USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 588 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 27 CYS SG : rot 100:sc= -6.35! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -127:sc= -0.468 (180deg=-0.852) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 150:sc= -1.37 (180deg=-3.52!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 63 GLN : amide:sc= -3.26! C(o=-3.3!,f=-5.5!) USER MOD Single : A 66 SER OG : rot -170:sc= -0.654 USER MOD Single : A 67 GLN : amide:sc= -0.223 K(o=-0.22,f=-2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 149:sc= 0.203 (180deg=-0.00186) USER MOD Single : A 77 HIS : no HE2:sc= -2.8! C(o=-2.8!,f=-3.3!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.697 X(o=-0.7,f=-0.43) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -152:sc= -0.206 (180deg=-0.44) USER MOD Single : A 91 SER OG : rot 162:sc= 0.428 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 16 -0.629 9.379 0.291 1.00 0.00 N ATOM 168 CA GLY A 16 -0.883 7.977 0.012 1.00 0.00 C ATOM 169 C GLY A 16 0.160 7.065 0.627 1.00 0.00 C ATOM 170 O GLY A 16 0.512 6.037 0.051 1.00 0.00 O ATOM 0 HA2 GLY A 16 -1.868 7.707 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.905 7.823 -1.067 1.00 0.00 H new ATOM 174 N PHE A 17 0.656 7.444 1.801 1.00 0.00 N ATOM 175 CA PHE A 17 1.667 6.653 2.494 1.00 0.00 C ATOM 176 C PHE A 17 1.024 5.512 3.276 1.00 0.00 C ATOM 177 O PHE A 17 -0.069 5.659 3.823 1.00 0.00 O ATOM 178 CB PHE A 17 2.479 7.541 3.439 1.00 0.00 C ATOM 179 CG PHE A 17 3.894 7.764 2.985 1.00 0.00 C ATOM 180 CD1 PHE A 17 4.838 6.755 3.099 1.00 0.00 C ATOM 181 CD2 PHE A 17 4.279 8.980 2.446 1.00 0.00 C ATOM 182 CE1 PHE A 17 6.141 6.958 2.683 1.00 0.00 C ATOM 183 CE2 PHE A 17 5.581 9.187 2.027 1.00 0.00 C ATOM 184 CZ PHE A 17 6.512 8.175 2.145 1.00 0.00 C ATOM 0 H PHE A 17 0.375 8.293 2.292 1.00 0.00 H new ATOM 0 HA PHE A 17 2.334 6.225 1.746 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.981 8.506 3.536 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.491 7.087 4.430 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.553 5.801 3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.555 9.776 2.352 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.868 6.165 2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.869 10.140 1.608 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.529 8.334 1.817 1.00 0.00 H new ATOM 194 N VAL A 18 1.710 4.376 3.325 1.00 0.00 N ATOM 195 CA VAL A 18 1.207 3.209 4.041 1.00 0.00 C ATOM 196 C VAL A 18 2.321 2.522 4.823 1.00 0.00 C ATOM 197 O VAL A 18 3.439 2.372 4.330 1.00 0.00 O ATOM 198 CB VAL A 18 0.568 2.192 3.077 1.00 0.00 C ATOM 199 CG1 VAL A 18 -0.639 2.801 2.380 1.00 0.00 C ATOM 200 CG2 VAL A 18 1.591 1.705 2.062 1.00 0.00 C ATOM 0 H VAL A 18 2.616 4.238 2.877 1.00 0.00 H new ATOM 0 HA VAL A 18 0.447 3.567 4.736 1.00 0.00 H new ATOM 0 HB VAL A 18 0.227 1.334 3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.077 2.067 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.379 3.095 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.327 3.678 1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.122 0.987 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.964 2.552 1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.421 1.226 2.582 1.00 0.00 H new ATOM 210 N ARG A 19 2.007 2.104 6.045 1.00 0.00 N ATOM 211 CA ARG A 19 2.981 1.433 6.896 1.00 0.00 C ATOM 212 C ARG A 19 2.757 -0.077 6.894 1.00 0.00 C ATOM 213 O ARG A 19 1.618 -0.546 6.871 1.00 0.00 O ATOM 214 CB ARG A 19 2.896 1.970 8.327 1.00 0.00 C ATOM 215 CG ARG A 19 3.887 1.321 9.280 1.00 0.00 C ATOM 216 CD ARG A 19 3.617 1.724 10.722 1.00 0.00 C ATOM 217 NE ARG A 19 4.811 1.607 11.555 1.00 0.00 N ATOM 218 CZ ARG A 19 4.961 2.234 12.716 1.00 0.00 C ATOM 219 NH1 ARG A 19 3.997 3.017 13.181 1.00 0.00 N ATOM 220 NH2 ARG A 19 6.077 2.077 13.417 1.00 0.00 N ATOM 0 H ARG A 19 1.086 2.218 6.467 1.00 0.00 H new ATOM 0 HA ARG A 19 3.975 1.636 6.497 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.069 3.046 8.313 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.886 1.814 8.705 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.827 0.237 9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.901 1.609 9.004 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.255 2.752 10.750 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.826 1.096 11.132 1.00 0.00 H new ATOM 0 HE ARG A 19 5.571 1.011 11.227 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.137 3.139 12.647 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.116 3.497 14.073 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.820 1.474 13.064 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.191 2.559 14.309 1.00 0.00 H new ATOM 234 N LEU A 20 3.849 -0.832 6.916 1.00 0.00 N ATOM 235 CA LEU A 20 3.773 -2.288 6.917 1.00 0.00 C ATOM 236 C LEU A 20 4.376 -2.865 8.194 1.00 0.00 C ATOM 237 O LEU A 20 5.346 -2.332 8.729 1.00 0.00 O ATOM 238 CB LEU A 20 4.498 -2.857 5.695 1.00 0.00 C ATOM 239 CG LEU A 20 4.405 -2.027 4.414 1.00 0.00 C ATOM 240 CD1 LEU A 20 5.131 -2.724 3.273 1.00 0.00 C ATOM 241 CD2 LEU A 20 2.951 -1.772 4.047 1.00 0.00 C ATOM 0 H LEU A 20 4.798 -0.460 6.933 1.00 0.00 H new ATOM 0 HA LEU A 20 2.722 -2.572 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.551 -2.982 5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.099 -3.850 5.490 1.00 0.00 H new ATOM 0 HG LEU A 20 4.887 -1.066 4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.054 -2.119 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.181 -2.853 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.678 -3.700 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.905 -1.180 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.443 -2.724 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.461 -1.229 4.856 1.00 0.00 H new ATOM 253 N ARG A 21 3.794 -3.959 8.674 1.00 0.00 N ATOM 254 CA ARG A 21 4.274 -4.610 9.887 1.00 0.00 C ATOM 255 C ARG A 21 4.243 -6.129 9.738 1.00 0.00 C ATOM 256 O ARG A 21 3.216 -6.707 9.387 1.00 0.00 O ATOM 257 CB ARG A 21 3.426 -4.187 11.088 1.00 0.00 C ATOM 258 CG ARG A 21 4.110 -3.172 11.989 1.00 0.00 C ATOM 259 CD ARG A 21 3.249 -2.830 13.196 1.00 0.00 C ATOM 260 NE ARG A 21 4.046 -2.327 14.312 1.00 0.00 N ATOM 261 CZ ARG A 21 3.542 -2.048 15.508 1.00 0.00 C ATOM 262 NH1 ARG A 21 2.249 -2.220 15.742 1.00 0.00 N ATOM 263 NH2 ARG A 21 4.332 -1.593 16.473 1.00 0.00 N ATOM 0 H ARG A 21 2.990 -4.413 8.242 1.00 0.00 H new ATOM 0 HA ARG A 21 5.306 -4.300 10.052 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.487 -3.767 10.729 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.176 -5.071 11.675 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.068 -3.569 12.325 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.322 -2.265 11.423 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.509 -2.082 12.913 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.700 -3.717 13.513 1.00 0.00 H new ATOM 0 HE ARG A 21 5.045 -2.182 14.164 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.639 -2.567 15.002 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.864 -2.005 16.662 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.327 -1.457 16.296 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.944 -1.379 17.392 1.00 0.00 H new ATOM 277 N GLY A 22 5.378 -6.767 10.008 1.00 0.00 N ATOM 278 CA GLY A 22 5.459 -8.212 9.898 1.00 0.00 C ATOM 279 C GLY A 22 6.050 -8.661 8.577 1.00 0.00 C ATOM 280 O GLY A 22 5.634 -9.675 8.014 1.00 0.00 O ATOM 0 H GLY A 22 6.242 -6.310 10.301 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.066 -8.602 10.715 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.462 -8.638 10.010 1.00 0.00 H new ATOM 284 N LEU A 23 7.021 -7.903 8.076 1.00 0.00 N ATOM 285 CA LEU A 23 7.668 -8.228 6.811 1.00 0.00 C ATOM 286 C LEU A 23 8.500 -9.500 6.934 1.00 0.00 C ATOM 287 O LEU A 23 9.111 -9.773 7.967 1.00 0.00 O ATOM 288 CB LEU A 23 8.556 -7.067 6.357 1.00 0.00 C ATOM 289 CG LEU A 23 7.840 -5.744 6.079 1.00 0.00 C ATOM 290 CD1 LEU A 23 8.831 -4.591 6.080 1.00 0.00 C ATOM 291 CD2 LEU A 23 7.096 -5.809 4.753 1.00 0.00 C ATOM 0 H LEU A 23 7.376 -7.060 8.527 1.00 0.00 H new ATOM 0 HA LEU A 23 6.890 -8.396 6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.313 -6.894 7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.082 -7.370 5.451 1.00 0.00 H new ATOM 0 HG LEU A 23 7.113 -5.572 6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.304 -3.658 5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.319 -4.531 7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.582 -4.756 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.592 -4.859 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.804 -6.004 3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.358 -6.610 4.789 1.00 0.00 H new ATOM 303 N PRO A 24 8.526 -10.298 5.856 1.00 0.00 N ATOM 304 CA PRO A 24 9.282 -11.553 5.818 1.00 0.00 C ATOM 305 C PRO A 24 10.789 -11.322 5.806 1.00 0.00 C ATOM 306 O PRO A 24 11.253 -10.191 5.657 1.00 0.00 O ATOM 307 CB PRO A 24 8.829 -12.200 4.507 1.00 0.00 C ATOM 308 CG PRO A 24 8.394 -11.060 3.652 1.00 0.00 C ATOM 309 CD PRO A 24 7.821 -10.035 4.591 1.00 0.00 C ATOM 0 HA PRO A 24 9.096 -12.168 6.699 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.641 -12.758 4.040 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.013 -12.903 4.674 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.234 -10.650 3.091 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.650 -11.381 2.923 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.999 -9.020 4.235 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.743 -10.149 4.701 1.00 0.00 H new ATOM 317 N PHE A 25 11.550 -12.401 5.963 1.00 0.00 N ATOM 318 CA PHE A 25 13.006 -12.315 5.971 1.00 0.00 C ATOM 319 C PHE A 25 13.534 -11.906 4.599 1.00 0.00 C ATOM 320 O PHE A 25 13.273 -12.571 3.598 1.00 0.00 O ATOM 321 CB PHE A 25 13.614 -13.657 6.384 1.00 0.00 C ATOM 322 CG PHE A 25 13.539 -13.919 7.862 1.00 0.00 C ATOM 323 CD1 PHE A 25 14.216 -13.109 8.759 1.00 0.00 C ATOM 324 CD2 PHE A 25 12.791 -14.978 8.354 1.00 0.00 C ATOM 325 CE1 PHE A 25 14.149 -13.347 10.118 1.00 0.00 C ATOM 326 CE2 PHE A 25 12.720 -15.221 9.713 1.00 0.00 C ATOM 327 CZ PHE A 25 13.401 -14.405 10.596 1.00 0.00 C ATOM 0 H PHE A 25 11.183 -13.344 6.086 1.00 0.00 H new ATOM 0 HA PHE A 25 13.297 -11.553 6.695 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.099 -14.459 5.854 1.00 0.00 H new ATOM 0 HB3 PHE A 25 14.657 -13.686 6.070 1.00 0.00 H new ATOM 0 HD1 PHE A 25 14.804 -12.281 8.391 1.00 0.00 H new ATOM 0 HD2 PHE A 25 12.258 -15.620 7.668 1.00 0.00 H new ATOM 0 HE1 PHE A 25 14.681 -12.707 10.806 1.00 0.00 H new ATOM 0 HE2 PHE A 25 12.133 -16.048 10.084 1.00 0.00 H new ATOM 0 HZ PHE A 25 13.348 -14.594 11.658 1.00 0.00 H new ATOM 337 N GLY A 26 14.277 -10.805 4.563 1.00 0.00 N ATOM 338 CA GLY A 26 14.830 -10.324 3.309 1.00 0.00 C ATOM 339 C GLY A 26 13.827 -9.522 2.503 1.00 0.00 C ATOM 340 O GLY A 26 14.000 -9.331 1.299 1.00 0.00 O ATOM 0 H GLY A 26 14.506 -10.237 5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.704 -9.706 3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.172 -11.173 2.717 1.00 0.00 H new ATOM 344 N CYS A 27 12.776 -9.053 3.168 1.00 0.00 N ATOM 345 CA CYS A 27 11.740 -8.270 2.503 1.00 0.00 C ATOM 346 C CYS A 27 12.310 -6.961 1.966 1.00 0.00 C ATOM 347 O CYS A 27 12.873 -6.164 2.715 1.00 0.00 O ATOM 348 CB CYS A 27 10.592 -7.982 3.471 1.00 0.00 C ATOM 349 SG CYS A 27 9.245 -7.013 2.751 1.00 0.00 S ATOM 0 H CYS A 27 12.619 -9.201 4.165 1.00 0.00 H new ATOM 0 HA CYS A 27 11.360 -8.851 1.663 1.00 0.00 H new ATOM 0 HB2 CYS A 27 10.191 -8.928 3.834 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.986 -7.450 4.337 1.00 0.00 H new ATOM 0 HG CYS A 27 8.271 -7.806 2.415 1.00 0.00 H new ATOM 355 N SER A 28 12.158 -6.748 0.663 1.00 0.00 N ATOM 356 CA SER A 28 12.663 -5.538 0.022 1.00 0.00 C ATOM 357 C SER A 28 11.686 -5.037 -1.037 1.00 0.00 C ATOM 358 O SER A 28 10.726 -5.723 -1.387 1.00 0.00 O ATOM 359 CB SER A 28 14.029 -5.804 -0.613 1.00 0.00 C ATOM 360 OG SER A 28 14.982 -6.181 0.366 1.00 0.00 O ATOM 0 H SER A 28 11.690 -7.397 0.030 1.00 0.00 H new ATOM 0 HA SER A 28 12.770 -4.768 0.787 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.939 -6.593 -1.360 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.372 -4.910 -1.133 1.00 0.00 H new ATOM 0 HG SER A 28 15.846 -6.347 -0.065 1.00 0.00 H new ATOM 366 N LYS A 29 11.936 -3.834 -1.541 1.00 0.00 N ATOM 367 CA LYS A 29 11.081 -3.238 -2.561 1.00 0.00 C ATOM 368 C LYS A 29 10.774 -4.241 -3.668 1.00 0.00 C ATOM 369 O LYS A 29 9.617 -4.436 -4.037 1.00 0.00 O ATOM 370 CB LYS A 29 11.751 -1.997 -3.155 1.00 0.00 C ATOM 371 CG LYS A 29 12.034 -0.909 -2.133 1.00 0.00 C ATOM 372 CD LYS A 29 13.338 -0.189 -2.432 1.00 0.00 C ATOM 373 CE LYS A 29 14.136 0.069 -1.163 1.00 0.00 C ATOM 374 NZ LYS A 29 14.511 -1.197 -0.477 1.00 0.00 N ATOM 0 H LYS A 29 12.725 -3.252 -1.260 1.00 0.00 H new ATOM 0 HA LYS A 29 10.143 -2.947 -2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.688 -2.292 -3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.112 -1.590 -3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.214 -0.191 -2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.080 -1.348 -1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.934 -0.785 -3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.126 0.758 -2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.038 0.630 -1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.550 0.689 -0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.207 -1.156 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.046 -1.999 -0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.543 -1.322 -0.519 1.00 0.00 H new ATOM 388 N GLU A 30 11.818 -4.877 -4.191 1.00 0.00 N ATOM 389 CA GLU A 30 11.657 -5.861 -5.255 1.00 0.00 C ATOM 390 C GLU A 30 10.426 -6.729 -5.012 1.00 0.00 C ATOM 391 O GLU A 30 9.678 -7.038 -5.940 1.00 0.00 O ATOM 392 CB GLU A 30 12.904 -6.744 -5.357 1.00 0.00 C ATOM 393 CG GLU A 30 13.648 -6.596 -6.673 1.00 0.00 C ATOM 394 CD GLU A 30 13.641 -7.871 -7.493 1.00 0.00 C ATOM 395 OE1 GLU A 30 12.539 -8.366 -7.811 1.00 0.00 O ATOM 396 OE2 GLU A 30 14.737 -8.373 -7.818 1.00 0.00 O ATOM 0 H GLU A 30 12.783 -4.729 -3.896 1.00 0.00 H new ATOM 0 HA GLU A 30 11.522 -5.324 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.580 -6.500 -4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.612 -7.786 -5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.195 -5.792 -7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.679 -6.303 -6.473 1.00 0.00 H new ATOM 403 N GLU A 31 10.221 -7.119 -3.758 1.00 0.00 N ATOM 404 CA GLU A 31 9.082 -7.951 -3.393 1.00 0.00 C ATOM 405 C GLU A 31 7.830 -7.102 -3.191 1.00 0.00 C ATOM 406 O GLU A 31 6.730 -7.494 -3.584 1.00 0.00 O ATOM 407 CB GLU A 31 9.386 -8.743 -2.119 1.00 0.00 C ATOM 408 CG GLU A 31 10.231 -9.983 -2.361 1.00 0.00 C ATOM 409 CD GLU A 31 10.558 -10.724 -1.078 1.00 0.00 C ATOM 410 OE1 GLU A 31 11.489 -10.293 -0.365 1.00 0.00 O ATOM 411 OE2 GLU A 31 9.883 -11.733 -0.789 1.00 0.00 O ATOM 0 H GLU A 31 10.830 -6.872 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 31 8.899 -8.649 -4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.903 -8.094 -1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.447 -9.039 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.701 -10.653 -3.038 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.158 -9.696 -2.857 1.00 0.00 H new ATOM 418 N ILE A 32 8.005 -5.939 -2.574 1.00 0.00 N ATOM 419 CA ILE A 32 6.891 -5.033 -2.320 1.00 0.00 C ATOM 420 C ILE A 32 6.235 -4.590 -3.623 1.00 0.00 C ATOM 421 O ILE A 32 5.059 -4.862 -3.863 1.00 0.00 O ATOM 422 CB ILE A 32 7.345 -3.788 -1.536 1.00 0.00 C ATOM 423 CG1 ILE A 32 7.988 -4.200 -0.210 1.00 0.00 C ATOM 424 CG2 ILE A 32 6.167 -2.857 -1.293 1.00 0.00 C ATOM 425 CD1 ILE A 32 8.635 -3.049 0.530 1.00 0.00 C ATOM 0 H ILE A 32 8.908 -5.601 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 32 6.166 -5.584 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 32 8.088 -3.255 -2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.228 -4.651 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.739 -4.966 -0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.504 -1.982 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.749 -2.542 -2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.403 -3.380 -0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.070 -3.413 1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.418 -2.612 -0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.884 -2.292 0.753 1.00 0.00 H new ATOM 437 N VAL A 33 7.004 -3.905 -4.463 1.00 0.00 N ATOM 438 CA VAL A 33 6.499 -3.424 -5.744 1.00 0.00 C ATOM 439 C VAL A 33 5.493 -4.404 -6.339 1.00 0.00 C ATOM 440 O VAL A 33 4.420 -4.005 -6.794 1.00 0.00 O ATOM 441 CB VAL A 33 7.642 -3.205 -6.751 1.00 0.00 C ATOM 442 CG1 VAL A 33 7.088 -2.992 -8.151 1.00 0.00 C ATOM 443 CG2 VAL A 33 8.507 -2.027 -6.327 1.00 0.00 C ATOM 0 H VAL A 33 7.980 -3.670 -4.280 1.00 0.00 H new ATOM 0 HA VAL A 33 6.006 -2.471 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 33 8.266 -4.099 -6.765 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.911 -2.839 -8.849 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.515 -3.869 -8.453 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.440 -2.115 -8.156 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.310 -1.886 -7.050 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.897 -1.125 -6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.934 -2.225 -5.344 1.00 0.00 H new ATOM 453 N GLN A 34 5.846 -5.684 -6.332 1.00 0.00 N ATOM 454 CA GLN A 34 4.973 -6.720 -6.872 1.00 0.00 C ATOM 455 C GLN A 34 3.816 -7.006 -5.921 1.00 0.00 C ATOM 456 O GLN A 34 2.667 -7.139 -6.347 1.00 0.00 O ATOM 457 CB GLN A 34 5.767 -8.002 -7.128 1.00 0.00 C ATOM 458 CG GLN A 34 6.180 -8.182 -8.579 1.00 0.00 C ATOM 459 CD GLN A 34 7.138 -9.341 -8.774 1.00 0.00 C ATOM 460 OE1 GLN A 34 6.877 -10.458 -8.328 1.00 0.00 O ATOM 461 NE2 GLN A 34 8.253 -9.082 -9.445 1.00 0.00 N ATOM 0 H GLN A 34 6.730 -6.030 -5.959 1.00 0.00 H new ATOM 0 HA GLN A 34 4.563 -6.360 -7.816 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.660 -7.997 -6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.167 -8.859 -6.821 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.291 -8.344 -9.188 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.648 -7.265 -8.936 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.429 -8.141 -9.797 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.934 -9.824 -9.609 1.00 0.00 H new ATOM 470 N PHE A 35 4.124 -7.099 -4.632 1.00 0.00 N ATOM 471 CA PHE A 35 3.109 -7.372 -3.621 1.00 0.00 C ATOM 472 C PHE A 35 1.903 -6.454 -3.801 1.00 0.00 C ATOM 473 O PHE A 35 0.777 -6.815 -3.457 1.00 0.00 O ATOM 474 CB PHE A 35 3.694 -7.193 -2.218 1.00 0.00 C ATOM 475 CG PHE A 35 2.653 -7.004 -1.154 1.00 0.00 C ATOM 476 CD1 PHE A 35 1.980 -8.092 -0.622 1.00 0.00 C ATOM 477 CD2 PHE A 35 2.345 -5.737 -0.684 1.00 0.00 C ATOM 478 CE1 PHE A 35 1.022 -7.922 0.359 1.00 0.00 C ATOM 479 CE2 PHE A 35 1.388 -5.560 0.297 1.00 0.00 C ATOM 480 CZ PHE A 35 0.724 -6.654 0.818 1.00 0.00 C ATOM 0 H PHE A 35 5.068 -6.989 -4.263 1.00 0.00 H new ATOM 0 HA PHE A 35 2.781 -8.404 -3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.299 -8.065 -1.972 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.362 -6.331 -2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.207 -9.086 -0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.859 -4.878 -1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.507 -8.779 0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.159 -4.567 0.656 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.026 -6.518 1.583 1.00 0.00 H new ATOM 490 N PHE A 36 2.147 -5.265 -4.342 1.00 0.00 N ATOM 491 CA PHE A 36 1.082 -4.295 -4.567 1.00 0.00 C ATOM 492 C PHE A 36 0.667 -4.271 -6.035 1.00 0.00 C ATOM 493 O PHE A 36 0.295 -3.227 -6.570 1.00 0.00 O ATOM 494 CB PHE A 36 1.534 -2.899 -4.131 1.00 0.00 C ATOM 495 CG PHE A 36 1.471 -2.686 -2.646 1.00 0.00 C ATOM 496 CD1 PHE A 36 0.281 -2.860 -1.957 1.00 0.00 C ATOM 497 CD2 PHE A 36 2.602 -2.312 -1.938 1.00 0.00 C ATOM 498 CE1 PHE A 36 0.221 -2.664 -0.590 1.00 0.00 C ATOM 499 CE2 PHE A 36 2.547 -2.115 -0.570 1.00 0.00 C ATOM 500 CZ PHE A 36 1.356 -2.292 0.104 1.00 0.00 C ATOM 0 H PHE A 36 3.073 -4.950 -4.633 1.00 0.00 H new ATOM 0 HA PHE A 36 0.221 -4.595 -3.970 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.557 -2.734 -4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.910 -2.153 -4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.609 -3.152 -2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.537 -2.173 -2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.713 -2.802 -0.065 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.435 -1.823 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.311 -2.140 1.172 1.00 0.00 H new ATOM 510 N SER A 37 0.737 -5.431 -6.682 1.00 0.00 N ATOM 511 CA SER A 37 0.375 -5.544 -8.090 1.00 0.00 C ATOM 512 C SER A 37 -0.943 -4.828 -8.371 1.00 0.00 C ATOM 513 O SER A 37 -1.824 -4.765 -7.514 1.00 0.00 O ATOM 514 CB SER A 37 0.264 -7.015 -8.493 1.00 0.00 C ATOM 515 OG SER A 37 0.352 -7.167 -9.900 1.00 0.00 O ATOM 0 H SER A 37 1.041 -6.305 -6.253 1.00 0.00 H new ATOM 0 HA SER A 37 1.159 -5.071 -8.680 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.057 -7.588 -8.012 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.683 -7.422 -8.139 1.00 0.00 H new ATOM 0 HG SER A 37 0.280 -8.117 -10.132 1.00 0.00 H new ATOM 521 N GLY A 38 -1.071 -4.288 -9.579 1.00 0.00 N ATOM 522 CA GLY A 38 -2.283 -3.583 -9.953 1.00 0.00 C ATOM 523 C GLY A 38 -2.276 -2.138 -9.497 1.00 0.00 C ATOM 524 O GLY A 38 -2.947 -1.289 -10.088 1.00 0.00 O ATOM 0 H GLY A 38 -0.356 -4.326 -10.306 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.401 -3.619 -11.036 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.144 -4.093 -9.522 1.00 0.00 H new ATOM 528 N LEU A 39 -1.519 -1.855 -8.444 1.00 0.00 N ATOM 529 CA LEU A 39 -1.429 -0.501 -7.908 1.00 0.00 C ATOM 530 C LEU A 39 -0.207 0.225 -8.463 1.00 0.00 C ATOM 531 O LEU A 39 0.769 -0.405 -8.868 1.00 0.00 O ATOM 532 CB LEU A 39 -1.363 -0.540 -6.380 1.00 0.00 C ATOM 533 CG LEU A 39 -2.498 -1.285 -5.678 1.00 0.00 C ATOM 534 CD1 LEU A 39 -2.004 -1.913 -4.384 1.00 0.00 C ATOM 535 CD2 LEU A 39 -3.664 -0.346 -5.405 1.00 0.00 C ATOM 0 H LEU A 39 -0.958 -2.545 -7.944 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.322 0.044 -8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.419 -1.000 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.345 0.485 -6.011 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.845 -2.082 -6.336 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.826 -2.439 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.202 -2.617 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.630 -1.133 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.463 -0.894 -4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.330 0.472 -4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.035 0.057 -6.347 1.00 0.00 H new ATOM 547 N GLU A 40 -0.269 1.552 -8.476 1.00 0.00 N ATOM 548 CA GLU A 40 0.833 2.363 -8.980 1.00 0.00 C ATOM 549 C GLU A 40 1.509 3.128 -7.846 1.00 0.00 C ATOM 550 O GLU A 40 0.873 3.924 -7.155 1.00 0.00 O ATOM 551 CB GLU A 40 0.331 3.343 -10.042 1.00 0.00 C ATOM 552 CG GLU A 40 1.296 4.481 -10.325 1.00 0.00 C ATOM 553 CD GLU A 40 0.869 5.327 -11.510 1.00 0.00 C ATOM 554 OE1 GLU A 40 0.259 4.772 -12.447 1.00 0.00 O ATOM 555 OE2 GLU A 40 1.147 6.544 -11.499 1.00 0.00 O ATOM 0 H GLU A 40 -1.070 2.089 -8.143 1.00 0.00 H new ATOM 0 HA GLU A 40 1.565 1.694 -9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.144 2.798 -10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.623 3.759 -9.718 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.375 5.114 -9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.289 4.072 -10.514 1.00 0.00 H new ATOM 562 N ILE A 41 2.801 2.881 -7.660 1.00 0.00 N ATOM 563 CA ILE A 41 3.564 3.546 -6.612 1.00 0.00 C ATOM 564 C ILE A 41 4.623 4.468 -7.203 1.00 0.00 C ATOM 565 O ILE A 41 5.128 4.229 -8.300 1.00 0.00 O ATOM 566 CB ILE A 41 4.246 2.528 -5.680 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.257 1.435 -5.269 1.00 0.00 C ATOM 568 CG2 ILE A 41 4.811 3.228 -4.452 1.00 0.00 C ATOM 569 CD1 ILE A 41 3.922 0.136 -4.871 1.00 0.00 C ATOM 0 H ILE A 41 3.342 2.224 -8.223 1.00 0.00 H new ATOM 0 HA ILE A 41 2.855 4.137 -6.033 1.00 0.00 H new ATOM 0 HB ILE A 41 5.070 2.061 -6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.655 1.796 -4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.573 1.245 -6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.290 2.495 -3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.545 3.972 -4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.003 3.720 -3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.160 -0.592 -4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.501 -0.248 -5.711 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.584 0.311 -4.023 1.00 0.00 H new ATOM 581 N VAL A 42 4.959 5.524 -6.468 1.00 0.00 N ATOM 582 CA VAL A 42 5.962 6.482 -6.918 1.00 0.00 C ATOM 583 C VAL A 42 7.366 5.896 -6.815 1.00 0.00 C ATOM 584 O VAL A 42 7.641 5.018 -5.997 1.00 0.00 O ATOM 585 CB VAL A 42 5.901 7.785 -6.100 1.00 0.00 C ATOM 586 CG1 VAL A 42 4.620 8.547 -6.404 1.00 0.00 C ATOM 587 CG2 VAL A 42 6.012 7.486 -4.612 1.00 0.00 C ATOM 0 H VAL A 42 4.551 5.737 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 42 5.740 6.706 -7.961 1.00 0.00 H new ATOM 0 HB VAL A 42 6.746 8.412 -6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.595 9.465 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.587 8.794 -7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.759 7.929 -6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.967 8.418 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.189 6.839 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.960 6.986 -4.411 1.00 0.00 H new ATOM 597 N PRO A 43 8.278 6.393 -7.664 1.00 0.00 N ATOM 598 CA PRO A 43 9.670 5.934 -7.688 1.00 0.00 C ATOM 599 C PRO A 43 10.444 6.368 -6.448 1.00 0.00 C ATOM 600 O PRO A 43 10.403 7.532 -6.055 1.00 0.00 O ATOM 601 CB PRO A 43 10.243 6.605 -8.939 1.00 0.00 C ATOM 602 CG PRO A 43 9.397 7.815 -9.141 1.00 0.00 C ATOM 603 CD PRO A 43 8.020 7.441 -8.665 1.00 0.00 C ATOM 0 HA PRO A 43 9.741 4.846 -7.701 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.290 6.873 -8.800 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.196 5.940 -9.802 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.788 8.663 -8.578 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.381 8.109 -10.190 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.500 8.294 -8.229 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.399 7.073 -9.481 1.00 0.00 H new ATOM 611 N ASN A 44 11.151 5.423 -5.838 1.00 0.00 N ATOM 612 CA ASN A 44 11.936 5.708 -4.642 1.00 0.00 C ATOM 613 C ASN A 44 11.040 6.195 -3.507 1.00 0.00 C ATOM 614 O ASN A 44 11.480 6.940 -2.632 1.00 0.00 O ATOM 615 CB ASN A 44 13.007 6.757 -4.948 1.00 0.00 C ATOM 616 CG ASN A 44 14.114 6.212 -5.830 1.00 0.00 C ATOM 617 OD1 ASN A 44 15.029 5.539 -5.355 1.00 0.00 O ATOM 618 ND2 ASN A 44 14.036 6.503 -7.124 1.00 0.00 N ATOM 0 H ASN A 44 11.197 4.453 -6.152 1.00 0.00 H new ATOM 0 HA ASN A 44 12.421 4.784 -4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.544 7.613 -5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.435 7.118 -4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.752 6.165 -7.767 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.260 7.064 -7.475 1.00 0.00 H new ATOM 625 N GLY A 45 9.782 5.768 -3.529 1.00 0.00 N ATOM 626 CA GLY A 45 8.844 6.171 -2.497 1.00 0.00 C ATOM 627 C GLY A 45 8.635 5.094 -1.451 1.00 0.00 C ATOM 628 O GLY A 45 7.547 4.966 -0.890 1.00 0.00 O ATOM 0 H GLY A 45 9.395 5.150 -4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.208 7.077 -2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.887 6.418 -2.956 1.00 0.00 H new ATOM 632 N MET A 46 9.680 4.315 -1.190 1.00 0.00 N ATOM 633 CA MET A 46 9.606 3.243 -0.205 1.00 0.00 C ATOM 634 C MET A 46 10.734 3.361 0.814 1.00 0.00 C ATOM 635 O MET A 46 11.870 3.683 0.465 1.00 0.00 O ATOM 636 CB MET A 46 9.668 1.879 -0.896 1.00 0.00 C ATOM 637 CG MET A 46 8.579 1.675 -1.936 1.00 0.00 C ATOM 638 SD MET A 46 9.240 1.321 -3.576 1.00 0.00 S ATOM 639 CE MET A 46 7.815 0.575 -4.363 1.00 0.00 C ATOM 0 H MET A 46 10.587 4.406 -1.647 1.00 0.00 H new ATOM 0 HA MET A 46 8.655 3.333 0.320 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.641 1.767 -1.374 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.591 1.095 -0.142 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.934 0.854 -1.624 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.957 2.569 -1.985 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.841 0.780 -5.433 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.832 -0.503 -4.200 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.903 0.993 -3.936 1.00 0.00 H new ATOM 649 N THR A 47 10.415 3.099 2.079 1.00 0.00 N ATOM 650 CA THR A 47 11.402 3.177 3.148 1.00 0.00 C ATOM 651 C THR A 47 11.439 1.887 3.958 1.00 0.00 C ATOM 652 O THR A 47 10.403 1.387 4.398 1.00 0.00 O ATOM 653 CB THR A 47 11.109 4.356 4.096 1.00 0.00 C ATOM 654 OG1 THR A 47 11.302 5.597 3.409 1.00 0.00 O ATOM 655 CG2 THR A 47 12.013 4.303 5.319 1.00 0.00 C ATOM 0 H THR A 47 9.480 2.831 2.387 1.00 0.00 H new ATOM 0 HA THR A 47 12.371 3.332 2.673 1.00 0.00 H new ATOM 0 HB THR A 47 10.072 4.280 4.425 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.112 6.341 4.018 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.789 5.145 5.974 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.844 3.370 5.856 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.055 4.356 5.004 1.00 0.00 H new ATOM 663 N LEU A 48 12.639 1.350 4.151 1.00 0.00 N ATOM 664 CA LEU A 48 12.813 0.116 4.910 1.00 0.00 C ATOM 665 C LEU A 48 13.899 0.274 5.967 1.00 0.00 C ATOM 666 O LEU A 48 15.087 0.087 5.705 1.00 0.00 O ATOM 667 CB LEU A 48 13.165 -1.038 3.970 1.00 0.00 C ATOM 668 CG LEU A 48 11.992 -1.895 3.490 1.00 0.00 C ATOM 669 CD1 LEU A 48 11.891 -1.862 1.974 1.00 0.00 C ATOM 670 CD2 LEU A 48 12.141 -3.327 3.985 1.00 0.00 C ATOM 0 H LEU A 48 13.506 1.750 3.792 1.00 0.00 H new ATOM 0 HA LEU A 48 11.872 -0.107 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.670 -0.627 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.880 -1.687 4.476 1.00 0.00 H new ATOM 0 HG LEU A 48 11.072 -1.482 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.051 -2.477 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.737 -0.835 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.812 -2.250 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.298 -3.923 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.069 -3.750 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.163 -3.335 5.075 1.00 0.00 H new ATOM 682 N PRO A 49 13.485 0.627 7.194 1.00 0.00 N ATOM 683 CA PRO A 49 14.407 0.816 8.317 1.00 0.00 C ATOM 684 C PRO A 49 15.017 -0.497 8.794 1.00 0.00 C ATOM 685 O PRO A 49 14.652 -1.572 8.317 1.00 0.00 O ATOM 686 CB PRO A 49 13.519 1.420 9.408 1.00 0.00 C ATOM 687 CG PRO A 49 12.144 0.953 9.078 1.00 0.00 C ATOM 688 CD PRO A 49 12.084 0.868 7.578 1.00 0.00 C ATOM 0 HA PRO A 49 15.257 1.442 8.045 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.824 1.083 10.399 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.578 2.508 9.409 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.942 -0.017 9.532 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.394 1.646 9.460 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.432 0.060 7.247 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.699 1.788 7.138 1.00 0.00 H new ATOM 696 N VAL A 50 15.947 -0.404 9.739 1.00 0.00 N ATOM 697 CA VAL A 50 16.607 -1.587 10.282 1.00 0.00 C ATOM 698 C VAL A 50 16.861 -1.436 11.777 1.00 0.00 C ATOM 699 O VAL A 50 16.453 -0.450 12.390 1.00 0.00 O ATOM 700 CB VAL A 50 17.945 -1.860 9.570 1.00 0.00 C ATOM 701 CG1 VAL A 50 17.707 -2.263 8.122 1.00 0.00 C ATOM 702 CG2 VAL A 50 18.849 -0.640 9.650 1.00 0.00 C ATOM 0 H VAL A 50 16.261 0.478 10.145 1.00 0.00 H new ATOM 0 HA VAL A 50 15.936 -2.429 10.113 1.00 0.00 H new ATOM 0 HB VAL A 50 18.443 -2.687 10.075 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.664 -2.452 7.635 1.00 0.00 H new ATOM 0 HG12 VAL A 50 17.099 -3.167 8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.187 -1.459 7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 50 19.790 -0.851 9.142 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.359 0.208 9.171 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.046 -0.401 10.695 1.00 0.00 H new ATOM 803 N THR A 57 13.451 -4.043 10.518 1.00 0.00 N ATOM 804 CA THR A 57 12.600 -4.160 11.695 1.00 0.00 C ATOM 805 C THR A 57 11.215 -4.679 11.325 1.00 0.00 C ATOM 806 O THR A 57 10.222 -4.339 11.964 1.00 0.00 O ATOM 807 CB THR A 57 12.451 -2.807 12.418 1.00 0.00 C ATOM 808 OG1 THR A 57 11.513 -1.979 11.721 1.00 0.00 O ATOM 809 CG2 THR A 57 13.792 -2.094 12.513 1.00 0.00 C ATOM 0 HA THR A 57 13.085 -4.871 12.364 1.00 0.00 H new ATOM 0 HB THR A 57 12.086 -2.998 13.427 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.423 -1.122 12.188 1.00 0.00 H new ATOM 0 HG21 THR A 57 13.662 -1.142 13.027 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.495 -2.714 13.070 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.181 -1.915 11.511 1.00 0.00 H new ATOM 817 N GLY A 58 11.158 -5.508 10.287 1.00 0.00 N ATOM 818 CA GLY A 58 9.890 -6.063 9.848 1.00 0.00 C ATOM 819 C GLY A 58 8.866 -4.990 9.537 1.00 0.00 C ATOM 820 O GLY A 58 7.666 -5.263 9.495 1.00 0.00 O ATOM 0 H GLY A 58 11.967 -5.805 9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.052 -6.675 8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.498 -6.722 10.622 1.00 0.00 H new ATOM 824 N GLU A 59 9.338 -3.766 9.321 1.00 0.00 N ATOM 825 CA GLU A 59 8.453 -2.649 9.015 1.00 0.00 C ATOM 826 C GLU A 59 8.892 -1.942 7.736 1.00 0.00 C ATOM 827 O GLU A 59 10.016 -2.121 7.270 1.00 0.00 O ATOM 828 CB GLU A 59 8.430 -1.655 10.178 1.00 0.00 C ATOM 829 CG GLU A 59 7.659 -2.153 11.389 1.00 0.00 C ATOM 830 CD GLU A 59 8.050 -1.433 12.665 1.00 0.00 C ATOM 831 OE1 GLU A 59 8.332 -0.219 12.600 1.00 0.00 O ATOM 832 OE2 GLU A 59 8.073 -2.085 13.730 1.00 0.00 O ATOM 0 H GLU A 59 10.328 -3.523 9.352 1.00 0.00 H new ATOM 0 HA GLU A 59 7.449 -3.045 8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.455 -1.434 10.476 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.988 -0.719 9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.591 -2.022 11.215 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.833 -3.222 11.511 1.00 0.00 H new ATOM 839 N ALA A 60 7.994 -1.139 7.173 1.00 0.00 N ATOM 840 CA ALA A 60 8.288 -0.404 5.949 1.00 0.00 C ATOM 841 C ALA A 60 7.230 0.660 5.681 1.00 0.00 C ATOM 842 O ALA A 60 6.127 0.605 6.225 1.00 0.00 O ATOM 843 CB ALA A 60 8.389 -1.360 4.770 1.00 0.00 C ATOM 0 H ALA A 60 7.058 -0.981 7.545 1.00 0.00 H new ATOM 0 HA ALA A 60 9.247 0.098 6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.609 -0.797 3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.187 -2.080 4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.444 -1.889 4.649 1.00 0.00 H new ATOM 849 N PHE A 61 7.573 1.630 4.839 1.00 0.00 N ATOM 850 CA PHE A 61 6.652 2.710 4.500 1.00 0.00 C ATOM 851 C PHE A 61 6.629 2.950 2.994 1.00 0.00 C ATOM 852 O PHE A 61 7.624 3.370 2.405 1.00 0.00 O ATOM 853 CB PHE A 61 7.052 3.996 5.227 1.00 0.00 C ATOM 854 CG PHE A 61 6.783 3.958 6.704 1.00 0.00 C ATOM 855 CD1 PHE A 61 5.559 4.367 7.210 1.00 0.00 C ATOM 856 CD2 PHE A 61 7.753 3.512 7.587 1.00 0.00 C ATOM 857 CE1 PHE A 61 5.310 4.334 8.569 1.00 0.00 C ATOM 858 CE2 PHE A 61 7.510 3.476 8.947 1.00 0.00 C ATOM 859 CZ PHE A 61 6.286 3.887 9.438 1.00 0.00 C ATOM 0 H PHE A 61 8.481 1.690 4.379 1.00 0.00 H new ATOM 0 HA PHE A 61 5.652 2.416 4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.114 4.181 5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.511 4.835 4.789 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.791 4.715 6.535 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.711 3.188 7.208 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.353 4.657 8.951 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.275 3.127 9.624 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.092 3.859 10.500 1.00 0.00 H new ATOM 869 N VAL A 62 5.482 2.680 2.376 1.00 0.00 N ATOM 870 CA VAL A 62 5.326 2.867 0.939 1.00 0.00 C ATOM 871 C VAL A 62 4.489 4.103 0.634 1.00 0.00 C ATOM 872 O VAL A 62 3.542 4.418 1.355 1.00 0.00 O ATOM 873 CB VAL A 62 4.668 1.640 0.281 1.00 0.00 C ATOM 874 CG1 VAL A 62 4.550 1.838 -1.223 1.00 0.00 C ATOM 875 CG2 VAL A 62 5.456 0.377 0.600 1.00 0.00 C ATOM 0 H VAL A 62 4.648 2.331 2.849 1.00 0.00 H new ATOM 0 HA VAL A 62 6.326 2.998 0.527 1.00 0.00 H new ATOM 0 HB VAL A 62 3.663 1.527 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.083 0.961 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.940 2.718 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.543 1.978 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.977 -0.480 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.474 0.478 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.483 0.228 1.679 1.00 0.00 H new ATOM 885 N GLN A 63 4.844 4.801 -0.442 1.00 0.00 N ATOM 886 CA GLN A 63 4.124 6.004 -0.843 1.00 0.00 C ATOM 887 C GLN A 63 3.439 5.806 -2.191 1.00 0.00 C ATOM 888 O GLN A 63 4.090 5.815 -3.236 1.00 0.00 O ATOM 889 CB GLN A 63 5.080 7.196 -0.913 1.00 0.00 C ATOM 890 CG GLN A 63 4.373 8.538 -1.015 1.00 0.00 C ATOM 891 CD GLN A 63 5.333 9.710 -0.947 1.00 0.00 C ATOM 892 OE1 GLN A 63 6.480 9.563 -0.524 1.00 0.00 O ATOM 893 NE2 GLN A 63 4.868 10.881 -1.364 1.00 0.00 N ATOM 0 H GLN A 63 5.625 4.554 -1.050 1.00 0.00 H new ATOM 0 HA GLN A 63 3.358 6.205 -0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.714 7.195 -0.026 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.737 7.074 -1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.818 8.582 -1.952 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.644 8.623 -0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.910 10.957 -1.707 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.468 11.705 -1.342 1.00 0.00 H new ATOM 902 N PHE A 64 2.124 5.625 -2.160 1.00 0.00 N ATOM 903 CA PHE A 64 1.350 5.422 -3.380 1.00 0.00 C ATOM 904 C PHE A 64 1.228 6.722 -4.169 1.00 0.00 C ATOM 905 O PHE A 64 1.385 7.812 -3.618 1.00 0.00 O ATOM 906 CB PHE A 64 -0.041 4.884 -3.044 1.00 0.00 C ATOM 907 CG PHE A 64 -0.062 3.408 -2.764 1.00 0.00 C ATOM 908 CD1 PHE A 64 -0.002 2.491 -3.800 1.00 0.00 C ATOM 909 CD2 PHE A 64 -0.139 2.938 -1.462 1.00 0.00 C ATOM 910 CE1 PHE A 64 -0.021 1.133 -3.544 1.00 0.00 C ATOM 911 CE2 PHE A 64 -0.158 1.580 -1.200 1.00 0.00 C ATOM 912 CZ PHE A 64 -0.097 0.677 -2.243 1.00 0.00 C ATOM 0 H PHE A 64 1.571 5.615 -1.303 1.00 0.00 H new ATOM 0 HA PHE A 64 1.875 4.691 -3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.427 5.416 -2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.715 5.098 -3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.060 2.841 -4.820 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.185 3.640 -0.643 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.024 0.429 -4.361 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.220 1.226 -0.181 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.109 -0.384 -2.041 1.00 0.00 H new ATOM 922 N ALA A 65 0.948 6.599 -5.461 1.00 0.00 N ATOM 923 CA ALA A 65 0.802 7.764 -6.327 1.00 0.00 C ATOM 924 C ALA A 65 -0.163 8.778 -5.724 1.00 0.00 C ATOM 925 O ALA A 65 0.028 9.987 -5.855 1.00 0.00 O ATOM 926 CB ALA A 65 0.331 7.339 -7.709 1.00 0.00 C ATOM 0 H ALA A 65 0.817 5.704 -5.933 1.00 0.00 H new ATOM 0 HA ALA A 65 1.777 8.242 -6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.226 8.219 -8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.060 6.658 -8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.632 6.835 -7.626 1.00 0.00 H new ATOM 932 N SER A 66 -1.203 8.278 -5.063 1.00 0.00 N ATOM 933 CA SER A 66 -2.202 9.141 -4.444 1.00 0.00 C ATOM 934 C SER A 66 -3.011 8.375 -3.401 1.00 0.00 C ATOM 935 O SER A 66 -2.819 7.174 -3.212 1.00 0.00 O ATOM 936 CB SER A 66 -3.138 9.719 -5.508 1.00 0.00 C ATOM 937 OG SER A 66 -3.670 8.695 -6.330 1.00 0.00 O ATOM 0 H SER A 66 -1.375 7.280 -4.943 1.00 0.00 H new ATOM 0 HA SER A 66 -1.681 9.959 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.951 10.262 -5.026 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.596 10.438 -6.122 1.00 0.00 H new ATOM 0 HG SER A 66 -4.135 9.097 -7.094 1.00 0.00 H new ATOM 943 N GLN A 67 -3.916 9.079 -2.729 1.00 0.00 N ATOM 944 CA GLN A 67 -4.754 8.466 -1.705 1.00 0.00 C ATOM 945 C GLN A 67 -5.670 7.409 -2.313 1.00 0.00 C ATOM 946 O GLN A 67 -5.743 6.282 -1.825 1.00 0.00 O ATOM 947 CB GLN A 67 -5.587 9.532 -0.992 1.00 0.00 C ATOM 948 CG GLN A 67 -5.921 9.180 0.449 1.00 0.00 C ATOM 949 CD GLN A 67 -7.174 8.334 0.567 1.00 0.00 C ATOM 950 OE1 GLN A 67 -8.015 8.321 -0.332 1.00 0.00 O ATOM 951 NE2 GLN A 67 -7.304 7.622 1.680 1.00 0.00 N ATOM 0 H GLN A 67 -4.088 10.074 -2.875 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.101 7.981 -0.979 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.045 10.477 -1.010 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.514 9.686 -1.544 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.082 8.644 0.892 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.051 10.098 1.023 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.582 7.663 2.399 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.126 7.034 1.816 1.00 0.00 H new ATOM 960 N GLU A 68 -6.369 7.782 -3.380 1.00 0.00 N ATOM 961 CA GLU A 68 -7.282 6.865 -4.054 1.00 0.00 C ATOM 962 C GLU A 68 -6.624 5.506 -4.274 1.00 0.00 C ATOM 963 O GLU A 68 -7.288 4.470 -4.237 1.00 0.00 O ATOM 964 CB GLU A 68 -7.731 7.450 -5.395 1.00 0.00 C ATOM 965 CG GLU A 68 -6.584 7.735 -6.349 1.00 0.00 C ATOM 966 CD GLU A 68 -7.059 8.238 -7.698 1.00 0.00 C ATOM 967 OE1 GLU A 68 -7.450 9.421 -7.786 1.00 0.00 O ATOM 968 OE2 GLU A 68 -7.040 7.450 -8.666 1.00 0.00 O ATOM 0 H GLU A 68 -6.321 8.712 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.155 6.728 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.424 6.756 -5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.280 8.374 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.920 8.475 -5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.999 6.826 -6.490 1.00 0.00 H new ATOM 975 N ILE A 69 -5.316 5.519 -4.505 1.00 0.00 N ATOM 976 CA ILE A 69 -4.567 4.289 -4.731 1.00 0.00 C ATOM 977 C ILE A 69 -4.192 3.623 -3.411 1.00 0.00 C ATOM 978 O ILE A 69 -4.134 2.397 -3.317 1.00 0.00 O ATOM 979 CB ILE A 69 -3.285 4.550 -5.544 1.00 0.00 C ATOM 980 CG1 ILE A 69 -3.638 5.068 -6.940 1.00 0.00 C ATOM 981 CG2 ILE A 69 -2.450 3.282 -5.638 1.00 0.00 C ATOM 982 CD1 ILE A 69 -2.429 5.442 -7.769 1.00 0.00 C ATOM 0 H ILE A 69 -4.752 6.368 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.218 3.624 -5.299 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.696 5.311 -5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.209 4.304 -7.468 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.285 5.939 -6.842 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.548 3.483 -6.215 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.174 2.953 -4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.029 2.501 -6.130 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.754 5.801 -8.746 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.869 6.228 -7.262 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.791 4.567 -7.898 1.00 0.00 H new ATOM 994 N ALA A 70 -3.940 4.440 -2.393 1.00 0.00 N ATOM 995 CA ALA A 70 -3.574 3.930 -1.078 1.00 0.00 C ATOM 996 C ALA A 70 -4.691 3.074 -0.491 1.00 0.00 C ATOM 997 O ALA A 70 -4.441 1.997 0.049 1.00 0.00 O ATOM 998 CB ALA A 70 -3.240 5.081 -0.140 1.00 0.00 C ATOM 0 H ALA A 70 -3.983 5.457 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.691 3.301 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.968 4.686 0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.404 5.650 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.108 5.732 -0.040 1.00 0.00 H new ATOM 1004 N GLU A 71 -5.923 3.561 -0.599 1.00 0.00 N ATOM 1005 CA GLU A 71 -7.078 2.839 -0.077 1.00 0.00 C ATOM 1006 C GLU A 71 -7.159 1.437 -0.674 1.00 0.00 C ATOM 1007 O GLU A 71 -7.373 0.457 0.041 1.00 0.00 O ATOM 1008 CB GLU A 71 -8.366 3.608 -0.377 1.00 0.00 C ATOM 1009 CG GLU A 71 -8.691 4.678 0.652 1.00 0.00 C ATOM 1010 CD GLU A 71 -10.162 4.706 1.020 1.00 0.00 C ATOM 1011 OE1 GLU A 71 -10.994 4.930 0.116 1.00 0.00 O ATOM 1012 OE2 GLU A 71 -10.481 4.505 2.209 1.00 0.00 O ATOM 0 H GLU A 71 -6.147 4.452 -1.043 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.960 2.749 1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.280 4.074 -1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.196 2.903 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.099 4.504 1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.399 5.653 0.261 1.00 0.00 H new ATOM 1019 N LYS A 72 -6.985 1.350 -1.987 1.00 0.00 N ATOM 1020 CA LYS A 72 -7.038 0.069 -2.683 1.00 0.00 C ATOM 1021 C LYS A 72 -6.027 -0.911 -2.095 1.00 0.00 C ATOM 1022 O LYS A 72 -6.273 -2.115 -2.042 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.766 0.264 -4.176 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.703 1.258 -4.839 1.00 0.00 C ATOM 1025 CD LYS A 72 -7.720 1.087 -6.349 1.00 0.00 C ATOM 1026 CE LYS A 72 -6.816 2.099 -7.035 1.00 0.00 C ATOM 1027 NZ LYS A 72 -7.161 2.266 -8.474 1.00 0.00 N ATOM 0 H LYS A 72 -6.806 2.151 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.038 -0.345 -2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.738 0.602 -4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.853 -0.698 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.711 1.127 -4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.393 2.273 -4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.398 0.078 -6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.740 1.200 -6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.897 3.061 -6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.778 1.778 -6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.522 2.964 -8.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.059 1.354 -8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.143 2.597 -8.559 1.00 0.00 H new ATOM 1041 N ALA A 73 -4.888 -0.385 -1.655 1.00 0.00 N ATOM 1042 CA ALA A 73 -3.841 -1.212 -1.068 1.00 0.00 C ATOM 1043 C ALA A 73 -4.163 -1.559 0.382 1.00 0.00 C ATOM 1044 O ALA A 73 -3.713 -2.580 0.902 1.00 0.00 O ATOM 1045 CB ALA A 73 -2.497 -0.506 -1.158 1.00 0.00 C ATOM 0 H ALA A 73 -4.667 0.610 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.788 -2.142 -1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.725 -1.136 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.255 -0.316 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.546 0.440 -0.619 1.00 0.00 H new ATOM 1051 N LEU A 74 -4.944 -0.702 1.030 1.00 0.00 N ATOM 1052 CA LEU A 74 -5.326 -0.917 2.422 1.00 0.00 C ATOM 1053 C LEU A 74 -6.073 -2.236 2.584 1.00 0.00 C ATOM 1054 O LEU A 74 -5.904 -2.939 3.580 1.00 0.00 O ATOM 1055 CB LEU A 74 -6.196 0.241 2.917 1.00 0.00 C ATOM 1056 CG LEU A 74 -5.516 1.239 3.854 1.00 0.00 C ATOM 1057 CD1 LEU A 74 -6.511 2.286 4.332 1.00 0.00 C ATOM 1058 CD2 LEU A 74 -4.888 0.518 5.038 1.00 0.00 C ATOM 0 H LEU A 74 -5.325 0.148 0.615 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.416 -0.961 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.570 0.785 2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.063 -0.176 3.430 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.724 1.745 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.009 2.988 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.913 2.824 3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.325 1.797 4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.409 1.245 5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.661 -0.015 5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.144 -0.192 4.678 1.00 0.00 H new ATOM 1070 N LYS A 75 -6.898 -2.568 1.598 1.00 0.00 N ATOM 1071 CA LYS A 75 -7.670 -3.804 1.628 1.00 0.00 C ATOM 1072 C LYS A 75 -6.751 -5.021 1.562 1.00 0.00 C ATOM 1073 O LYS A 75 -7.191 -6.155 1.749 1.00 0.00 O ATOM 1074 CB LYS A 75 -8.663 -3.840 0.463 1.00 0.00 C ATOM 1075 CG LYS A 75 -9.547 -2.607 0.381 1.00 0.00 C ATOM 1076 CD LYS A 75 -10.960 -2.902 0.856 1.00 0.00 C ATOM 1077 CE LYS A 75 -11.894 -1.732 0.589 1.00 0.00 C ATOM 1078 NZ LYS A 75 -11.558 -0.551 1.432 1.00 0.00 N ATOM 0 H LYS A 75 -7.050 -1.997 0.766 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.221 -3.835 2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.111 -3.944 -0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.294 -4.724 0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.118 -1.809 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.576 -2.246 -0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.336 -3.792 0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.947 -3.123 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.837 -1.455 -0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.922 -2.036 0.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.217 0.225 1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.637 -0.808 2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.585 -0.244 1.228 1.00 0.00 H new ATOM 1092 N LYS A 76 -5.472 -4.776 1.298 1.00 0.00 N ATOM 1093 CA LYS A 76 -4.490 -5.850 1.212 1.00 0.00 C ATOM 1094 C LYS A 76 -3.860 -6.122 2.574 1.00 0.00 C ATOM 1095 O LYS A 76 -2.723 -6.587 2.661 1.00 0.00 O ATOM 1096 CB LYS A 76 -3.402 -5.493 0.196 1.00 0.00 C ATOM 1097 CG LYS A 76 -3.935 -5.234 -1.201 1.00 0.00 C ATOM 1098 CD LYS A 76 -2.833 -4.782 -2.144 1.00 0.00 C ATOM 1099 CE LYS A 76 -1.964 -5.950 -2.587 1.00 0.00 C ATOM 1100 NZ LYS A 76 -2.043 -6.173 -4.058 1.00 0.00 N ATOM 0 H LYS A 76 -5.091 -3.843 1.140 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.004 -6.753 0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.870 -4.607 0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.676 -6.305 0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.397 -6.142 -1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.714 -4.473 -1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.274 -4.303 -3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.214 -4.034 -1.650 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.929 -5.761 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.277 -6.854 -2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.138 -6.554 -4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.805 -6.850 -4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.241 -5.271 -4.536 1.00 0.00 H new ATOM 1114 N HIS A 77 -4.605 -5.831 3.635 1.00 0.00 N ATOM 1115 CA HIS A 77 -4.120 -6.046 4.993 1.00 0.00 C ATOM 1116 C HIS A 77 -4.067 -7.536 5.321 1.00 0.00 C ATOM 1117 O HIS A 77 -4.794 -8.338 4.735 1.00 0.00 O ATOM 1118 CB HIS A 77 -5.015 -5.322 5.999 1.00 0.00 C ATOM 1119 CG HIS A 77 -4.877 -5.833 7.400 1.00 0.00 C ATOM 1120 ND1 HIS A 77 -3.991 -5.299 8.312 1.00 0.00 N ATOM 1121 CD2 HIS A 77 -5.520 -6.834 8.045 1.00 0.00 C ATOM 1122 CE1 HIS A 77 -4.094 -5.950 9.456 1.00 0.00 C ATOM 1123 NE2 HIS A 77 -5.016 -6.887 9.321 1.00 0.00 N ATOM 0 H HIS A 77 -5.548 -5.445 3.580 1.00 0.00 H new ATOM 0 HA HIS A 77 -3.111 -5.640 5.060 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -4.778 -4.258 5.984 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.054 -5.421 5.686 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -3.355 -4.522 8.131 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.287 -7.473 7.633 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.522 -5.751 10.350 1.00 0.00 H new ATOM 1131 N LYS A 78 -3.200 -7.899 6.261 1.00 0.00 N ATOM 1132 CA LYS A 78 -3.052 -9.292 6.667 1.00 0.00 C ATOM 1133 C LYS A 78 -2.550 -10.147 5.509 1.00 0.00 C ATOM 1134 O LYS A 78 -2.484 -11.371 5.612 1.00 0.00 O ATOM 1135 CB LYS A 78 -4.385 -9.839 7.180 1.00 0.00 C ATOM 1136 CG LYS A 78 -4.436 -10.003 8.689 1.00 0.00 C ATOM 1137 CD LYS A 78 -3.424 -11.029 9.174 1.00 0.00 C ATOM 1138 CE LYS A 78 -3.829 -11.620 10.516 1.00 0.00 C ATOM 1139 NZ LYS A 78 -3.185 -12.941 10.755 1.00 0.00 N ATOM 0 H LYS A 78 -2.590 -7.248 6.755 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.316 -9.334 7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.187 -9.169 6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.576 -10.804 6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.240 -9.043 9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.438 -10.309 8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.331 -11.827 8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.444 -10.561 9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.553 -10.931 11.315 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.913 -11.732 10.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.485 -13.312 11.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.468 -13.606 10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.151 -12.830 10.746 1.00 0.00 H new ATOM 1153 N GLU A 79 -2.197 -9.493 4.406 1.00 0.00 N ATOM 1154 CA GLU A 79 -1.701 -10.195 3.227 1.00 0.00 C ATOM 1155 C GLU A 79 -0.286 -10.718 3.462 1.00 0.00 C ATOM 1156 O GLU A 79 0.661 -9.941 3.585 1.00 0.00 O ATOM 1157 CB GLU A 79 -1.720 -9.270 2.010 1.00 0.00 C ATOM 1158 CG GLU A 79 -3.120 -8.932 1.523 1.00 0.00 C ATOM 1159 CD GLU A 79 -3.843 -10.134 0.947 1.00 0.00 C ATOM 1160 OE1 GLU A 79 -4.108 -11.087 1.709 1.00 0.00 O ATOM 1161 OE2 GLU A 79 -4.143 -10.122 -0.266 1.00 0.00 O ATOM 0 H GLU A 79 -2.245 -8.479 4.304 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.357 -11.044 3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.198 -8.346 2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.166 -9.741 1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.701 -8.526 2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.058 -8.152 0.764 1.00 0.00 H new ATOM 1168 N ARG A 80 -0.152 -12.038 3.521 1.00 0.00 N ATOM 1169 CA ARG A 80 1.145 -12.665 3.742 1.00 0.00 C ATOM 1170 C ARG A 80 1.923 -12.779 2.434 1.00 0.00 C ATOM 1171 O ARG A 80 1.348 -13.057 1.381 1.00 0.00 O ATOM 1172 CB ARG A 80 0.967 -14.051 4.365 1.00 0.00 C ATOM 1173 CG ARG A 80 0.370 -15.075 3.412 1.00 0.00 C ATOM 1174 CD ARG A 80 1.440 -15.983 2.827 1.00 0.00 C ATOM 1175 NE ARG A 80 0.871 -17.023 1.975 1.00 0.00 N ATOM 1176 CZ ARG A 80 0.394 -16.795 0.757 1.00 0.00 C ATOM 1177 NH1 ARG A 80 0.419 -15.571 0.249 1.00 0.00 N ATOM 1178 NH2 ARG A 80 -0.110 -17.793 0.042 1.00 0.00 N ATOM 0 H ARG A 80 -0.926 -12.694 3.419 1.00 0.00 H new ATOM 0 HA ARG A 80 1.712 -12.037 4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.935 -14.411 4.712 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.326 -13.966 5.242 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.370 -15.676 3.940 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.153 -14.561 2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.145 -15.386 2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.004 -16.446 3.636 1.00 0.00 H new ATOM 0 HE ARG A 80 0.838 -17.977 2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.806 -14.800 0.794 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.052 -15.400 -0.687 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.131 -18.737 0.428 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.476 -17.616 -0.893 1.00 0.00 H new ATOM 1192 N ILE A 81 3.232 -12.563 2.510 1.00 0.00 N ATOM 1193 CA ILE A 81 4.088 -12.643 1.333 1.00 0.00 C ATOM 1194 C ILE A 81 5.040 -13.831 1.424 1.00 0.00 C ATOM 1195 O ILE A 81 6.160 -13.705 1.915 1.00 0.00 O ATOM 1196 CB ILE A 81 4.909 -11.354 1.146 1.00 0.00 C ATOM 1197 CG1 ILE A 81 3.983 -10.168 0.872 1.00 0.00 C ATOM 1198 CG2 ILE A 81 5.911 -11.524 0.014 1.00 0.00 C ATOM 1199 CD1 ILE A 81 4.652 -8.823 1.057 1.00 0.00 C ATOM 0 H ILE A 81 3.723 -12.331 3.374 1.00 0.00 H new ATOM 0 HA ILE A 81 3.431 -12.773 0.473 1.00 0.00 H new ATOM 0 HB ILE A 81 5.460 -11.155 2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.606 -10.240 -0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.120 -10.230 1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.484 -10.604 -0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.588 -12.345 0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.380 -11.744 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.936 -8.029 0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.005 -8.730 2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.498 -8.740 0.374 1.00 0.00 H new ATOM 1211 N GLY A 82 4.585 -14.985 0.945 1.00 0.00 N ATOM 1212 CA GLY A 82 5.409 -16.179 0.981 1.00 0.00 C ATOM 1213 C GLY A 82 5.088 -17.071 2.163 1.00 0.00 C ATOM 1214 O GLY A 82 4.820 -18.261 1.998 1.00 0.00 O ATOM 0 H GLY A 82 3.661 -15.114 0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.269 -16.741 0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.459 -15.890 1.023 1.00 0.00 H new ATOM 1218 N HIS A 83 5.115 -16.495 3.361 1.00 0.00 N ATOM 1219 CA HIS A 83 4.825 -17.246 4.578 1.00 0.00 C ATOM 1220 C HIS A 83 4.887 -16.341 5.803 1.00 0.00 C ATOM 1221 O HIS A 83 5.427 -16.723 6.842 1.00 0.00 O ATOM 1222 CB HIS A 83 5.810 -18.405 4.733 1.00 0.00 C ATOM 1223 CG HIS A 83 7.207 -17.965 5.047 1.00 0.00 C ATOM 1224 ND1 HIS A 83 8.050 -17.410 4.107 1.00 0.00 N ATOM 1225 CD2 HIS A 83 7.907 -18.000 6.204 1.00 0.00 C ATOM 1226 CE1 HIS A 83 9.209 -17.123 4.672 1.00 0.00 C ATOM 1227 NE2 HIS A 83 9.148 -17.470 5.945 1.00 0.00 N ATOM 0 H HIS A 83 5.335 -15.511 3.515 1.00 0.00 H new ATOM 0 HA HIS A 83 3.815 -17.647 4.497 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.459 -19.066 5.526 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.820 -18.989 3.812 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.556 -18.375 7.154 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.061 -16.680 4.178 1.00 0.00 H new ATOM 0 HE2 HIS A 83 9.900 -17.362 6.625 1.00 0.00 H new ATOM 1235 N ARG A 84 4.334 -15.140 5.675 1.00 0.00 N ATOM 1236 CA ARG A 84 4.329 -14.179 6.772 1.00 0.00 C ATOM 1237 C ARG A 84 3.304 -13.075 6.524 1.00 0.00 C ATOM 1238 O ARG A 84 3.505 -12.207 5.675 1.00 0.00 O ATOM 1239 CB ARG A 84 5.720 -13.567 6.948 1.00 0.00 C ATOM 1240 CG ARG A 84 6.494 -14.143 8.122 1.00 0.00 C ATOM 1241 CD ARG A 84 6.275 -13.328 9.387 1.00 0.00 C ATOM 1242 NE ARG A 84 7.028 -13.863 10.520 1.00 0.00 N ATOM 1243 CZ ARG A 84 6.643 -14.921 11.224 1.00 0.00 C ATOM 1244 NH1 ARG A 84 5.523 -15.557 10.914 1.00 0.00 N ATOM 1245 NH2 ARG A 84 7.382 -15.348 12.240 1.00 0.00 N ATOM 0 H ARG A 84 3.883 -14.808 4.822 1.00 0.00 H new ATOM 0 HA ARG A 84 4.054 -14.709 7.684 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.294 -13.721 6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.620 -12.490 7.083 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.183 -15.174 8.294 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.557 -14.166 7.882 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.573 -12.295 9.209 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.213 -13.316 9.631 1.00 0.00 H new ATOM 0 HE ARG A 84 7.897 -13.398 10.784 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.953 -15.234 10.132 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.231 -16.369 11.457 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.247 -14.863 12.481 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.085 -16.161 12.780 1.00 0.00 H new ATOM 1259 N TYR A 85 2.206 -13.117 7.270 1.00 0.00 N ATOM 1260 CA TYR A 85 1.148 -12.124 7.130 1.00 0.00 C ATOM 1261 C TYR A 85 1.710 -10.710 7.252 1.00 0.00 C ATOM 1262 O TYR A 85 2.571 -10.442 8.089 1.00 0.00 O ATOM 1263 CB TYR A 85 0.066 -12.347 8.188 1.00 0.00 C ATOM 1264 CG TYR A 85 -0.593 -13.705 8.102 1.00 0.00 C ATOM 1265 CD1 TYR A 85 -1.452 -14.017 7.055 1.00 0.00 C ATOM 1266 CD2 TYR A 85 -0.357 -14.676 9.068 1.00 0.00 C ATOM 1267 CE1 TYR A 85 -2.056 -15.256 6.974 1.00 0.00 C ATOM 1268 CE2 TYR A 85 -0.957 -15.918 8.994 1.00 0.00 C ATOM 1269 CZ TYR A 85 -1.806 -16.203 7.944 1.00 0.00 C ATOM 1270 OH TYR A 85 -2.406 -17.440 7.867 1.00 0.00 O ATOM 0 H TYR A 85 2.025 -13.828 7.978 1.00 0.00 H new ATOM 0 HA TYR A 85 0.707 -12.237 6.140 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.507 -12.228 9.178 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.697 -11.575 8.084 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.650 -13.278 6.292 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.307 -14.456 9.891 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -2.722 -15.482 6.154 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.763 -16.661 9.753 1.00 0.00 H new ATOM 0 HH TYR A 85 -2.123 -17.989 8.628 1.00 0.00 H new ATOM 1280 N ILE A 86 1.214 -9.810 6.408 1.00 0.00 N ATOM 1281 CA ILE A 86 1.663 -8.424 6.421 1.00 0.00 C ATOM 1282 C ILE A 86 0.561 -7.492 6.914 1.00 0.00 C ATOM 1283 O ILE A 86 -0.554 -7.505 6.392 1.00 0.00 O ATOM 1284 CB ILE A 86 2.119 -7.967 5.023 1.00 0.00 C ATOM 1285 CG1 ILE A 86 2.982 -9.046 4.366 1.00 0.00 C ATOM 1286 CG2 ILE A 86 2.884 -6.655 5.117 1.00 0.00 C ATOM 1287 CD1 ILE A 86 4.434 -8.997 4.784 1.00 0.00 C ATOM 0 H ILE A 86 0.502 -10.017 5.708 1.00 0.00 H new ATOM 0 HA ILE A 86 2.510 -8.374 7.105 1.00 0.00 H new ATOM 0 HB ILE A 86 1.236 -7.807 4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.574 -10.026 4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.920 -8.939 3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.199 -6.346 4.121 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.240 -5.888 5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.761 -6.790 5.750 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.985 -9.790 4.279 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.859 -8.031 4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.507 -9.135 5.863 1.00 0.00 H new ATOM 1299 N GLU A 87 0.881 -6.685 7.921 1.00 0.00 N ATOM 1300 CA GLU A 87 -0.084 -5.747 8.483 1.00 0.00 C ATOM 1301 C GLU A 87 0.119 -4.348 7.907 1.00 0.00 C ATOM 1302 O GLU A 87 1.159 -3.725 8.116 1.00 0.00 O ATOM 1303 CB GLU A 87 0.041 -5.706 10.007 1.00 0.00 C ATOM 1304 CG GLU A 87 -0.506 -6.944 10.697 1.00 0.00 C ATOM 1305 CD GLU A 87 -0.291 -6.919 12.198 1.00 0.00 C ATOM 1306 OE1 GLU A 87 -1.056 -6.218 12.894 1.00 0.00 O ATOM 1307 OE2 GLU A 87 0.642 -7.599 12.675 1.00 0.00 O ATOM 0 H GLU A 87 1.800 -6.662 8.364 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.084 -6.089 8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.091 -5.586 10.274 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.486 -4.829 10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.572 -7.031 10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.027 -7.830 10.280 1.00 0.00 H new ATOM 1314 N ILE A 88 -0.882 -3.864 7.180 1.00 0.00 N ATOM 1315 CA ILE A 88 -0.814 -2.541 6.573 1.00 0.00 C ATOM 1316 C ILE A 88 -1.663 -1.537 7.347 1.00 0.00 C ATOM 1317 O ILE A 88 -2.825 -1.799 7.657 1.00 0.00 O ATOM 1318 CB ILE A 88 -1.283 -2.568 5.106 1.00 0.00 C ATOM 1319 CG1 ILE A 88 -0.356 -3.451 4.268 1.00 0.00 C ATOM 1320 CG2 ILE A 88 -1.336 -1.157 4.540 1.00 0.00 C ATOM 1321 CD1 ILE A 88 -1.078 -4.237 3.195 1.00 0.00 C ATOM 0 H ILE A 88 -1.750 -4.368 6.997 1.00 0.00 H new ATOM 0 HA ILE A 88 0.231 -2.233 6.606 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.287 -2.990 5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.404 -2.825 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.165 -4.145 4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.669 -1.193 3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.033 -0.557 5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.344 -0.709 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.359 -4.840 2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.819 -4.889 3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.577 -3.548 2.513 1.00 0.00 H new ATOM 1333 N PHE A 89 -1.074 -0.387 7.656 1.00 0.00 N ATOM 1334 CA PHE A 89 -1.775 0.657 8.395 1.00 0.00 C ATOM 1335 C PHE A 89 -1.540 2.024 7.758 1.00 0.00 C ATOM 1336 O PHE A 89 -0.406 2.495 7.671 1.00 0.00 O ATOM 1337 CB PHE A 89 -1.316 0.675 9.854 1.00 0.00 C ATOM 1338 CG PHE A 89 -1.580 -0.612 10.581 1.00 0.00 C ATOM 1339 CD1 PHE A 89 -2.872 -1.090 10.725 1.00 0.00 C ATOM 1340 CD2 PHE A 89 -0.535 -1.344 11.122 1.00 0.00 C ATOM 1341 CE1 PHE A 89 -3.118 -2.275 11.394 1.00 0.00 C ATOM 1342 CE2 PHE A 89 -0.774 -2.529 11.791 1.00 0.00 C ATOM 1343 CZ PHE A 89 -2.067 -2.994 11.928 1.00 0.00 C ATOM 0 H PHE A 89 -0.113 -0.154 7.406 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.842 0.438 8.361 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.248 0.890 9.888 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.821 1.488 10.376 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.697 -0.531 10.310 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.478 -0.984 11.019 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.130 -2.637 11.499 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.049 -3.091 12.206 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.256 -3.919 12.452 1.00 0.00 H new ATOM 1353 N LYS A 90 -2.622 2.656 7.314 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.536 3.969 6.686 1.00 0.00 C ATOM 1355 C LYS A 90 -1.470 4.827 7.360 1.00 0.00 C ATOM 1356 O LYS A 90 -1.487 5.012 8.578 1.00 0.00 O ATOM 1357 CB LYS A 90 -3.891 4.677 6.751 1.00 0.00 C ATOM 1358 CG LYS A 90 -4.400 5.143 5.397 1.00 0.00 C ATOM 1359 CD LYS A 90 -3.639 6.362 4.905 1.00 0.00 C ATOM 1360 CE LYS A 90 -4.089 6.774 3.511 1.00 0.00 C ATOM 1361 NZ LYS A 90 -2.952 7.271 2.686 1.00 0.00 N ATOM 0 H LYS A 90 -3.568 2.280 7.378 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.256 3.827 5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.624 4.001 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.810 5.537 7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.302 4.335 4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.462 5.380 5.468 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.790 7.190 5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.571 6.146 4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.554 5.923 3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.848 7.552 3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.305 7.951 1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.255 7.738 3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.502 6.471 2.198 1.00 0.00 H new ATOM 1375 N SER A 91 -0.545 5.349 6.562 1.00 0.00 N ATOM 1376 CA SER A 91 0.530 6.185 7.083 1.00 0.00 C ATOM 1377 C SER A 91 0.639 7.486 6.292 1.00 0.00 C ATOM 1378 O SER A 91 0.000 7.648 5.253 1.00 0.00 O ATOM 1379 CB SER A 91 1.861 5.433 7.032 1.00 0.00 C ATOM 1380 OG SER A 91 2.948 6.297 7.312 1.00 0.00 O ATOM 0 H SER A 91 -0.518 5.208 5.552 1.00 0.00 H new ATOM 0 HA SER A 91 0.297 6.428 8.120 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.848 4.615 7.753 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.992 4.987 6.046 1.00 0.00 H new ATOM 0 HG SER A 91 3.734 5.765 7.555 1.00 0.00 H new ATOM 1386 N SER A 92 1.453 8.410 6.794 1.00 0.00 N ATOM 1387 CA SER A 92 1.643 9.698 6.138 1.00 0.00 C ATOM 1388 C SER A 92 3.123 10.057 6.062 1.00 0.00 C ATOM 1389 O SER A 92 3.927 9.593 6.873 1.00 0.00 O ATOM 1390 CB SER A 92 0.879 10.793 6.887 1.00 0.00 C ATOM 1391 OG SER A 92 -0.497 10.777 6.547 1.00 0.00 O ATOM 0 H SER A 92 1.991 8.290 7.652 1.00 0.00 H new ATOM 0 HA SER A 92 1.254 9.621 5.123 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.993 10.651 7.962 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.305 11.767 6.647 1.00 0.00 H new ATOM 0 HG SER A 92 -0.964 11.484 7.039 1.00 0.00 H new ATOM 1397 N ARG A 93 3.477 10.883 5.084 1.00 0.00 N ATOM 1398 CA ARG A 93 4.860 11.304 4.901 1.00 0.00 C ATOM 1399 C ARG A 93 5.513 11.623 6.243 1.00 0.00 C ATOM 1400 O ARG A 93 6.644 11.215 6.507 1.00 0.00 O ATOM 1401 CB ARG A 93 4.928 12.527 3.985 1.00 0.00 C ATOM 1402 CG ARG A 93 6.333 13.078 3.808 1.00 0.00 C ATOM 1403 CD ARG A 93 6.581 13.523 2.375 1.00 0.00 C ATOM 1404 NE ARG A 93 7.065 14.899 2.305 1.00 0.00 N ATOM 1405 CZ ARG A 93 7.087 15.614 1.185 1.00 0.00 C ATOM 1406 NH1 ARG A 93 6.654 15.086 0.049 1.00 0.00 N ATOM 1407 NH2 ARG A 93 7.543 16.860 1.202 1.00 0.00 N ATOM 0 H ARG A 93 2.824 11.275 4.405 1.00 0.00 H new ATOM 0 HA ARG A 93 5.405 10.482 4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.525 12.261 3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.288 13.310 4.391 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.482 13.921 4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.061 12.316 4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.309 12.859 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.657 13.434 1.803 1.00 0.00 H new ATOM 0 HE ARG A 93 7.405 15.335 3.162 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.303 14.129 0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.672 15.637 -0.809 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.877 17.269 2.075 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.560 17.409 0.342 1.00 0.00 H new