 1758 C GLU A 107 18.358 1.858 1.767 1.00 0.00 C ATOM 1759 O GLU A 107 17.326 2.510 1.950 1.00 0.00 O ATOM 1760 CB GLU A 107 18.751 0.507 -0.326 1.00 0.00 C ATOM 1761 CG GLU A 107 17.283 0.149 -0.462 1.00 0.00 C ATOM 1762 CD GLU A 107 17.080 -1.078 -1.327 1.00 0.00 C ATOM 1763 OE1 GLU A 107 17.437 -2.193 -0.886 1.00 0.00 O ATOM 1764 OE2 GLU A 107 16.574 -0.931 -2.458 1.00 0.00 O ATOM 0 H GLU A 107 21.012 1.240 0.136 1.00 0.00 H new ATOM 0 HA GLU A 107 18.597 2.653 -0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 107 19.194 0.551 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 107 19.257 -0.294 0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.859 -0.029 0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.742 0.991 -0.893 1.00 0.00 H new ATOM 1771 N VAL A 108 18.955 1.159 2.733 1.00 0.00 N ATOM 1772 CA VAL A 108 18.435 1.145 4.099 1.00 0.00 C ATOM 1773 C VAL A 108 18.312 2.564 4.640 1.00 0.00 C ATOM 1774 O VAL A 108 17.227 3.009 5.004 1.00 0.00 O ATOM 1775 CB VAL A 108 19.332 0.330 5.061 1.00 0.00 C ATOM 1776 CG1 VAL A 108 18.750 0.339 6.469 1.00 0.00 C ATOM 1777 CG2 VAL A 108 19.507 -1.100 4.574 1.00 0.00 C ATOM 0 H VAL A 108 19.795 0.598 2.595 1.00 0.00 H new ATOM 0 HA VAL A 108 17.455 0.670 4.051 1.00 0.00 H new ATOM 0 HB VAL A 108 20.314 0.803 5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 108 19.393 -0.239 7.132 1.00 0.00 H new ATOM 0 HG12 VAL A 108 18.686 1.366 6.830 1.00 0.00 H new ATOM 0 HG13 VAL A 108 17.754 -0.103 6.454 1.00 0.00 H new ATOM 0 HG21 VAL A 108 20.142 -1.647 5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 108 18.533 -1.585 4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 108 19.972 -1.094 3.588 1.00 0.00 H new ATOM 1787 N GLN A 109 19.433 3.273 4.655 1.00 0.00 N ATOM 1788 CA GLN A 109 19.489 4.619 5.214 1.00 0.00 C ATOM 1789 C GLN A 109 18.683 5.612 4.381 1.00 0.00 C ATOM 1790 O GLN A 109 18.199 6.617 4.902 1.00 0.00 O ATOM 1791 CB GLN A 109 20.945 5.074 5.327 1.00 0.00 C ATOM 1792 CG GLN A 109 21.695 4.388 6.457 1.00 0.00 C ATOM 1793 CD GLN A 109 23.201 4.525 6.347 1.00 0.00 C ATOM 1794 OE1 GLN A 109 23.718 5.484 5.770 1.00 0.00 O ATOM 1795 NE2 GLN A 109 23.914 3.566 6.914 1.00 0.00 N ATOM 0 H GLN A 109 20.322 2.936 4.284 1.00 0.00 H new ATOM 0 HA GLN A 109 19.041 4.590 6.207 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.456 4.875 4.385 1.00 0.00 H new ATOM 0 HB3 GLN A 109 20.972 6.153 5.482 1.00 0.00 H new ATOM 0 HG2 GLN A 109 21.367 4.807 7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 109 21.433 3.330 6.468 1.00 0.00 H new ATOM 0 HE21 GLN A 109 23.445 2.790 7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 109 24.933 3.602 6.884 1.00 0.00 H new ATOM 1804 N LYS A 110 18.529 5.317 3.097 1.00 0.00 N ATOM 1805 CA LYS A 110 17.811 6.200 2.186 1.00 0.00 C ATOM 1806 C LYS A 110 16.350 6.315 2.602 1.00 0.00 C ATOM 1807 O LYS A 110 15.795 7.407 2.664 1.00 0.00 O ATOM 1808 CB LYS A 110 17.924 5.669 0.749 1.00 0.00 C ATOM 1809 CG LYS A 110 17.650 6.703 -0.334 1.00 0.00 C ATOM 1810 CD LYS A 110 16.165 6.982 -0.514 1.00 0.00 C ATOM 1811 CE LYS A 110 15.927 8.013 -1.604 1.00 0.00 C ATOM 1812 NZ LYS A 110 16.429 9.360 -1.225 1.00 0.00 N ATOM 0 H LYS A 110 18.893 4.470 2.661 1.00 0.00 H new ATOM 0 HA LYS A 110 18.257 7.194 2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 110 18.926 5.266 0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 110 17.226 4.840 0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 110 18.163 7.632 -0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 110 18.067 6.354 -1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 110 15.647 6.057 -0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 110 15.743 7.338 0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 110 16.419 7.689 -2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 110 14.860 8.072 -1.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 16.098 10.061 -1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 16.072 9.610 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 17.469 9.352 -1.211 1.00 0.00 H new ATOM 1826 N TYR A 111 15.735 5.183 2.900 1.00 0.00 N ATOM 1827 CA TYR A 111 14.337 5.171 3.301 1.00 0.00 C ATOM 1828 C TYR A 111 14.197 5.312 4.813 1.00 0.00 C ATOM 1829 O TYR A 111 13.163 5.765 5.309 1.00 0.00 O ATOM 1830 CB TYR A 111 13.654 3.898 2.806 1.00 0.00 C ATOM 1831 CG TYR A 111 13.544 3.833 1.300 1.00 0.00 C ATOM 1832 CD1 TYR A 111 12.454 4.386 0.643 1.00 0.00 C ATOM 1833 CD2 TYR A 111 14.534 3.227 0.535 1.00 0.00 C ATOM 1834 CE1 TYR A 111 12.350 4.335 -0.733 1.00 0.00 C ATOM 1835 CE2 TYR A 111 14.437 3.171 -0.840 1.00 0.00 C ATOM 1836 CZ TYR A 111 13.344 3.727 -1.470 1.00 0.00 C ATOM 1837 OH TYR A 111 13.248 3.675 -2.842 1.00 0.00 O ATOM 0 H TYR A 111 16.178 4.265 2.872 1.00 0.00 H new ATOM 0 HA TYR A 111 13.843 6.028 2.843 1.00 0.00 H new ATOM 0 HB2 TYR A 111 14.212 3.032 3.162 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.656 3.835 3.241 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.674 4.864 1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 111 15.393 2.793 1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 111 11.495 4.769 -1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 111 15.213 2.694 -1.420 1.00 0.00 H new ATOM 0 HH TYR A 111 14.032 3.214 -3.207 1.00 0.00 H new ATOM 1847 N PHE A 112 15.244 4.935 5.541 1.00 0.00 N ATOM 1848 CA PHE A 112 15.272 5.089 6.993 1.00 0.00 C ATOM 1849 C PHE A 112 15.125 6.560 7.368 1.00 0.00 C ATOM 1850 O PHE A 112 14.411 6.909 8.311 1.00 0.00 O ATOM 1851 CB PHE A 112 16.579 4.525 7.563 1.00 0.00 C ATOM 1852 CG PHE A 112 16.608 4.421 9.063 1.00 0.00 C ATOM 1853 CD1 PHE A 112 16.148 3.278 9.697 1.00 0.00 C ATOM 1854 CD2 PHE A 112 17.101 5.461 9.837 1.00 0.00 C ATOM 1855 CE1 PHE A 112 16.178 3.174 11.074 1.00 0.00 C ATOM 1856 CE2 PHE A 112 17.134 5.361 11.215 1.00 0.00 C ATOM 1857 CZ PHE A 112 16.671 4.216 11.835 1.00 0.00 C ATOM 0 H PHE A 112 16.088 4.519 5.147 1.00 0.00 H new ATOM 0 HA PHE A 112 14.437 4.533 7.420 1.00 0.00 H new ATOM 0 HB2 PHE A 112 16.749 3.535 7.139 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.406 5.157 7.239 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.762 2.459 9.108 1.00 0.00 H new ATOM 0 HD2 PHE A 112 17.463 6.359 9.358 1.00 0.00 H new ATOM 0 HE1 PHE A 112 15.816 2.278 11.556 1.00 0.00 H new ATOM 0 HE2 PHE A 112 17.521 6.177 11.807 1.00 0.00 H new ATOM 0 HZ PHE A 112 16.695 4.136 12.912 1.00 0.00 H new ATOM 1867 N SER A 113 15.789 7.423 6.616 1.00 0.00 N ATOM 1868 CA SER A 113 15.708 8.852 6.853 1.00 0.00 C ATOM 1869 C SER A 113 14.333 9.385 6.467 1.00 0.00 C ATOM 1870 O SER A 113 13.798 10.266 7.130 1.00 0.00 O ATOM 1871 CB SER A 113 16.805 9.573 6.076 1.00 0.00 C ATOM 1872 OG SER A 113 16.892 9.077 4.752 1.00 0.00 O ATOM 0 H SER A 113 16.390 7.157 5.836 1.00 0.00 H new ATOM 0 HA SER A 113 15.854 9.039 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 113 16.599 10.643 6.056 1.00 0.00 H new ATOM 0 HB3 SER A 113 17.762 9.442 6.582 1.00 0.00 H new ATOM 0 HG SER A 113 17.470 8.286 4.736 1.00 0.00 H new ATOM 1878 N ILE A 114 13.755 8.831 5.406 1.00 0.00 N ATOM 1879 CA ILE A 114 12.429 9.242 4.955 1.00 0.00 C ATOM 1880 C ILE A 114 11.384 9.005 6.043 1.00 0.00 C ATOM 1881 O ILE A 114 10.624 9.909 6.394 1.00 0.00 O ATOM 1882 CB ILE A 114 12.002 8.497 3.668 1.00 0.00 C ATOM 1883 CG1 ILE A 114 12.971 8.810 2.524 1.00 0.00 C ATOM 1884 CG2 ILE A 114 10.577 8.876 3.278 1.00 0.00 C ATOM 1885 CD1 ILE A 114 12.646 8.090 1.231 1.00 0.00 C ATOM 0 H ILE A 114 14.183 8.097 4.842 1.00 0.00 H new ATOM 0 HA ILE A 114 12.489 10.308 4.735 1.00 0.00 H new ATOM 0 HB ILE A 114 12.031 7.425 3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 114 12.967 9.885 2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 114 13.982 8.543 2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.294 8.342 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.895 8.607 4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.522 9.950 3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.376 8.363 0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.679 7.013 1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 114 11.649 8.376 0.896 1.00 0.00 H new ATOM 1897 N VAL A 115 11.364 7.795 6.591 1.00 0.00 N ATOM 1898 CA VAL A 115 10.383 7.440 7.611 1.00 0.00 C ATOM 1899 C VAL A 115 10.634 8.199 8.919 1.00 0.00 C ATOM 1900 O VAL A 115 9.704 8.462 9.679 1.00 0.00 O ATOM 1901 CB VAL A 115 10.358 5.913 7.870 1.00 0.00 C ATOM 1902 CG1 VAL A 115 11.696 5.413 8.388 1.00 0.00 C ATOM 1903 CG2 VAL A 115 9.239 5.541 8.831 1.00 0.00 C ATOM 0 H VAL A 115 12.013 7.046 6.348 1.00 0.00 H new ATOM 0 HA VAL A 115 9.406 7.735 7.228 1.00 0.00 H new ATOM 0 HB VAL A 115 10.167 5.424 6.915 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.641 4.338 8.558 1.00 0.00 H new ATOM 0 HG12 VAL A 115 12.473 5.625 7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.935 5.917 9.324 1.00 0.00 H new ATOM 0 HG21 VAL A 115 9.244 4.464 8.996 1.00 0.00 H new ATOM 0 HG22 VAL A 115 9.390 6.054 9.781 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.280 5.839 8.406 1.00 0.00 H new ATOM 1913 N SER A 116 11.883 8.573 9.172 1.00 0.00 N ATOM 1914 CA SER A 116 12.221 9.314 10.381 1.00 0.00 C ATOM 1915 C SER A 116 11.918 10.805 10.213 1.00 0.00 C ATOM 1916 O SER A 116 11.412 11.457 11.128 1.00 0.00 O ATOM 1917 CB SER A 116 13.696 9.109 10.726 1.00 0.00 C ATOM 1918 OG SER A 116 14.005 7.729 10.837 1.00 0.00 O ATOM 0 H SER A 116 12.675 8.376 8.559 1.00 0.00 H new ATOM 0 HA SER A 116 11.608 8.934 11.198 1.00 0.00 H new ATOM 0 HB2 SER A 116 14.320 9.564 9.957 1.00 0.00 H new ATOM 0 HB3 SER A 116 13.927 9.614 11.664 1.00 0.00 H new ATOM 0 HG SER A 116 14.150 7.353 9.944 1.00 0.00 H new ATOM 1924 N SER A 117 12.224 11.334 9.037 1.00 0.00 N ATOM 1925 CA SER A 117 12.022 12.746 8.750 1.00 0.00 C ATOM 1926 C SER A 117 10.537 13.051 8.558 1.00 0.00 C ATOM 1927 O SER A 117 10.013 14.017 9.116 1.00 0.00 O ATOM 1928 CB SER A 117 12.823 13.140 7.503 1.00 0.00 C ATOM 1929 OG SER A 117 12.732 14.529 7.242 1.00 0.00 O ATOM 0 H SER A 117 12.616 10.801 8.261 1.00 0.00 H new ATOM 0 HA SER A 117 12.377 13.333 9.597 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.868 12.862 7.639 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.454 12.583 6.642 1.00 0.00 H new ATOM 0 HG SER A 117 13.255 14.746 6.442 1.00 0.00 H new ATOM 1935 N GLY A 118 9.863 12.216 7.779 1.00 0.00 N ATOM 1936 CA GLY A 118 8.450 12.412 7.533 1.00 0.00 C ATOM 1937 C GLY A 118 7.592 11.607 8.481 1.00 0.00 C ATOM 1938 O GLY A 118 6.956 12.159 9.379 1.00 0.00 O ATOM 0 H GLY A 118 10.271 11.406 7.313 1.00 0.00 H new ATOM 0 HA2 GLY A 118 8.208 13.470 7.635 1.00 0.00 H new ATOM 0 HA3 GLY A 118 8.218 12.129 6.506 1.00 0.00 H new ATOM 1942 N GLY A 119 7.594 10.299 8.294 1.00 0.00 N ATOM 1943 CA GLY A 119 6.786 9.427 9.115 1.00 0.00 C ATOM 1944 C GLY A 119 6.457 8.146 8.392 1.00 0.00 C ATOM 1945 O GLY A 119 6.953 7.916 7.286 1.00 0.00 O ATOM 0 H GLY A 119 8.146 9.822 7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 119 7.316 9.200 10.040 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.864 9.937 9.394 1.00 0.00 H new ATOM 1949 N LEU A 120 5.626 7.312 9.001 1.00 0.00 N ATOM 1950 CA LEU A 120 5.231 6.053 8.380 1.00 0.00 C ATOM 1951 C LEU A 120 4.476 6.288 7.062 1.00 0.00 C ATOM 1952 O LEU A 120 4.830 5.688 6.045 1.00 0.00 O ATOM 1953 CB LEU A 120 4.393 5.199 9.339 1.00 0.00 C ATOM 1954 CG LEU A 120 3.982 3.831 8.789 1.00 0.00 C ATOM 1955 CD1 LEU A 120 5.211 2.980 8.505 1.00 0.00 C ATOM 1956 CD2 LEU A 120 3.054 3.126 9.762 1.00 0.00 C ATOM 0 H LEU A 120 5.214 7.481 9.919 1.00 0.00 H new ATOM 0 HA LEU A 120 6.145 5.506 8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.959 5.050 10.259 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.493 5.753 9.605 1.00 0.00 H new ATOM 0 HG LEU A 120 3.446 3.981 7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.900 2.011 8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.840 3.483 7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.775 2.836 9.427 1.00 0.00 H new ATOM 0 HD21 LEU A 120 2.771 2.155 9.356 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.564 2.986 10.715 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.160 3.730 9.914 1.00 0.00 H new ATOM 1968 N PRO A 121 3.433 7.155 7.039 1.00 0.00 N ATOM 1969 CA PRO A 121 2.709 7.467 5.799 1.00 0.00 C ATOM 1970 C PRO A 121 3.636 7.983 4.699 1.00 0.00 C ATOM 1971 O PRO A 121 3.476 7.628 3.532 1.00 0.00 O ATOM 1972 CB PRO A 121 1.717 8.554 6.215 1.00 0.00 C ATOM 1973 CG PRO A 121 1.532 8.360 7.677 1.00 0.00 C ATOM 1974 CD PRO A 121 2.857 7.879 8.193 1.00 0.00 C ATOM 0 HA PRO A 121 2.232 6.581 5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 121 2.104 9.549 5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.773 8.453 5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 121 1.238 9.291 8.161 1.00 0.00 H new ATOM 0 HG3 PRO A 121 0.746 7.633 7.879 1.00 0.00 H new ATOM 0 HD2 PRO A 121 3.492 8.709 8.504 1.00 0.00 H new ATOM 0 HD3 PRO A 121 2.738 7.226 9.058 1.00 0.00 H new ATOM 1982 N ALA A 122 4.606 8.812 5.078 1.00 0.00 N ATOM 1983 CA ALA A 122 5.575 9.349 4.130 1.00 0.00 C ATOM 1984 C ALA A 122 6.423 8.234 3.526 1.00 0.00 C ATOM 1985 O ALA A 122 6.696 8.231 2.324 1.00 0.00 O ATOM 1986 CB ALA A 122 6.463 10.382 4.803 1.00 0.00 C ATOM 0 H ALA A 122 4.741 9.126 6.039 1.00 0.00 H new ATOM 0 HA ALA A 122 5.025 9.834 3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 122 7.180 10.772 4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 122 5.849 11.199 5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.999 9.917 5.631 1.00 0.00 H new ATOM 1992 N LEU A 123 6.833 7.289 4.367 1.00 0.00 N ATOM 1993 CA LEU A 123 7.595 6.135 3.907 1.00 0.00 C ATOM 1994 C LEU A 123 6.772 5.325 2.914 1.00 0.00 C ATOM 1995 O LEU A 123 7.242 4.992 1.825 1.00 0.00 O ATOM 1996 CB LEU A 123 8.002 5.252 5.092 1.00 0.00 C ATOM 1997 CG LEU A 123 8.766 3.976 4.723 1.00 0.00 C ATOM 1998 CD1 LEU A 123 10.109 4.312 4.094 1.00 0.00 C ATOM 1999 CD2 LEU A 123 8.951 3.095 5.949 1.00 0.00 C ATOM 0 H LEU A 123 6.650 7.301 5.370 1.00 0.00 H new ATOM 0 HA LEU A 123 8.498 6.493 3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.619 5.843 5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 123 7.103 4.972 5.641 1.00 0.00 H new ATOM 0 HG LEU A 123 8.179 3.425 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.633 3.390 3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 123 9.950 4.900 3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.708 4.887 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.495 2.193 5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.515 3.639 6.706 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.975 2.821 6.350 1.00 0.00 H new ATOM 2011 N VAL A 124 5.534 5.027 3.297 1.00 0.00 N ATOM 2012 CA VAL A 124 4.624 4.278 2.442 1.00 0.00 C ATOM 2013 C VAL A 124 4.408 5.009 1.121 1.00 0.00 C ATOM 2014 O VAL A 124 4.473 4.405 0.053 1.00 0.00 O ATOM 2015 CB VAL A 124 3.259 4.053 3.129 1.00 0.00 C ATOM 2016 CG1 VAL A 124 2.284 3.354 2.193 1.00 0.00 C ATOM 2017 CG2 VAL A 124 3.433 3.253 4.411 1.00 0.00 C ATOM 0 H VAL A 124 5.138 5.295 4.198 1.00 0.00 H new ATOM 0 HA VAL A 124 5.082 3.307 2.252 1.00 0.00 H new ATOM 0 HB VAL A 124 2.844 5.029 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 124 1.331 3.208 2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.130 3.966 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 124 2.691 2.386 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.461 3.104 4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.876 2.285 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.087 3.796 5.093 1.00 0.00 H new ATOM 2027 N ASP A 125 4.169 6.314 1.213 1.00 0.00 N ATOM 2028 CA ASP A 125 3.942 7.159 0.040 1.00 0.00 C ATOM 2029 C ASP A 125 5.046 6.968 -0.996 1.00 0.00 C ATOM 2030 O ASP A 125 4.770 6.621 -2.146 1.00 0.00 O ATOM 2031 CB ASP A 125 3.867 8.628 0.471 1.00 0.00 C ATOM 2032 CG ASP A 125 3.701 9.589 -0.692 1.00 0.00 C ATOM 2033 OD1 ASP A 125 2.597 9.653 -1.272 1.00 0.00 O ATOM 2034 OD2 ASP A 125 4.664 10.319 -1.004 1.00 0.00 O ATOM 0 H ASP A 125 4.127 6.817 2.100 1.00 0.00 H new ATOM 0 HA ASP A 125 2.998 6.868 -0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 125 3.032 8.755 1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.774 8.885 1.019 1.00 0.00 H new ATOM 2039 N ALA A 126 6.290 7.152 -0.564 1.00 0.00 N ATOM 2040 CA ALA A 126 7.443 7.049 -1.455 1.00 0.00 C ATOM 2041 C ALA A 126 7.606 5.639 -2.021 1.00 0.00 C ATOM 2042 O ALA A 126 8.041 5.462 -3.158 1.00 0.00 O ATOM 2043 CB ALA A 126 8.706 7.472 -0.724 1.00 0.00 C ATOM 0 H ALA A 126 6.527 7.374 0.403 1.00 0.00 H new ATOM 0 HA ALA A 126 7.269 7.719 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.560 7.392 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.604 8.504 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 126 8.861 6.824 0.139 1.00 0.00 H new ATOM 2049 N LEU A 127 7.259 4.636 -1.227 1.00 0.00 N ATOM 2050 CA LEU A 127 7.383 3.249 -1.658 1.00 0.00 C ATOM 2051 C LEU A 127 6.317 2.895 -2.691 1.00 0.00 C ATOM 2052 O LEU A 127 6.550 2.072 -3.576 1.00 0.00 O ATOM 2053 CB LEU A 127 7.284 2.301 -0.460 1.00 0.00 C ATOM 2054 CG LEU A 127 8.468 2.342 0.506 1.00 0.00 C ATOM 2055 CD1 LEU A 127 8.196 1.458 1.714 1.00 0.00 C ATOM 2056 CD2 LEU A 127 9.744 1.902 -0.197 1.00 0.00 C ATOM 0 H LEU A 127 6.890 4.755 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 127 8.363 3.133 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 127 6.376 2.537 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 127 7.175 1.282 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 127 8.599 3.368 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.048 1.497 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.304 1.812 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.041 0.430 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 127 10.577 1.937 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.623 0.884 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 127 9.947 2.570 -1.034 1.00 0.00 H new ATOM 2068 N VAL A 128 5.156 3.528 -2.583 1.00 0.00 N ATOM 2069 CA VAL A 128 4.044 3.246 -3.482 1.00 0.00 C ATOM 2070 C VAL A 128 4.226 3.938 -4.833 1.00 0.00 C ATOM 2071 O VAL A 128 3.822 3.406 -5.873 1.00 0.00 O ATOM 2072 CB VAL A 128 2.688 3.663 -2.856 1.00 0.00 C ATOM 2073 CG1 VAL A 128 1.546 3.492 -3.849 1.00 0.00 C ATOM 2074 CG2 VAL A 128 2.414 2.854 -1.598 1.00 0.00 C ATOM 0 H VAL A 128 4.960 4.241 -1.881 1.00 0.00 H new ATOM 0 HA VAL A 128 4.035 2.168 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 128 2.752 4.719 -2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 128 0.609 3.792 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 128 1.730 4.114 -4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 128 1.481 2.447 -4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.459 3.158 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.378 1.794 -1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.208 3.029 -0.873 1.00 0.00 H new ATOM 2084 N ASP A 129 4.835 5.117 -4.832 1.00 0.00 N ATOM 2085 CA ASP A 129 5.008 5.865 -6.075 1.00 0.00 C ATOM 2086 C ASP A 129 6.330 5.526 -6.754 1.00 0.00 C ATOM 2087 O ASP A 129 6.595 5.997 -7.860 1.00 0.00 O ATOM 2088 CB ASP A 129 4.897 7.383 -5.851 1.00 0.00 C ATOM 2089 CG ASP A 129 6.116 8.016 -5.198 1.00 0.00 C ATOM 2090 OD1 ASP A 129 7.111 8.279 -5.909 1.00 0.00 O ATOM 2091 OD2 ASP A 129 6.063 8.308 -3.990 1.00 0.00 O ATOM 0 H ASP A 129 5.212 5.572 -4.001 1.00 0.00 H new ATOM 0 HA ASP A 129 4.196 5.562 -6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.723 7.867 -6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.023 7.583 -5.230 1.00 0.00 H new ATOM 2096 N SER A 130 7.144 4.701 -6.099 1.00 0.00 N ATOM 2097 CA SER A 130 8.431 4.284 -6.653 1.00 0.00 C ATOM 2098 C SER A 130 8.252 3.670 -8.043 1.00 0.00 C ATOM 2099 O SER A 130 7.309 2.906 -8.282 1.00 0.00 O ATOM 2100 CB SER A 130 9.109 3.277 -5.715 1.00 0.00 C ATOM 2101 OG SER A 130 8.340 2.091 -5.587 1.00 0.00 O ATOM 0 H SER A 130 6.935 4.307 -5.182 1.00 0.00 H new ATOM 0 HA SER A 130 9.065 5.166 -6.747 1.00 0.00 H new ATOM 0 HB2 SER A 130 10.100 3.031 -6.097 1.00 0.00 H new ATOM 0 HB3 SER A 130 9.250 3.729 -4.733 1.00 0.00 H new ATOM 0 HG SER A 130 7.780 2.149 -4.785 1.00 0.00 H new ATOM 2107 N GLN A 131 9.153 4.000 -8.962 1.00 0.00 N ATOM 2108 CA GLN A 131 9.042 3.517 -10.330 1.00 0.00 C ATOM 2109 C GLN A 131 9.440 2.045 -10.412 1.00 0.00 C ATOM 2110 O GLN A 131 9.130 1.368 -11.385 1.00 0.00 O ATOM 2111 CB GLN A 131 9.889 4.376 -11.281 1.00 0.00 C ATOM 2112 CG GLN A 131 9.781 3.965 -12.745 1.00 0.00 C ATOM 2113 CD GLN A 131 8.349 3.945 -13.261 1.00 0.00 C ATOM 2114 OE1 GLN A 131 7.511 4.841 -12.757 1.00 0.00 O flip ATOM 2115 NE2 GLN A 131 8.001 3.134 -14.122 1.00 0.00 N flip ATOM 0 H GLN A 131 9.962 4.596 -8.785 1.00 0.00 H new ATOM 0 HA GLN A 131 8.001 3.602 -10.643 1.00 0.00 H new ATOM 0 HB2 GLN A 131 9.584 5.418 -11.183 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.933 4.319 -10.974 1.00 0.00 H new ATOM 0 HG2 GLN A 131 10.369 4.653 -13.353 1.00 0.00 H new ATOM 0 HG3 GLN A 131 10.219 2.975 -12.870 1.00 0.00 H new ATOM 0 HE21 GLN A 131 8.672 2.459 -14.487 1.00 0.00 H new ATOM 0 HE22 GLN A 131 7.042 3.139 -14.469 1.00 0.00 H new ATOM 2124 N GLU A 132 10.122 1.550 -9.385 1.00 0.00 N ATOM 2125 CA GLU A 132 10.420 0.125 -9.283 1.00 0.00 C ATOM 2126 C GLU A 132 9.116 -0.663 -9.221 1.00 0.00 C ATOM 2127 O GLU A 132 8.811 -1.482 -10.094 1.00 0.00 O ATOM 2128 CB GLU A 132 11.252 -0.176 -8.024 1.00 0.00 C ATOM 2129 CG GLU A 132 12.694 0.305 -8.073 1.00 0.00 C ATOM 2130 CD GLU A 132 12.827 1.808 -8.213 1.00 0.00 C ATOM 2131 OE1 GLU A 132 12.017 2.543 -7.614 1.00 0.00 O ATOM 2132 OE2 GLU A 132 13.740 2.259 -8.934 1.00 0.00 O ATOM 0 H GLU A 132 10.479 2.113 -8.612 1.00 0.00 H new ATOM 0 HA GLU A 132 10.997 -0.169 -10.160 1.00 0.00 H new ATOM 0 HB2 GLU A 132 10.762 0.282 -7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.250 -1.253 -7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 132 13.206 -0.014 -7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 132 13.201 -0.176 -8.910 1.00 0.00 H new ATOM 2139 N TYR A 133 8.334 -0.371 -8.194 1.00 0.00 N ATOM 2140 CA TYR A 133 7.065 -1.039 -7.975 1.00 0.00 C ATOM 2141 C TYR A 133 6.123 -0.751 -9.130 1.00 0.00 C ATOM 2142 O TYR A 133 5.379 -1.621 -9.556 1.00 0.00 O ATOM 2143 CB TYR A 133 6.462 -0.561 -6.652 1.00 0.00 C ATOM 2144 CG TYR A 133 5.552 -1.561 -5.986 1.00 0.00 C ATOM 2145 CD1 TYR A 133 5.961 -2.874 -5.794 1.00 0.00 C ATOM 2146 CD2 TYR A 133 4.292 -1.191 -5.532 1.00 0.00 C ATOM 2147 CE1 TYR A 133 5.144 -3.791 -5.170 1.00 0.00 C ATOM 2148 CE2 TYR A 133 3.465 -2.105 -4.906 1.00 0.00 C ATOM 2149 CZ TYR A 133 3.896 -3.404 -4.728 1.00 0.00 C ATOM 2150 OH TYR A 133 3.074 -4.325 -4.110 1.00 0.00 O ATOM 0 H TYR A 133 8.562 0.333 -7.492 1.00 0.00 H new ATOM 0 HA TYR A 133 7.221 -2.116 -7.922 1.00 0.00 H new ATOM 0 HB2 TYR A 133 7.272 -0.312 -5.966 1.00 0.00 H new ATOM 0 HB3 TYR A 133 5.903 0.357 -6.832 1.00 0.00 H new ATOM 0 HD1 TYR A 133 6.937 -3.182 -6.140 1.00 0.00 H new ATOM 0 HD2 TYR A 133 3.954 -0.175 -5.670 1.00 0.00 H new ATOM 0 HE1 TYR A 133 5.479 -4.808 -5.028 1.00 0.00 H new ATOM 0 HE2 TYR A 133 2.488 -1.804 -4.558 1.00 0.00 H new ATOM 0 HH TYR A 133 3.512 -4.663 -3.301 1.00 0.00 H new ATOM 2160 N ALA A 134 6.199 0.465 -9.656 1.00 0.00 N ATOM 2161 CA ALA A 134 5.373 0.866 -10.787 1.00 0.00 C ATOM 2162 C ALA A 134 5.768 0.121 -12.060 1.00 0.00 C ATOM 2163 O ALA A 134 4.964 -0.040 -12.971 1.00 0.00 O ATOM 2164 CB ALA A 134 5.470 2.366 -11.002 1.00 0.00 C ATOM 0 H ALA A 134 6.827 1.193 -9.316 1.00 0.00 H new ATOM 0 HA ALA A 134 4.340 0.605 -10.556 1.00 0.00 H new ATOM 0 HB1 ALA A 134 4.848 2.653 -11.850 1.00 0.00 H new ATOM 0 HB2 ALA A 134 5.125 2.885 -10.107 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.506 2.638 -11.203 1.00 0.00 H new ATOM 2170 N ASP A 135 7.016 -0.310 -12.128 1.00 0.00 N ATOM 2171 CA ASP A 135 7.504 -1.067 -13.273 1.00 0.00 C ATOM 2172 C ASP A 135 7.164 -2.545 -13.125 1.00 0.00 C ATOM 2173 O ASP A 135 7.128 -3.285 -14.111 1.00 0.00 O ATOM 2174 CB ASP A 135 9.016 -0.885 -13.418 1.00 0.00 C ATOM 2175 CG ASP A 135 9.577 -1.548 -14.657 1.00 0.00 C ATOM 2176 OD1 ASP A 135 9.308 -1.053 -15.773 1.00 0.00 O ATOM 2177 OD2 ASP A 135 10.310 -2.548 -14.521 1.00 0.00 O ATOM 0 H ASP A 135 7.714 -0.149 -11.402 1.00 0.00 H new ATOM 0 HA ASP A 135 7.014 -0.690 -14.171 1.00 0.00 H new ATOM 0 HB2 ASP A 135 9.247 0.180 -13.447 1.00 0.00 H new ATOM 0 HB3 ASP A 135 9.511 -1.295 -12.538 1.00 0.00 H new ATOM 2182 N TYR A 136 6.901 -2.957 -11.883 1.00 0.00 N ATOM 2183 CA TYR A 136 6.708 -4.363 -11.543 1.00 0.00 C ATOM 2184 C TYR A 136 5.701 -5.058 -12.453 1.00 0.00 C ATOM 2185 O TYR A 136 6.072 -5.959 -13.205 1.00 0.00 O ATOM 2186 CB TYR A 136 6.275 -4.512 -10.083 1.00 0.00 C ATOM 2187 CG TYR A 136 7.363 -5.044 -9.180 1.00 0.00 C ATOM 2188 CD1 TYR A 136 8.418 -4.238 -8.776 1.00 0.00 C ATOM 2189 CD2 TYR A 136 7.334 -6.358 -8.738 1.00 0.00 C ATOM 2190 CE1 TYR A 136 9.418 -4.729 -7.960 1.00 0.00 C ATOM 2191 CE2 TYR A 136 8.326 -6.857 -7.919 1.00 0.00 C ATOM 2192 CZ TYR A 136 9.367 -6.039 -7.533 1.00 0.00 C ATOM 2193 OH TYR A 136 10.365 -6.537 -6.722 1.00 0.00 O ATOM 0 H TYR A 136 6.816 -2.324 -11.088 1.00 0.00 H new ATOM 0 HA TYR A 136 7.672 -4.850 -11.691 1.00 0.00 H new ATOM 0 HB2 TYR A 136 5.947 -3.542 -9.710 1.00 0.00 H new ATOM 0 HB3 TYR A 136 5.415 -5.180 -10.034 1.00 0.00 H new ATOM 0 HD1 TYR A 136 8.458 -3.210 -9.105 1.00 0.00 H new ATOM 0 HD2 TYR A 136 6.521 -7.002 -9.040 1.00 0.00 H new ATOM 0 HE1 TYR A 136 10.235 -4.091 -7.658 1.00 0.00 H new ATOM 0 HE2 TYR A 136 8.287 -7.882 -7.582 1.00 0.00 H new ATOM 0 HH TYR A 136 10.177 -7.475 -6.511 1.00 0.00 H new ATOM 2203 N PHE A 137 4.435 -4.656 -12.405 1.00 0.00 N ATOM 2204 CA PHE A 137 3.423 -5.381 -13.179 1.00 0.00 C ATOM 2205 C PHE A 137 2.233 -4.522 -13.611 1.00 0.00 C ATOM 2206 O PHE A 137 1.781 -4.629 -14.754 1.00 0.00 O ATOM 2207 CB PHE A 137 2.915 -6.587 -12.378 1.00 0.00 C ATOM 2208 CG PHE A 137 2.001 -7.493 -13.159 1.00 0.00 C ATOM 2209 CD1 PHE A 137 2.522 -8.500 -13.955 1.00 0.00 C ATOM 2210 CD2 PHE A 137 0.623 -7.337 -13.101 1.00 0.00 C ATOM 2211 CE1 PHE A 137 1.691 -9.331 -14.681 1.00 0.00 C ATOM 2212 CE2 PHE A 137 -0.213 -8.167 -13.824 1.00 0.00 C ATOM 2213 CZ PHE A 137 0.322 -9.164 -14.615 1.00 0.00 C ATOM 0 H PHE A 137 4.090 -3.864 -11.862 1.00 0.00 H new ATOM 0 HA PHE A 137 3.922 -5.703 -14.093 1.00 0.00 H new ATOM 0 HB2 PHE A 137 3.770 -7.164 -12.027 1.00 0.00 H new ATOM 0 HB3 PHE A 137 2.388 -6.228 -11.494 1.00 0.00 H new ATOM 0 HD1 PHE A 137 3.592 -8.637 -14.009 1.00 0.00 H new ATOM 0 HD2 PHE A 137 0.199 -6.558 -12.484 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.112 -10.110 -15.299 1.00 0.00 H new ATOM 0 HE2 PHE A 137 -1.284 -8.036 -13.770 1.00 0.00 H new ATOM 0 HZ PHE A 137 -0.330 -9.813 -15.182 1.00 0.00 H new ATOM 2223 N GLY A 138 1.730 -3.667 -12.736 1.00 0.00 N ATOM 2224 CA GLY A 138 0.475 -2.998 -13.043 1.00 0.00 C ATOM 2225 C GLY A 138 -0.300 -2.554 -11.814 1.00 0.00 C ATOM 2226 O GLY A 138 0.072 -2.869 -10.685 1.00 0.00 O ATOM 0 H GLY A 138 2.152 -3.425 -11.839 1.00 0.00 H new ATOM 0 HA2 GLY A 138 0.681 -2.127 -13.665 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -0.150 -3.670 -13.632 1.00 0.00 H new ATOM 2230 N GLU A 139 -1.397 -1.840 -12.052 1.00 0.00 N ATOM 2231 CA GLU A 139 -2.153 -1.179 -10.990 1.00 0.00 C ATOM 2232 C GLU A 139 -3.502 -1.855 -10.739 1.00 0.00 C ATOM 2233 O GLU A 139 -4.226 -1.483 -9.815 1.00 0.00 O ATOM 2234 CB GLU A 139 -2.395 0.282 -11.384 1.00 0.00 C ATOM 2235 CG GLU A 139 -3.236 0.422 -12.649 1.00 0.00 C ATOM 2236 CD GLU A 139 -3.428 1.856 -13.093 1.00 0.00 C ATOM 2237 OE1 GLU A 139 -4.310 2.540 -12.538 1.00 0.00 O ATOM 2238 OE2 GLU A 139 -2.712 2.296 -14.020 1.00 0.00 O ATOM 0 H GLU A 139 -1.787 -1.703 -12.984 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.568 -1.245 -10.073 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -2.894 0.797 -10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -1.435 0.777 -11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.762 -0.139 -13.455 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -4.213 -0.031 -12.478 1.00 0.00 H new ATOM 2245 N GLU A 140 -3.838 -2.844 -11.554 1.00 0.00 N ATOM 2246 CA GLU A 140 -5.182 -3.421 -11.532 1.00 0.00 C ATOM 2247 C GLU A 140 -5.279 -4.583 -10.548 1.00 0.00 C ATOM 2248 O GLU A 140 -6.321 -4.805 -9.932 1.00 0.00 O ATOM 2249 CB GLU A 140 -5.598 -3.885 -12.940 1.00 0.00 C ATOM 2250 CG GLU A 140 -4.862 -5.121 -13.455 1.00 0.00 C ATOM 2251 CD GLU A 140 -3.381 -4.891 -13.681 1.00 0.00 C ATOM 2252 OE1 GLU A 140 -2.591 -5.084 -12.733 1.00 0.00 O ATOM 2253 OE2 GLU A 140 -3.004 -4.501 -14.806 1.00 0.00 O ATOM 0 H GLU A 140 -3.206 -3.264 -12.236 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.866 -2.640 -11.200 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -6.668 -4.093 -12.937 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -5.435 -3.065 -13.640 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -4.991 -5.935 -12.741 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -5.319 -5.443 -14.391 1.00 0.00 H new ATOM 2260 N THR A 141 -4.190 -5.310 -10.401 1.00 0.00 N ATOM 2261 CA THR A 141 -4.167 -6.516 -9.606 1.00 0.00 C ATOM 2262 C THR A 141 -4.122 -6.226 -8.108 1.00 0.00 C ATOM 2263 O THR A 141 -3.755 -5.131 -7.685 1.00 0.00 O ATOM 2264 CB THR A 141 -2.949 -7.357 -10.004 1.00 0.00 C ATOM 2265 OG1 THR A 141 -1.893 -6.497 -10.455 1.00 0.00 O ATOM 2266 CG2 THR A 141 -3.299 -8.347 -11.099 1.00 0.00 C ATOM 0 H THR A 141 -3.295 -5.079 -10.832 1.00 0.00 H new ATOM 0 HA THR A 141 -5.091 -7.060 -9.802 1.00 0.00 H new ATOM 0 HB THR A 141 -2.622 -7.917 -9.127 1.00 0.00 H new ATOM 0 HG1 THR A 141 -1.116 -7.038 -10.707 1.00 0.00 H new ATOM 0 HG21 THR A 141 -2.415 -8.929 -11.360 1.00 0.00 H new ATOM 0 HG22 THR A 141 -4.083 -9.017 -10.747 1.00 0.00 H new ATOM 0 HG23 THR A 141 -3.651 -7.808 -11.978 1.00 0.00 H new ATOM 2274 N VAL A 142 -4.527 -7.213 -7.317 1.00 0.00 N ATOM 2275 CA VAL A 142 -4.371 -7.161 -5.870 1.00 0.00 C ATOM 2276 C VAL A 142 -2.898 -7.348 -5.517 1.00 0.00 C ATOM 2277 O VAL A 142 -2.205 -8.111 -6.185 1.00 0.00 O ATOM 2278 CB VAL A 142 -5.245 -8.245 -5.184 1.00 0.00 C ATOM 2279 CG1 VAL A 142 -4.857 -8.461 -3.725 1.00 0.00 C ATOM 2280 CG2 VAL A 142 -6.711 -7.863 -5.278 1.00 0.00 C ATOM 0 H VAL A 142 -4.970 -8.066 -7.659 1.00 0.00 H new ATOM 0 HA VAL A 142 -4.706 -6.189 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 142 -5.073 -9.184 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -5.496 -9.228 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -3.816 -8.781 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -4.981 -7.529 -3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -7.318 -8.628 -4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -6.870 -6.906 -4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -6.999 -7.780 -6.326 1.00 0.00 H new ATOM 2290 N PRO A 143 -2.387 -6.617 -4.506 1.00 0.00 N ATOM 2291 CA PRO A 143 -0.971 -6.665 -4.115 1.00 0.00 C ATOM 2292 C PRO A 143 -0.420 -8.078 -3.887 1.00 0.00 C ATOM 2293 O PRO A 143 -0.505 -8.624 -2.786 1.00 0.00 O ATOM 2294 CB PRO A 143 -0.934 -5.865 -2.811 1.00 0.00 C ATOM 2295 CG PRO A 143 -2.083 -4.926 -2.912 1.00 0.00 C ATOM 2296 CD PRO A 143 -3.149 -5.657 -3.679 1.00 0.00 C ATOM 0 HA PRO A 143 -0.342 -6.268 -4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -1.031 -6.517 -1.943 1.00 0.00 H new ATOM 0 HB3 PRO A 143 0.008 -5.328 -2.702 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -2.441 -4.639 -1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -1.793 -4.009 -3.424 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -3.845 -6.166 -3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -3.738 -4.977 -4.294 1.00 0.00 H new