USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 569 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0142) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= 1.13 (180deg=0.673) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 29 HIS : no HD1:sc= -0.792 K(o=-0.79,f=-1.7!) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 1.27 (180deg=0.718) USER MOD Single : A 34 CYS SG : rot 93:sc= 1.23 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 167:sc=-0.00614 (180deg=-0.127) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc=-0.00403 F(o=-0.85,f=-0.004) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.415 F(o=-1.3!,f=-0.41) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.77! C(o=-1.8!,f=-3.9!) USER MOD Single : A 64 LYS NZ :NH3+ -178:sc= 1.57 (180deg=1.56) USER MOD Single : A 69 THR OG1 : rot -160:sc= -0.798 USER MOD Single : A 73 SER OG : rot 180:sc=-0.00259 USER MOD Single : A 74 TYR OH : rot 180:sc= 0.565 USER MOD Single : A 76 TYR OH : rot 150:sc= -1.52 USER MOD Single : A 78 LYS NZ :NH3+ 149:sc= 1.11 (180deg=0.28!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -20:sc= 0.0619 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -7.239 -2.522 8.497 1.00 0.00 N ATOM 245 CA GLU A 14 -7.224 -3.971 8.279 1.00 0.00 C ATOM 246 C GLU A 14 -5.797 -4.491 8.076 1.00 0.00 C ATOM 247 O GLU A 14 -5.421 -5.511 8.636 1.00 0.00 O ATOM 248 CB GLU A 14 -8.101 -4.351 7.057 1.00 0.00 C ATOM 249 CG GLU A 14 -7.551 -3.855 5.720 1.00 0.00 C ATOM 250 CD GLU A 14 -8.471 -4.063 4.560 1.00 0.00 C ATOM 251 OE1 GLU A 14 -8.449 -5.148 3.943 1.00 0.00 O ATOM 252 OE2 GLU A 14 -9.213 -3.111 4.222 1.00 0.00 O ATOM 0 HA GLU A 14 -7.636 -4.440 9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.201 -5.436 7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.102 -3.944 7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.327 -2.792 5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.609 -4.364 5.517 1.00 0.00 H new ATOM 259 N ILE A 15 -4.994 -3.693 7.368 1.00 0.00 N ATOM 260 CA ILE A 15 -3.683 -4.066 6.875 1.00 0.00 C ATOM 261 C ILE A 15 -2.695 -4.339 7.974 1.00 0.00 C ATOM 262 O ILE A 15 -1.733 -5.091 7.770 1.00 0.00 O ATOM 263 CB ILE A 15 -3.156 -2.987 5.882 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.834 -1.659 6.575 1.00 0.00 C ATOM 265 CG2 ILE A 15 -4.200 -2.768 4.812 1.00 0.00 C ATOM 266 CD1 ILE A 15 -1.375 -1.470 6.947 1.00 0.00 C ATOM 0 H ILE A 15 -5.255 -2.739 7.118 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.795 -5.010 6.342 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.224 -3.350 5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.136 -0.842 5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.437 -1.582 7.479 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.847 -2.015 4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.380 -3.704 4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.127 -2.427 5.273 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.245 -0.502 7.432 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.068 -2.262 7.630 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.762 -1.510 6.047 1.00 0.00 H new ATOM 278 N LYS A 16 -2.950 -3.753 9.141 1.00 0.00 N ATOM 279 CA LYS A 16 -2.073 -3.913 10.288 1.00 0.00 C ATOM 280 C LYS A 16 -1.820 -5.365 10.647 1.00 0.00 C ATOM 281 O LYS A 16 -0.690 -5.846 10.586 1.00 0.00 O ATOM 282 CB LYS A 16 -2.488 -3.074 11.521 1.00 0.00 C ATOM 283 CG LYS A 16 -2.073 -1.598 11.481 1.00 0.00 C ATOM 284 CD LYS A 16 -2.828 -0.775 10.456 1.00 0.00 C ATOM 285 CE LYS A 16 -2.209 0.612 10.326 1.00 0.00 C ATOM 286 NZ LYS A 16 -2.971 1.488 9.414 1.00 0.00 N ATOM 0 H LYS A 16 -3.762 -3.161 9.313 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.119 -3.500 9.959 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.572 -3.127 11.627 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.058 -3.531 12.412 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.226 -1.161 12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.006 -1.536 11.267 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.810 -1.280 9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.874 -0.687 10.750 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.156 1.076 11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.186 0.517 9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.509 2.418 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.001 1.061 8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.941 1.603 9.772 1.00 0.00 H new ATOM 300 N LYS A 17 -2.858 -6.075 10.931 1.00 0.00 N ATOM 301 CA LYS A 17 -2.730 -7.475 11.307 1.00 0.00 C ATOM 302 C LYS A 17 -2.642 -8.388 10.079 1.00 0.00 C ATOM 303 O LYS A 17 -2.666 -9.618 10.196 1.00 0.00 O ATOM 304 CB LYS A 17 -3.880 -7.906 12.216 1.00 0.00 C ATOM 305 CG LYS A 17 -3.974 -7.116 13.518 1.00 0.00 C ATOM 306 CD LYS A 17 -5.096 -7.629 14.411 1.00 0.00 C ATOM 307 CE LYS A 17 -6.462 -7.547 13.732 1.00 0.00 C ATOM 308 NZ LYS A 17 -6.881 -6.167 13.440 1.00 0.00 N ATOM 0 H LYS A 17 -3.816 -5.724 10.915 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.797 -7.575 11.861 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.818 -7.801 11.671 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.765 -8.964 12.453 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.026 -7.181 14.052 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.141 -6.063 13.293 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.892 -8.663 14.688 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.116 -7.050 15.334 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.434 -8.116 12.803 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.208 -8.019 14.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.835 -6.174 13.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.889 -5.613 14.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.215 -5.737 12.766 1.00 0.00 H new ATOM 322 N LYS A 18 -2.511 -7.794 8.917 1.00 0.00 N ATOM 323 CA LYS A 18 -2.399 -8.542 7.683 1.00 0.00 C ATOM 324 C LYS A 18 -0.946 -8.792 7.358 1.00 0.00 C ATOM 325 O LYS A 18 -0.509 -9.939 7.301 1.00 0.00 O ATOM 326 CB LYS A 18 -3.055 -7.784 6.536 1.00 0.00 C ATOM 327 CG LYS A 18 -4.540 -7.559 6.707 1.00 0.00 C ATOM 328 CD LYS A 18 -5.343 -8.822 6.525 1.00 0.00 C ATOM 329 CE LYS A 18 -5.291 -9.262 5.081 1.00 0.00 C ATOM 330 NZ LYS A 18 -6.028 -10.519 4.861 1.00 0.00 N ATOM 0 H LYS A 18 -2.479 -6.781 8.798 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.910 -9.496 7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.563 -6.817 6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.887 -8.334 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.730 -7.152 7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.876 -6.813 5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.949 -9.609 7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.377 -8.652 6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.711 -8.480 4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.252 -9.393 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.968 -10.786 3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.612 -11.272 5.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.025 -10.387 5.125 1.00 0.00 H new ATOM 344 N PHE A 19 -0.193 -7.722 7.166 1.00 0.00 N ATOM 345 CA PHE A 19 1.213 -7.854 6.812 1.00 0.00 C ATOM 346 C PHE A 19 2.038 -7.982 8.091 1.00 0.00 C ATOM 347 O PHE A 19 3.150 -8.530 8.076 1.00 0.00 O ATOM 348 CB PHE A 19 1.683 -6.635 5.966 1.00 0.00 C ATOM 349 CG PHE A 19 2.995 -6.833 5.239 1.00 0.00 C ATOM 350 CD1 PHE A 19 4.200 -6.667 5.888 1.00 0.00 C ATOM 351 CD2 PHE A 19 3.017 -7.153 3.902 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.392 -6.810 5.225 1.00 0.00 C ATOM 353 CE2 PHE A 19 4.213 -7.300 3.241 1.00 0.00 C ATOM 354 CZ PHE A 19 5.408 -7.125 3.903 1.00 0.00 C ATOM 0 H PHE A 19 -0.526 -6.761 7.248 1.00 0.00 H new ATOM 0 HA PHE A 19 1.353 -8.748 6.204 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.910 -6.400 5.234 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.775 -5.769 6.622 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.205 -6.419 6.939 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.088 -7.290 3.368 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.322 -6.672 5.756 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.216 -7.555 2.192 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.345 -7.237 3.378 1.00 0.00 H new ATOM 364 N LYS A 20 1.447 -7.508 9.202 1.00 0.00 N ATOM 365 CA LYS A 20 2.080 -7.493 10.512 1.00 0.00 C ATOM 366 C LYS A 20 3.180 -6.447 10.549 1.00 0.00 C ATOM 367 O LYS A 20 4.361 -6.724 10.292 1.00 0.00 O ATOM 368 CB LYS A 20 2.562 -8.897 10.950 1.00 0.00 C ATOM 369 CG LYS A 20 3.382 -8.945 12.222 1.00 0.00 C ATOM 370 CD LYS A 20 3.952 -10.331 12.435 1.00 0.00 C ATOM 371 CE LYS A 20 5.012 -10.342 13.511 1.00 0.00 C ATOM 372 NZ LYS A 20 6.168 -9.470 13.169 1.00 0.00 N ATOM 0 H LYS A 20 0.503 -7.121 9.204 1.00 0.00 H new ATOM 0 HA LYS A 20 1.331 -7.208 11.251 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.689 -9.536 11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.155 -9.326 10.142 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.192 -8.217 12.167 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.760 -8.667 13.073 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.149 -11.016 12.708 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.379 -10.696 11.501 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.575 -10.010 14.453 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.362 -11.363 13.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.995 -9.753 13.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.389 -9.568 12.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.929 -8.479 13.377 1.00 0.00 H new ATOM 386 N LEU A 21 2.776 -5.228 10.801 1.00 0.00 N ATOM 387 CA LEU A 21 3.704 -4.135 10.823 1.00 0.00 C ATOM 388 C LEU A 21 4.087 -3.831 12.252 1.00 0.00 C ATOM 389 O LEU A 21 5.227 -4.063 12.660 1.00 0.00 O ATOM 390 CB LEU A 21 3.137 -2.869 10.120 1.00 0.00 C ATOM 391 CG LEU A 21 2.555 -3.050 8.676 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.461 -3.901 7.852 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.108 -3.592 8.618 1.00 0.00 C ATOM 0 H LEU A 21 1.808 -4.971 10.994 1.00 0.00 H new ATOM 0 HA LEU A 21 4.591 -4.431 10.263 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.351 -2.456 10.752 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.932 -2.125 10.073 1.00 0.00 H new ATOM 0 HG LEU A 21 2.501 -2.043 8.262 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.042 -4.017 6.852 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.441 -3.428 7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.563 -4.881 8.318 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.795 -3.683 7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.067 -4.571 9.096 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.441 -2.905 9.139 1.00 0.00 H new ATOM 405 N THR A 22 3.091 -3.391 13.008 1.00 0.00 N ATOM 406 CA THR A 22 3.179 -3.019 14.416 1.00 0.00 C ATOM 407 C THR A 22 4.490 -2.320 14.797 1.00 0.00 C ATOM 408 O THR A 22 5.421 -2.922 15.377 1.00 0.00 O ATOM 409 CB THR A 22 2.746 -4.171 15.410 1.00 0.00 C ATOM 410 OG1 THR A 22 2.937 -3.782 16.782 1.00 0.00 O ATOM 411 CG2 THR A 22 3.469 -5.490 15.142 1.00 0.00 C ATOM 0 H THR A 22 2.148 -3.277 12.637 1.00 0.00 H new ATOM 0 HA THR A 22 2.419 -2.249 14.545 1.00 0.00 H new ATOM 0 HB THR A 22 1.684 -4.334 15.229 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.659 -4.514 17.371 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.131 -6.242 15.855 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.249 -5.826 14.129 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.544 -5.344 15.251 1.00 0.00 H new ATOM 459 N GLN A 26 8.449 3.740 7.430 1.00 0.00 N ATOM 460 CA GLN A 26 8.386 4.799 6.456 1.00 0.00 C ATOM 461 C GLN A 26 8.542 4.183 5.081 1.00 0.00 C ATOM 462 O GLN A 26 8.774 2.979 4.971 1.00 0.00 O ATOM 463 CB GLN A 26 9.517 5.825 6.681 1.00 0.00 C ATOM 464 CG GLN A 26 10.909 5.336 6.269 1.00 0.00 C ATOM 465 CD GLN A 26 11.971 6.406 6.377 1.00 0.00 C ATOM 466 OE1 GLN A 26 11.687 7.610 6.277 1.00 0.00 O ATOM 467 NE2 GLN A 26 13.202 5.995 6.510 1.00 0.00 N ATOM 0 HA GLN A 26 7.431 5.317 6.549 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.284 6.732 6.123 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.539 6.097 7.736 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.190 4.489 6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.871 4.973 5.242 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.401 4.998 6.590 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.966 6.671 6.534 1.00 0.00 H new ATOM 476 N VAL A 27 8.405 4.988 4.047 1.00 0.00 N ATOM 477 CA VAL A 27 8.672 4.529 2.702 1.00 0.00 C ATOM 478 C VAL A 27 10.132 4.261 2.541 1.00 0.00 C ATOM 479 O VAL A 27 10.979 5.072 2.926 1.00 0.00 O ATOM 480 CB VAL A 27 8.197 5.530 1.633 1.00 0.00 C ATOM 481 CG1 VAL A 27 8.739 5.205 0.246 1.00 0.00 C ATOM 482 CG2 VAL A 27 6.720 5.517 1.588 1.00 0.00 C ATOM 0 H VAL A 27 8.111 5.962 4.114 1.00 0.00 H new ATOM 0 HA VAL A 27 8.106 3.609 2.553 1.00 0.00 H new ATOM 0 HB VAL A 27 8.575 6.514 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.373 5.942 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.829 5.229 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.403 4.212 -0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.373 6.223 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.373 4.515 1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.324 5.803 2.562 1.00 0.00 H new ATOM 492 N ILE A 28 10.404 3.143 2.007 1.00 0.00 N ATOM 493 CA ILE A 28 11.736 2.687 1.807 1.00 0.00 C ATOM 494 C ILE A 28 12.187 3.001 0.376 1.00 0.00 C ATOM 495 O ILE A 28 13.345 3.330 0.146 1.00 0.00 O ATOM 496 CB ILE A 28 11.820 1.148 2.057 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.278 0.779 3.456 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.240 0.631 1.884 1.00 0.00 C ATOM 499 CD1 ILE A 28 11.997 1.439 4.617 1.00 0.00 C ATOM 0 H ILE A 28 9.692 2.489 1.682 1.00 0.00 H new ATOM 0 HA ILE A 28 12.391 3.199 2.511 1.00 0.00 H new ATOM 0 HB ILE A 28 11.193 0.665 1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.222 1.047 3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.338 -0.302 3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.261 -0.444 2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.580 0.834 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 28 13.898 1.132 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.544 1.118 5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 28 13.048 1.152 4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.916 2.522 4.527 1.00 0.00 H new ATOM 511 N HIS A 29 11.251 2.955 -0.580 1.00 0.00 N ATOM 512 CA HIS A 29 11.593 3.094 -2.018 1.00 0.00 C ATOM 513 C HIS A 29 10.358 3.365 -2.814 1.00 0.00 C ATOM 514 O HIS A 29 9.243 3.253 -2.298 1.00 0.00 O ATOM 515 CB HIS A 29 12.237 1.811 -2.626 1.00 0.00 C ATOM 516 CG HIS A 29 13.652 1.490 -2.215 1.00 0.00 C ATOM 517 ND1 HIS A 29 13.985 0.359 -1.509 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.820 2.133 -2.447 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.286 0.324 -1.328 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.816 1.382 -1.885 1.00 0.00 N ATOM 0 H HIS A 29 10.256 2.824 -0.396 1.00 0.00 H new ATOM 0 HA HIS A 29 12.310 3.913 -2.069 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.608 0.960 -2.364 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.213 1.903 -3.712 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.943 3.066 -2.977 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.828 -0.450 -0.806 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.810 1.610 -1.898 1.00 0.00 H new ATOM 529 N LEU A 30 10.549 3.627 -4.079 1.00 0.00 N ATOM 530 CA LEU A 30 9.456 3.919 -4.973 1.00 0.00 C ATOM 531 C LEU A 30 9.324 2.795 -5.989 1.00 0.00 C ATOM 532 O LEU A 30 10.231 2.533 -6.757 1.00 0.00 O ATOM 533 CB LEU A 30 9.654 5.271 -5.711 1.00 0.00 C ATOM 534 CG LEU A 30 9.746 6.570 -4.864 1.00 0.00 C ATOM 535 CD1 LEU A 30 8.586 6.697 -3.909 1.00 0.00 C ATOM 536 CD2 LEU A 30 11.083 6.715 -4.142 1.00 0.00 C ATOM 0 H LEU A 30 11.468 3.645 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 30 8.547 4.000 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.566 5.195 -6.303 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.828 5.390 -6.412 1.00 0.00 H new ATOM 0 HG LEU A 30 9.686 7.398 -5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.687 7.618 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.653 6.720 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.579 5.845 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.087 7.641 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.227 5.870 -3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.891 6.738 -4.873 1.00 0.00 H new ATOM 548 N ALA A 31 8.236 2.130 -5.955 1.00 0.00 N ATOM 549 CA ALA A 31 7.948 1.048 -6.879 1.00 0.00 C ATOM 550 C ALA A 31 7.100 1.516 -8.041 1.00 0.00 C ATOM 551 O ALA A 31 6.394 2.501 -7.960 1.00 0.00 O ATOM 552 CB ALA A 31 7.260 -0.112 -6.189 1.00 0.00 C ATOM 0 H ALA A 31 7.491 2.307 -5.281 1.00 0.00 H new ATOM 0 HA ALA A 31 8.910 0.707 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.062 -0.901 -6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.904 -0.499 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.319 0.228 -5.757 1.00 0.00 H new ATOM 558 N LYS A 32 7.196 0.807 -9.104 1.00 0.00 N ATOM 559 CA LYS A 32 6.423 1.042 -10.278 1.00 0.00 C ATOM 560 C LYS A 32 5.397 -0.042 -10.372 1.00 0.00 C ATOM 561 O LYS A 32 5.751 -1.219 -10.284 1.00 0.00 O ATOM 562 CB LYS A 32 7.344 1.028 -11.515 1.00 0.00 C ATOM 563 CG LYS A 32 6.656 1.261 -12.865 1.00 0.00 C ATOM 564 CD LYS A 32 7.697 1.433 -13.973 1.00 0.00 C ATOM 565 CE LYS A 32 8.513 0.165 -14.223 1.00 0.00 C ATOM 566 NZ LYS A 32 7.815 -0.794 -15.103 1.00 0.00 N ATOM 0 H LYS A 32 7.836 0.018 -9.189 1.00 0.00 H new ATOM 0 HA LYS A 32 5.932 2.014 -10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.110 1.793 -11.383 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.857 0.067 -11.551 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.004 0.419 -13.098 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.025 2.148 -12.810 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.194 1.723 -14.895 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.372 2.247 -13.708 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.469 0.435 -14.672 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.733 -0.315 -13.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.224 -1.742 -14.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.804 -0.817 -14.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.925 -0.499 -16.094 1.00 0.00 H new ATOM 580 N ALA A 33 4.132 0.333 -10.446 1.00 0.00 N ATOM 581 CA ALA A 33 3.095 -0.637 -10.663 1.00 0.00 C ATOM 582 C ALA A 33 3.286 -1.229 -12.029 1.00 0.00 C ATOM 583 O ALA A 33 3.035 -0.575 -13.040 1.00 0.00 O ATOM 584 CB ALA A 33 1.741 -0.009 -10.561 1.00 0.00 C ATOM 0 H ALA A 33 3.809 1.296 -10.359 1.00 0.00 H new ATOM 0 HA ALA A 33 3.157 -1.412 -9.899 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.975 -0.766 -10.730 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.613 0.421 -9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.647 0.776 -11.311 1.00 0.00 H new ATOM 590 N CYS A 34 3.751 -2.434 -12.043 1.00 0.00 N ATOM 591 CA CYS A 34 4.099 -3.119 -13.255 1.00 0.00 C ATOM 592 C CYS A 34 2.874 -3.832 -13.834 1.00 0.00 C ATOM 593 O CYS A 34 2.906 -4.346 -14.959 1.00 0.00 O ATOM 594 CB CYS A 34 5.233 -4.117 -12.944 1.00 0.00 C ATOM 595 SG CYS A 34 6.013 -4.904 -14.374 1.00 0.00 S ATOM 0 H CYS A 34 3.905 -2.985 -11.199 1.00 0.00 H new ATOM 0 HA CYS A 34 4.444 -2.406 -14.004 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.004 -3.595 -12.377 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.835 -4.898 -12.297 1.00 0.00 H new ATOM 0 HG CYS A 34 7.053 -4.213 -14.736 1.00 0.00 H new ATOM 601 N CYS A 35 1.803 -3.854 -13.083 1.00 0.00 N ATOM 602 CA CYS A 35 0.607 -4.518 -13.506 1.00 0.00 C ATOM 603 C CYS A 35 -0.613 -3.753 -13.021 1.00 0.00 C ATOM 604 O CYS A 35 -0.665 -3.339 -11.879 1.00 0.00 O ATOM 605 CB CYS A 35 0.593 -5.956 -12.954 1.00 0.00 C ATOM 606 SG CYS A 35 -0.817 -6.963 -13.473 1.00 0.00 S ATOM 0 H CYS A 35 1.740 -3.413 -12.166 1.00 0.00 H new ATOM 0 HA CYS A 35 0.581 -4.556 -14.595 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.511 -6.456 -13.263 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.606 -5.911 -11.865 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.719 -8.149 -12.950 1.00 0.00 H new ATOM 612 N ASP A 36 -1.540 -3.498 -13.911 1.00 0.00 N ATOM 613 CA ASP A 36 -2.816 -2.925 -13.537 1.00 0.00 C ATOM 614 C ASP A 36 -3.673 -4.023 -12.926 1.00 0.00 C ATOM 615 O ASP A 36 -4.225 -4.899 -13.614 1.00 0.00 O ATOM 616 CB ASP A 36 -3.535 -2.203 -14.725 1.00 0.00 C ATOM 617 CG ASP A 36 -3.920 -3.098 -15.901 1.00 0.00 C ATOM 618 OD1 ASP A 36 -3.049 -3.423 -16.728 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.108 -3.465 -16.033 1.00 0.00 O ATOM 0 H ASP A 36 -1.436 -3.679 -14.909 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.647 -2.140 -12.800 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.437 -1.725 -14.344 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.884 -1.409 -15.092 1.00 0.00 H new ATOM 624 N VAL A 37 -3.699 -4.031 -11.640 1.00 0.00 N ATOM 625 CA VAL A 37 -4.399 -5.047 -10.891 1.00 0.00 C ATOM 626 C VAL A 37 -5.579 -4.413 -10.144 1.00 0.00 C ATOM 627 O VAL A 37 -5.628 -3.189 -9.969 1.00 0.00 O ATOM 628 CB VAL A 37 -3.431 -5.766 -9.912 1.00 0.00 C ATOM 629 CG1 VAL A 37 -3.016 -4.853 -8.804 1.00 0.00 C ATOM 630 CG2 VAL A 37 -4.003 -7.061 -9.370 1.00 0.00 C ATOM 0 H VAL A 37 -3.235 -3.331 -11.061 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.788 -5.798 -11.578 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.545 -6.035 -10.487 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.339 -5.380 -8.132 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.509 -3.982 -9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.897 -4.529 -8.250 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.284 -7.520 -8.692 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.928 -6.853 -8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.209 -7.742 -10.196 1.00 0.00 H new ATOM 640 N LYS A 38 -6.508 -5.220 -9.695 1.00 0.00 N ATOM 641 CA LYS A 38 -7.672 -4.721 -8.995 1.00 0.00 C ATOM 642 C LYS A 38 -7.813 -5.382 -7.620 1.00 0.00 C ATOM 643 O LYS A 38 -8.897 -5.414 -7.047 1.00 0.00 O ATOM 644 CB LYS A 38 -8.960 -4.914 -9.849 1.00 0.00 C ATOM 645 CG LYS A 38 -9.445 -6.360 -10.095 1.00 0.00 C ATOM 646 CD LYS A 38 -8.484 -7.205 -10.915 1.00 0.00 C ATOM 647 CE LYS A 38 -9.088 -8.552 -11.286 1.00 0.00 C ATOM 648 NZ LYS A 38 -10.179 -8.428 -12.274 1.00 0.00 N ATOM 0 H LYS A 38 -6.482 -6.234 -9.802 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.536 -3.651 -8.835 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.769 -4.366 -9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.793 -4.446 -10.819 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.609 -6.846 -9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.408 -6.327 -10.604 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.211 -6.667 -11.823 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.565 -7.362 -10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.308 -9.198 -11.689 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.469 -9.036 -10.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.408 -9.367 -12.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.021 -8.028 -11.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.877 -7.802 -13.048 1.00 0.00 H new ATOM 662 N GLY A 39 -6.699 -5.844 -7.065 1.00 0.00 N ATOM 663 CA GLY A 39 -6.760 -6.532 -5.789 1.00 0.00 C ATOM 664 C GLY A 39 -6.714 -8.023 -5.975 1.00 0.00 C ATOM 665 O GLY A 39 -7.660 -8.727 -5.628 1.00 0.00 O ATOM 0 H GLY A 39 -5.766 -5.757 -7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.927 -6.215 -5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.676 -6.256 -5.267 1.00 0.00 H new ATOM 669 N GLY A 40 -5.635 -8.487 -6.569 1.00 0.00 N ATOM 670 CA GLY A 40 -5.479 -9.890 -6.901 1.00 0.00 C ATOM 671 C GLY A 40 -5.210 -10.755 -5.692 1.00 0.00 C ATOM 672 O GLY A 40 -4.048 -10.941 -5.305 1.00 0.00 O ATOM 0 H GLY A 40 -4.841 -7.904 -6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.382 -10.242 -7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.659 -10.001 -7.610 1.00 0.00 H new ATOM 676 N LYS A 41 -6.290 -11.274 -5.114 1.00 0.00 N ATOM 677 CA LYS A 41 -6.277 -12.133 -3.930 1.00 0.00 C ATOM 678 C LYS A 41 -5.692 -11.370 -2.744 1.00 0.00 C ATOM 679 O LYS A 41 -4.543 -11.597 -2.327 1.00 0.00 O ATOM 680 CB LYS A 41 -5.549 -13.474 -4.195 1.00 0.00 C ATOM 681 CG LYS A 41 -5.633 -14.486 -3.058 1.00 0.00 C ATOM 682 CD LYS A 41 -4.894 -15.765 -3.416 1.00 0.00 C ATOM 683 CE LYS A 41 -4.995 -16.797 -2.309 1.00 0.00 C ATOM 684 NZ LYS A 41 -4.284 -18.043 -2.659 1.00 0.00 N ATOM 0 H LYS A 41 -7.231 -11.103 -5.468 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.304 -12.402 -3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.966 -13.925 -5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.499 -13.266 -4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.207 -14.057 -2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.677 -14.712 -2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.305 -16.178 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.845 -15.538 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.579 -16.386 -1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.044 -17.019 -2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.375 -18.725 -1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.698 -18.448 -3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.278 -17.835 -2.822 1.00 0.00 H new ATOM 698 N ASN A 42 -6.492 -10.424 -2.254 1.00 0.00 N ATOM 699 CA ASN A 42 -6.108 -9.492 -1.194 1.00 0.00 C ATOM 700 C ASN A 42 -4.899 -8.703 -1.609 1.00 0.00 C ATOM 701 O ASN A 42 -3.750 -9.051 -1.266 1.00 0.00 O ATOM 702 CB ASN A 42 -5.886 -10.149 0.188 1.00 0.00 C ATOM 703 CG ASN A 42 -7.162 -10.636 0.840 1.00 0.00 C ATOM 704 OD1 ASN A 42 -7.577 -11.792 0.666 1.00 0.00 O ATOM 705 ND2 ASN A 42 -7.802 -9.778 1.609 1.00 0.00 N ATOM 0 H ASN A 42 -7.445 -10.281 -2.589 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.960 -8.825 -1.061 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.202 -10.990 0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.402 -9.430 0.849 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.662 -10.058 2.080 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.437 -8.834 1.733 1.00 0.00 H new ATOM 712 N GLU A 43 -5.131 -7.692 -2.406 1.00 0.00 N ATOM 713 CA GLU A 43 -4.064 -6.896 -2.883 1.00 0.00 C ATOM 714 C GLU A 43 -4.505 -5.439 -3.010 1.00 0.00 C ATOM 715 O GLU A 43 -5.633 -5.081 -2.652 1.00 0.00 O ATOM 716 CB GLU A 43 -3.572 -7.476 -4.195 1.00 0.00 C ATOM 717 CG GLU A 43 -2.181 -7.055 -4.595 1.00 0.00 C ATOM 718 CD GLU A 43 -1.563 -8.070 -5.467 1.00 0.00 C ATOM 719 OE1 GLU A 43 -0.952 -9.009 -4.921 1.00 0.00 O ATOM 720 OE2 GLU A 43 -1.706 -8.005 -6.684 1.00 0.00 O ATOM 0 H GLU A 43 -6.056 -7.412 -2.731 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.234 -6.906 -2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.601 -8.564 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.265 -7.187 -4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.220 -6.097 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.569 -6.911 -3.705 1.00 0.00 H new ATOM 727 N LEU A 44 -3.633 -4.623 -3.518 1.00 0.00 N ATOM 728 CA LEU A 44 -3.878 -3.223 -3.681 1.00 0.00 C ATOM 729 C LEU A 44 -4.340 -3.020 -5.109 1.00 0.00 C ATOM 730 O LEU A 44 -3.987 -3.793 -5.996 1.00 0.00 O ATOM 731 CB LEU A 44 -2.528 -2.509 -3.487 1.00 0.00 C ATOM 732 CG LEU A 44 -2.510 -1.046 -3.007 1.00 0.00 C ATOM 733 CD1 LEU A 44 -1.107 -0.612 -2.869 1.00 0.00 C ATOM 734 CD2 LEU A 44 -3.191 -0.105 -3.941 1.00 0.00 C ATOM 0 H LEU A 44 -2.711 -4.919 -3.838 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.620 -2.843 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.948 -3.095 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.997 -2.548 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.050 -1.019 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.078 0.423 -2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.600 -1.247 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.605 -0.692 -3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.140 0.907 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.697 -0.135 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.235 -0.398 -4.055 1.00 0.00 H new ATOM 746 N SER A 45 -5.154 -2.045 -5.318 1.00 0.00 N ATOM 747 CA SER A 45 -5.597 -1.741 -6.633 1.00 0.00 C ATOM 748 C SER A 45 -4.774 -0.593 -7.210 1.00 0.00 C ATOM 749 O SER A 45 -4.809 0.544 -6.708 1.00 0.00 O ATOM 750 CB SER A 45 -7.088 -1.441 -6.657 1.00 0.00 C ATOM 751 OG SER A 45 -7.825 -2.511 -6.068 1.00 0.00 O ATOM 0 H SER A 45 -5.529 -1.440 -4.588 1.00 0.00 H new ATOM 0 HA SER A 45 -5.444 -2.616 -7.265 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.287 -0.515 -6.117 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.417 -1.288 -7.685 1.00 0.00 H new ATOM 0 HG SER A 45 -8.782 -2.300 -6.091 1.00 0.00 H new ATOM 757 N PHE A 46 -4.043 -0.893 -8.241 1.00 0.00 N ATOM 758 CA PHE A 46 -3.174 0.054 -8.878 1.00 0.00 C ATOM 759 C PHE A 46 -3.147 -0.179 -10.358 1.00 0.00 C ATOM 760 O PHE A 46 -3.516 -1.254 -10.836 1.00 0.00 O ATOM 761 CB PHE A 46 -1.757 0.036 -8.266 1.00 0.00 C ATOM 762 CG PHE A 46 -1.151 -1.328 -8.086 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.453 -1.931 -9.104 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.266 -1.992 -6.882 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.122 -3.169 -8.936 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.695 -3.229 -6.708 1.00 0.00 C ATOM 767 CZ PHE A 46 0.003 -3.817 -7.740 1.00 0.00 C ATOM 0 H PHE A 46 -4.032 -1.818 -8.671 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.573 1.053 -8.700 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.097 0.627 -8.901 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.792 0.531 -7.295 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.354 -1.424 -10.053 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.810 -1.535 -6.069 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.666 -3.628 -9.748 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.793 -3.741 -5.762 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.455 -4.788 -7.603 1.00 0.00 H new ATOM 777 N LYS A 47 -2.711 0.809 -11.081 1.00 0.00 N ATOM 778 CA LYS A 47 -2.695 0.756 -12.512 1.00 0.00 C ATOM 779 C LYS A 47 -1.268 0.791 -12.921 1.00 0.00 C ATOM 780 O LYS A 47 -0.433 1.289 -12.166 1.00 0.00 O ATOM 781 CB LYS A 47 -3.390 1.997 -13.095 1.00 0.00 C ATOM 782 CG LYS A 47 -4.774 2.308 -12.533 1.00 0.00 C ATOM 783 CD LYS A 47 -5.922 1.516 -13.164 1.00 0.00 C ATOM 784 CE LYS A 47 -5.909 0.034 -12.838 1.00 0.00 C ATOM 785 NZ LYS A 47 -7.088 -0.635 -13.411 1.00 0.00 N ATOM 0 H LYS A 47 -2.354 1.681 -10.691 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.208 -0.138 -12.867 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.748 2.862 -12.928 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.477 1.868 -14.174 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.766 2.115 -11.460 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.972 3.372 -12.664 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.868 1.942 -12.830 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.881 1.639 -14.246 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.000 -0.422 -13.230 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.895 -0.106 -11.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.060 -1.648 -13.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.953 -0.212 -13.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.085 -0.518 -14.444 1.00 0.00 H new ATOM 799 N GLN A 48 -0.986 0.265 -14.063 1.00 0.00 N ATOM 800 CA GLN A 48 0.368 0.293 -14.613 1.00 0.00 C ATOM 801 C GLN A 48 0.917 1.732 -14.647 1.00 0.00 C ATOM 802 O GLN A 48 0.260 2.653 -15.143 1.00 0.00 O ATOM 803 CB GLN A 48 0.408 -0.316 -16.015 1.00 0.00 C ATOM 804 CG GLN A 48 0.105 -1.798 -16.064 1.00 0.00 C ATOM 805 CD GLN A 48 0.118 -2.369 -17.470 1.00 0.00 C ATOM 806 OE1 GLN A 48 -0.297 -1.593 -18.438 1.00 0.00 O flip ATOM 807 NE2 GLN A 48 0.473 -3.531 -17.677 1.00 0.00 N flip ATOM 0 H GLN A 48 -1.671 -0.201 -14.658 1.00 0.00 H new ATOM 0 HA GLN A 48 1.000 -0.308 -13.959 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.308 0.210 -16.646 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.396 -0.146 -16.443 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.836 -2.331 -15.456 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.873 -1.977 -15.616 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.792 -4.113 -16.902 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.448 -3.911 -18.623 1.00 0.00 H new ATOM 816 N GLY A 49 2.079 1.915 -14.056 1.00 0.00 N ATOM 817 CA GLY A 49 2.733 3.213 -14.042 1.00 0.00 C ATOM 818 C GLY A 49 2.149 4.205 -13.036 1.00 0.00 C ATOM 819 O GLY A 49 2.328 5.406 -13.183 1.00 0.00 O ATOM 0 H GLY A 49 2.595 1.178 -13.575 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.791 3.071 -13.821 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.672 3.648 -15.040 1.00 0.00 H new ATOM 823 N GLU A 50 1.447 3.716 -12.025 1.00 0.00 N ATOM 824 CA GLU A 50 0.884 4.608 -10.992 1.00 0.00 C ATOM 825 C GLU A 50 1.925 5.124 -10.035 1.00 0.00 C ATOM 826 O GLU A 50 1.804 6.240 -9.527 1.00 0.00 O ATOM 827 CB GLU A 50 -0.232 3.936 -10.213 1.00 0.00 C ATOM 828 CG GLU A 50 -1.551 3.953 -10.921 1.00 0.00 C ATOM 829 CD GLU A 50 -2.026 5.351 -11.162 1.00 0.00 C ATOM 830 OE1 GLU A 50 -2.497 5.983 -10.216 1.00 0.00 O ATOM 831 OE2 GLU A 50 -1.916 5.855 -12.296 1.00 0.00 O ATOM 0 H GLU A 50 1.249 2.725 -11.888 1.00 0.00 H new ATOM 0 HA GLU A 50 0.475 5.460 -11.536 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.049 2.903 -10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.340 4.432 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.461 3.429 -11.873 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.290 3.414 -10.329 1.00 0.00 H new ATOM 838 N GLN A 51 2.936 4.312 -9.832 1.00 0.00 N ATOM 839 CA GLN A 51 4.027 4.559 -8.881 1.00 0.00 C ATOM 840 C GLN A 51 3.523 4.303 -7.472 1.00 0.00 C ATOM 841 O GLN A 51 2.616 4.972 -6.975 1.00 0.00 O ATOM 842 CB GLN A 51 4.683 5.966 -9.064 1.00 0.00 C ATOM 843 CG GLN A 51 5.947 6.231 -8.231 1.00 0.00 C ATOM 844 CD GLN A 51 5.730 7.037 -6.943 1.00 0.00 C ATOM 845 OE1 GLN A 51 4.577 6.932 -6.327 1.00 0.00 O flip ATOM 846 NE2 GLN A 51 6.630 7.769 -6.520 1.00 0.00 N flip ATOM 0 H GLN A 51 3.037 3.430 -10.334 1.00 0.00 H new ATOM 0 HA GLN A 51 4.839 3.861 -9.083 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.932 6.095 -10.117 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.942 6.726 -8.816 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.396 5.273 -7.969 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.668 6.761 -8.854 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.516 7.830 -7.021 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.487 8.313 -5.669 1.00 0.00 H new ATOM 855 N ILE A 52 4.112 3.346 -6.860 1.00 0.00 N ATOM 856 CA ILE A 52 3.723 2.858 -5.570 1.00 0.00 C ATOM 857 C ILE A 52 4.891 3.084 -4.646 1.00 0.00 C ATOM 858 O ILE A 52 6.005 3.181 -5.108 1.00 0.00 O ATOM 859 CB ILE A 52 3.452 1.323 -5.673 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.506 1.036 -6.848 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.908 0.737 -4.372 1.00 0.00 C ATOM 862 CD1 ILE A 52 2.027 -0.384 -6.924 1.00 0.00 C ATOM 0 H ILE A 52 4.914 2.853 -7.252 1.00 0.00 H new ATOM 0 HA ILE A 52 2.827 3.363 -5.208 1.00 0.00 H new ATOM 0 HB ILE A 52 4.407 0.830 -5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.641 1.695 -6.772 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.016 1.285 -7.779 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.737 -0.332 -4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.630 0.897 -3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.968 1.227 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.364 -0.499 -7.782 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.882 -1.051 -7.034 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.486 -0.635 -6.012 1.00 0.00 H new ATOM 874 N GLU A 53 4.675 3.206 -3.395 1.00 0.00 N ATOM 875 CA GLU A 53 5.787 3.305 -2.496 1.00 0.00 C ATOM 876 C GLU A 53 5.841 2.060 -1.652 1.00 0.00 C ATOM 877 O GLU A 53 4.799 1.540 -1.236 1.00 0.00 O ATOM 878 CB GLU A 53 5.707 4.528 -1.620 1.00 0.00 C ATOM 879 CG GLU A 53 5.516 5.828 -2.375 1.00 0.00 C ATOM 880 CD GLU A 53 5.418 7.019 -1.463 1.00 0.00 C ATOM 881 OE1 GLU A 53 4.325 7.270 -0.895 1.00 0.00 O ATOM 882 OE2 GLU A 53 6.405 7.742 -1.305 1.00 0.00 O ATOM 0 H GLU A 53 3.753 3.241 -2.959 1.00 0.00 H new ATOM 0 HA GLU A 53 6.697 3.402 -3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.881 4.404 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.620 4.596 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.350 5.970 -3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.611 5.763 -2.980 1.00 0.00 H new ATOM 889 N ILE A 54 7.026 1.557 -1.428 1.00 0.00 N ATOM 890 CA ILE A 54 7.194 0.365 -0.636 1.00 0.00 C ATOM 891 C ILE A 54 7.488 0.762 0.807 1.00 0.00 C ATOM 892 O ILE A 54 8.367 1.595 1.070 1.00 0.00 O ATOM 893 CB ILE A 54 8.325 -0.577 -1.207 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.462 -1.856 -0.403 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.658 0.108 -1.283 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.292 -2.776 -0.520 1.00 0.00 C ATOM 0 H ILE A 54 7.894 1.956 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 54 6.268 -0.209 -0.677 1.00 0.00 H new ATOM 0 HB ILE A 54 8.009 -0.830 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.359 -2.383 -0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.606 -1.599 0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.400 -0.583 -1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.584 0.977 -1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 54 9.960 0.428 -0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.468 -3.666 0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.394 -2.269 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.159 -3.065 -1.563 1.00 0.00 H new ATOM 908 N ILE A 55 6.723 0.230 1.719 1.00 0.00 N ATOM 909 CA ILE A 55 6.917 0.508 3.122 1.00 0.00 C ATOM 910 C ILE A 55 7.519 -0.672 3.855 1.00 0.00 C ATOM 911 O ILE A 55 8.484 -0.516 4.577 1.00 0.00 O ATOM 912 CB ILE A 55 5.650 1.049 3.887 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.333 0.356 3.461 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.537 2.564 3.772 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.750 0.849 2.141 1.00 0.00 C ATOM 0 H ILE A 55 5.951 -0.405 1.517 1.00 0.00 H new ATOM 0 HA ILE A 55 7.628 1.334 3.125 1.00 0.00 H new ATOM 0 HB ILE A 55 5.802 0.794 4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.511 -0.717 3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.592 0.501 4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.653 2.905 4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.425 3.029 4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.453 2.844 2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.829 0.307 1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.535 1.915 2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.469 0.678 1.339 1.00 0.00 H new ATOM 927 N ARG A 56 6.991 -1.862 3.654 1.00 0.00 N ATOM 928 CA ARG A 56 7.553 -2.993 4.344 1.00 0.00 C ATOM 929 C ARG A 56 7.829 -4.135 3.387 1.00 0.00 C ATOM 930 O ARG A 56 6.996 -4.468 2.533 1.00 0.00 O ATOM 931 CB ARG A 56 6.695 -3.438 5.542 1.00 0.00 C ATOM 932 CG ARG A 56 7.362 -4.514 6.381 1.00 0.00 C ATOM 933 CD ARG A 56 6.722 -4.639 7.739 1.00 0.00 C ATOM 934 NE ARG A 56 7.229 -5.772 8.517 1.00 0.00 N ATOM 935 CZ ARG A 56 7.510 -5.731 9.829 1.00 0.00 C ATOM 936 NH1 ARG A 56 7.539 -4.574 10.476 1.00 0.00 N ATOM 937 NH2 ARG A 56 7.769 -6.844 10.483 1.00 0.00 N ATOM 0 H ARG A 56 6.202 -2.063 3.040 1.00 0.00 H new ATOM 0 HA ARG A 56 8.509 -2.673 4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.483 -2.574 6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.737 -3.810 5.178 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.302 -5.470 5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.420 -4.281 6.498 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.891 -3.719 8.298 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.644 -4.745 7.617 1.00 0.00 H new ATOM 0 HE ARG A 56 7.379 -6.654 8.027 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.347 -3.706 9.977 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.753 -4.552 11.473 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.756 -7.738 9.993 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.982 -6.812 11.480 1.00 0.00 H new ATOM 951 N ILE A 57 9.006 -4.694 3.520 1.00 0.00 N ATOM 952 CA ILE A 57 9.491 -5.781 2.691 1.00 0.00 C ATOM 953 C ILE A 57 9.928 -6.975 3.525 1.00 0.00 C ATOM 954 O ILE A 57 9.766 -8.123 3.106 1.00 0.00 O ATOM 955 CB ILE A 57 10.675 -5.374 1.719 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.734 -4.459 2.382 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.169 -4.750 0.443 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.279 -3.017 2.571 1.00 0.00 C ATOM 0 H ILE A 57 9.678 -4.399 4.229 1.00 0.00 H new ATOM 0 HA ILE A 57 8.636 -6.051 2.072 1.00 0.00 H new ATOM 0 HB ILE A 57 11.175 -6.311 1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 57 12.001 -4.875 3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.638 -4.467 1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.014 -4.487 -0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.528 -5.460 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.598 -3.852 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.077 -2.442 3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.040 -2.581 1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.394 -2.995 3.206 1.00 0.00 H new ATOM 970 N THR A 58 10.467 -6.731 4.696 1.00 0.00 N ATOM 971 CA THR A 58 10.954 -7.816 5.505 1.00 0.00 C ATOM 972 C THR A 58 9.979 -8.193 6.581 1.00 0.00 C ATOM 973 O THR A 58 9.213 -7.337 7.074 1.00 0.00 O ATOM 974 CB THR A 58 12.353 -7.545 6.077 1.00 0.00 C ATOM 975 OG1 THR A 58 12.410 -6.236 6.663 1.00 0.00 O ATOM 976 CG2 THR A 58 13.399 -7.678 4.990 1.00 0.00 C ATOM 0 H THR A 58 10.577 -5.802 5.103 1.00 0.00 H new ATOM 0 HA THR A 58 11.052 -8.674 4.839 1.00 0.00 H new ATOM 0 HB THR A 58 12.559 -8.282 6.853 1.00 0.00 H new ATOM 0 HG1 THR A 58 13.307 -6.078 7.025 1.00 0.00 H new ATOM 0 HG21 THR A 58 14.386 -7.483 5.409 1.00 0.00 H new ATOM 0 HG22 THR A 58 13.371 -8.688 4.580 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.193 -6.959 4.197 1.00 0.00 H new ATOM 984 N ASP A 59 10.012 -9.464 6.939 1.00 0.00 N ATOM 985 CA ASP A 59 9.087 -10.074 7.873 1.00 0.00 C ATOM 986 C ASP A 59 7.694 -9.979 7.291 1.00 0.00 C ATOM 987 O ASP A 59 6.873 -9.147 7.687 1.00 0.00 O ATOM 988 CB ASP A 59 9.181 -9.481 9.301 1.00 0.00 C ATOM 989 CG ASP A 59 8.296 -10.190 10.313 1.00 0.00 C ATOM 990 OD1 ASP A 59 8.684 -11.275 10.812 1.00 0.00 O ATOM 991 OD2 ASP A 59 7.217 -9.671 10.665 1.00 0.00 O ATOM 0 H ASP A 59 10.705 -10.119 6.576 1.00 0.00 H new ATOM 0 HA ASP A 59 9.355 -11.122 8.003 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.216 -9.530 9.639 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.907 -8.427 9.266 1.00 0.00 H new ATOM 996 N ASN A 60 7.511 -10.742 6.240 1.00 0.00 N ATOM 997 CA ASN A 60 6.264 -10.800 5.503 1.00 0.00 C ATOM 998 C ASN A 60 5.609 -12.175 5.670 1.00 0.00 C ATOM 999 O ASN A 60 6.298 -13.190 5.695 1.00 0.00 O ATOM 1000 CB ASN A 60 6.479 -10.466 3.999 1.00 0.00 C ATOM 1001 CG ASN A 60 7.545 -11.318 3.306 1.00 0.00 C ATOM 1002 OD1 ASN A 60 7.277 -12.413 2.843 1.00 0.00 O ATOM 1003 ND2 ASN A 60 8.742 -10.794 3.180 1.00 0.00 N ATOM 0 H ASN A 60 8.236 -11.353 5.863 1.00 0.00 H new ATOM 0 HA ASN A 60 5.593 -10.045 5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.533 -10.592 3.473 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.756 -9.416 3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.473 -11.305 2.685 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.941 -9.876 3.577 1.00 0.00 H new ATOM 1010 N PRO A 61 4.277 -12.223 5.836 1.00 0.00 N ATOM 1011 CA PRO A 61 3.541 -13.481 6.024 1.00 0.00 C ATOM 1012 C PRO A 61 3.400 -14.332 4.746 1.00 0.00 C ATOM 1013 O PRO A 61 3.851 -15.474 4.703 1.00 0.00 O ATOM 1014 CB PRO A 61 2.153 -13.026 6.517 1.00 0.00 C ATOM 1015 CG PRO A 61 2.302 -11.575 6.828 1.00 0.00 C ATOM 1016 CD PRO A 61 3.386 -11.068 5.928 1.00 0.00 C ATOM 0 HA PRO A 61 4.075 -14.132 6.716 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.392 -13.189 5.754 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.845 -13.588 7.399 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.368 -11.041 6.653 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.563 -11.426 7.876 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.000 -10.773 4.952 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.890 -10.198 6.348 1.00 0.00 H new ATOM 1024 N GLU A 62 2.793 -13.763 3.718 1.00 0.00 N ATOM 1025 CA GLU A 62 2.496 -14.491 2.476 1.00 0.00 C ATOM 1026 C GLU A 62 3.750 -14.649 1.619 1.00 0.00 C ATOM 1027 O GLU A 62 4.035 -15.723 1.079 1.00 0.00 O ATOM 1028 CB GLU A 62 1.429 -13.721 1.673 1.00 0.00 C ATOM 1029 CG GLU A 62 0.967 -14.395 0.388 1.00 0.00 C ATOM 1030 CD GLU A 62 0.155 -15.640 0.628 1.00 0.00 C ATOM 1031 OE1 GLU A 62 0.715 -16.666 1.053 1.00 0.00 O ATOM 1032 OE2 GLU A 62 -1.066 -15.622 0.382 1.00 0.00 O ATOM 0 H GLU A 62 2.490 -12.789 3.711 1.00 0.00 H new ATOM 0 HA GLU A 62 2.128 -15.482 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.561 -13.563 2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.826 -12.737 1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.373 -13.688 -0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.839 -14.649 -0.215 1.00 0.00 H new ATOM 1039 N GLY A 63 4.503 -13.598 1.535 1.00 0.00 N ATOM 1040 CA GLY A 63 5.649 -13.578 0.657 1.00 0.00 C ATOM 1041 C GLY A 63 5.520 -12.464 -0.345 1.00 0.00 C ATOM 1042 O GLY A 63 6.185 -12.452 -1.394 1.00 0.00 O ATOM 0 H GLY A 63 4.352 -12.737 2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.560 -13.448 1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.736 -14.533 0.140 1.00 0.00 H new ATOM 1046 N LYS A 64 4.655 -11.540 -0.031 1.00 0.00 N ATOM 1047 CA LYS A 64 4.376 -10.411 -0.839 1.00 0.00 C ATOM 1048 C LYS A 64 4.769 -9.160 -0.051 1.00 0.00 C ATOM 1049 O LYS A 64 4.953 -9.239 1.159 1.00 0.00 O ATOM 1050 CB LYS A 64 2.893 -10.431 -1.261 1.00 0.00 C ATOM 1051 CG LYS A 64 1.861 -10.169 -0.172 1.00 0.00 C ATOM 1052 CD LYS A 64 0.447 -10.603 -0.620 1.00 0.00 C ATOM 1053 CE LYS A 64 0.109 -10.046 -1.999 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.300 -10.235 -2.411 1.00 0.00 N ATOM 0 H LYS A 64 4.110 -11.564 0.831 1.00 0.00 H new ATOM 0 HA LYS A 64 4.954 -10.420 -1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.754 -9.687 -2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.680 -11.404 -1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.139 -10.709 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.855 -9.108 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.387 -11.691 -0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.289 -10.257 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.338 -8.980 -2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.756 -10.520 -2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.434 -9.859 -3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.532 -11.249 -2.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.925 -9.730 -1.751 1.00 0.00 H new ATOM 1068 N TRP A 65 4.922 -8.056 -0.720 1.00 0.00 N ATOM 1069 CA TRP A 65 5.420 -6.816 -0.116 1.00 0.00 C ATOM 1070 C TRP A 65 4.295 -5.897 0.270 1.00 0.00 C ATOM 1071 O TRP A 65 3.158 -6.140 -0.060 1.00 0.00 O ATOM 1072 CB TRP A 65 6.357 -6.093 -1.076 1.00 0.00 C ATOM 1073 CG TRP A 65 7.692 -6.734 -1.235 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.316 -7.559 -0.345 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.592 -6.581 -2.341 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.537 -7.936 -0.831 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.734 -7.351 -2.056 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.539 -5.874 -3.545 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.813 -7.434 -2.927 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 9.611 -5.959 -4.408 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.734 -6.733 -4.098 1.00 0.00 C ATOM 0 H TRP A 65 4.707 -7.971 -1.713 1.00 0.00 H new ATOM 0 HA TRP A 65 5.964 -7.092 0.787 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.879 -6.031 -2.054 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.498 -5.071 -0.725 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.905 -7.869 0.605 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.196 -8.554 -0.358 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.677 -5.274 -3.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.681 -8.030 -2.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.583 -5.417 -5.342 1.00 0.00 H new ATOM 0 HH2 TRP A 65 11.555 -6.778 -4.798 1.00 0.00 H new ATOM 1092 N LEU A 66 4.607 -4.841 0.973 1.00 0.00 N ATOM 1093 CA LEU A 66 3.607 -3.897 1.369 1.00 0.00 C ATOM 1094 C LEU A 66 3.823 -2.592 0.651 1.00 0.00 C ATOM 1095 O LEU A 66 4.759 -1.852 0.962 1.00 0.00 O ATOM 1096 CB LEU A 66 3.624 -3.668 2.880 1.00 0.00 C ATOM 1097 CG LEU A 66 2.521 -2.758 3.408 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.176 -3.360 3.148 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.690 -2.507 4.871 1.00 0.00 C ATOM 0 H LEU A 66 5.552 -4.616 1.283 1.00 0.00 H new ATOM 0 HA LEU A 66 2.632 -4.305 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.547 -4.634 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.589 -3.242 3.157 1.00 0.00 H new ATOM 0 HG LEU A 66 2.592 -1.806 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.400 -2.697 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.039 -3.496 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.107 -4.326 3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.891 -1.855 5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.650 -3.454 5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.653 -2.029 5.049 1.00 0.00 H new ATOM 1111 N GLY A 67 2.984 -2.328 -0.310 1.00 0.00 N ATOM 1112 CA GLY A 67 3.071 -1.112 -1.057 1.00 0.00 C ATOM 1113 C GLY A 67 1.874 -0.245 -0.792 1.00 0.00 C ATOM 1114 O GLY A 67 0.843 -0.744 -0.304 1.00 0.00 O ATOM 0 H GLY A 67 2.225 -2.948 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.982 -0.577 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.136 -1.336 -2.122 1.00 0.00 H new ATOM 1118 N ARG A 68 1.996 1.022 -1.090 1.00 0.00 N ATOM 1119 CA ARG A 68 0.935 1.983 -0.885 1.00 0.00 C ATOM 1120 C ARG A 68 0.850 2.939 -2.060 1.00 0.00 C ATOM 1121 O ARG A 68 1.823 3.165 -2.764 1.00 0.00 O ATOM 1122 CB ARG A 68 1.175 2.764 0.422 1.00 0.00 C ATOM 1123 CG ARG A 68 0.146 3.850 0.757 1.00 0.00 C ATOM 1124 CD ARG A 68 0.656 4.783 1.828 1.00 0.00 C ATOM 1125 NE ARG A 68 1.839 5.521 1.396 1.00 0.00 N ATOM 1126 CZ ARG A 68 2.729 6.081 2.220 1.00 0.00 C ATOM 1127 NH1 ARG A 68 2.626 5.891 3.537 1.00 0.00 N ATOM 1128 NH2 ARG A 68 3.736 6.794 1.723 1.00 0.00 N ATOM 0 H ARG A 68 2.845 1.424 -1.487 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.011 1.447 -0.807 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.203 2.052 1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.159 3.229 0.368 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.089 4.420 -0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.781 3.384 1.090 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.131 5.487 2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.894 4.210 2.724 1.00 0.00 H new ATOM 0 HE ARG A 68 1.998 5.616 0.393 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.869 5.319 3.912 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.304 6.317 4.168 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.828 6.913 0.714 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.416 7.222 2.351 1.00 0.00 H new ATOM 1142 N THR A 69 -0.324 3.459 -2.251 1.00 0.00 N ATOM 1143 CA THR A 69 -0.606 4.472 -3.241 1.00 0.00 C ATOM 1144 C THR A 69 -0.633 5.796 -2.482 1.00 0.00 C ATOM 1145 O THR A 69 -0.928 5.778 -1.293 1.00 0.00 O ATOM 1146 CB THR A 69 -1.990 4.187 -3.836 1.00 0.00 C ATOM 1147 OG1 THR A 69 -2.050 2.802 -4.161 1.00 0.00 O ATOM 1148 CG2 THR A 69 -2.235 4.986 -5.096 1.00 0.00 C ATOM 0 H THR A 69 -1.143 3.186 -1.708 1.00 0.00 H new ATOM 0 HA THR A 69 0.129 4.492 -4.046 1.00 0.00 H new ATOM 0 HB THR A 69 -2.748 4.467 -3.105 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.765 2.650 -4.813 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.226 4.755 -5.486 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.173 6.050 -4.870 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.483 4.729 -5.842 1.00 0.00 H new ATOM 1156 N ALA A 70 -0.364 6.923 -3.142 1.00 0.00 N ATOM 1157 CA ALA A 70 -0.224 8.229 -2.461 1.00 0.00 C ATOM 1158 C ALA A 70 -1.442 8.585 -1.604 1.00 0.00 C ATOM 1159 O ALA A 70 -1.315 9.194 -0.540 1.00 0.00 O ATOM 1160 CB ALA A 70 0.075 9.332 -3.463 1.00 0.00 C ATOM 0 H ALA A 70 -0.237 6.967 -4.153 1.00 0.00 H new ATOM 0 HA ALA A 70 0.621 8.137 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.174 10.283 -2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.005 9.107 -3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.739 9.398 -4.185 1.00 0.00 H new ATOM 1166 N ARG A 71 -2.607 8.166 -2.047 1.00 0.00 N ATOM 1167 CA ARG A 71 -3.834 8.421 -1.310 1.00 0.00 C ATOM 1168 C ARG A 71 -4.042 7.464 -0.118 1.00 0.00 C ATOM 1169 O ARG A 71 -5.007 7.593 0.627 1.00 0.00 O ATOM 1170 CB ARG A 71 -5.054 8.477 -2.261 1.00 0.00 C ATOM 1171 CG ARG A 71 -5.331 7.247 -3.154 1.00 0.00 C ATOM 1172 CD ARG A 71 -5.804 6.017 -2.390 1.00 0.00 C ATOM 1173 NE ARG A 71 -6.997 6.279 -1.575 1.00 0.00 N ATOM 1174 CZ ARG A 71 -8.169 5.635 -1.680 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -8.372 4.721 -2.637 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -9.133 5.924 -0.831 1.00 0.00 N ATOM 0 H ARG A 71 -2.735 7.646 -2.915 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.731 9.407 -0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.942 8.658 -1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.931 9.342 -2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.084 7.512 -3.896 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.421 6.995 -3.699 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.021 5.217 -3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.999 5.663 -1.745 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.929 7.013 -0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.629 4.505 -3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.270 4.241 -2.702 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.982 6.628 -0.108 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.031 5.444 -0.896 1.00 0.00 H new ATOM 1190 N GLY A 72 -3.137 6.525 0.044 1.00 0.00 N ATOM 1191 CA GLY A 72 -3.208 5.584 1.136 1.00 0.00 C ATOM 1192 C GLY A 72 -4.061 4.390 0.819 1.00 0.00 C ATOM 1193 O GLY A 72 -5.279 4.455 0.839 1.00 0.00 O ATOM 0 H GLY A 72 -2.336 6.393 -0.574 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.202 5.250 1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.607 6.086 2.017 1.00 0.00 H new ATOM 1197 N SER A 73 -3.412 3.352 0.412 1.00 0.00 N ATOM 1198 CA SER A 73 -3.979 2.101 0.136 1.00 0.00 C ATOM 1199 C SER A 73 -2.843 1.187 0.333 1.00 0.00 C ATOM 1200 O SER A 73 -1.814 1.362 -0.287 1.00 0.00 O ATOM 1201 CB SER A 73 -4.497 1.986 -1.281 1.00 0.00 C ATOM 1202 OG SER A 73 -5.426 3.019 -1.591 1.00 0.00 O ATOM 0 H SER A 73 -2.404 3.370 0.257 1.00 0.00 H new ATOM 0 HA SER A 73 -4.846 1.898 0.765 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.660 2.029 -1.978 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.975 1.016 -1.415 1.00 0.00 H new ATOM 0 HG SER A 73 -5.737 2.913 -2.514 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.981 0.321 1.182 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.958 -0.610 1.525 1.00 0.00 C ATOM 1210 C TYR A 74 -2.497 -1.953 1.181 1.00 0.00 C ATOM 1211 O TYR A 74 -3.253 -2.523 1.937 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.674 -0.543 3.017 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.910 0.660 3.541 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.562 1.836 3.867 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.457 0.598 3.746 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.878 2.921 4.371 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.151 1.682 4.259 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.480 2.838 4.569 1.00 0.00 C ATOM 1219 OH TYR A 74 1.172 3.931 5.069 1.00 0.00 O ATOM 0 H TYR A 74 -3.842 0.196 1.714 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.029 -0.396 0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.628 -0.587 3.542 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -1.117 -1.439 3.292 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.630 1.905 3.723 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.991 -0.309 3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.406 3.832 4.609 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.218 1.617 4.415 1.00 0.00 H new ATOM 0 HH TYR A 74 2.123 3.707 5.150 1.00 0.00 H new ATOM 1229 N GLY A 75 -2.200 -2.423 0.027 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.822 -3.634 -0.360 1.00 0.00 C ATOM 1231 C GLY A 75 -1.964 -4.785 -0.414 1.00 0.00 C ATOM 1232 O GLY A 75 -2.402 -5.790 -0.854 1.00 0.00 O ATOM 0 H GLY A 75 -1.555 -2.008 -0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.635 -3.842 0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.272 -3.492 -1.343 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.769 -4.672 0.120 1.00 0.00 N ATOM 1237 CA TYR A 76 0.210 -5.769 0.096 1.00 0.00 C ATOM 1238 C TYR A 76 0.329 -6.394 -1.299 1.00 0.00 C ATOM 1239 O TYR A 76 -0.396 -7.275 -1.682 1.00 0.00 O ATOM 1240 CB TYR A 76 0.056 -6.818 1.276 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.245 -6.693 2.048 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -1.398 -5.749 3.066 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -2.341 -7.459 1.708 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -2.606 -5.582 3.685 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -3.544 -7.309 2.338 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.678 -6.364 3.317 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.904 -6.183 3.924 1.00 0.00 O ATOM 0 H TYR A 76 -0.436 -3.827 0.584 1.00 0.00 H new ATOM 0 HA TYR A 76 1.177 -5.313 0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.127 -7.825 0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.890 -6.697 1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.555 -5.145 3.367 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.246 -8.196 0.924 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.719 -4.839 4.460 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.383 -7.932 2.065 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.618 -6.415 3.294 1.00 0.00 H new ATOM 1257 N ILE A 77 1.210 -5.839 -2.035 1.00 0.00 N ATOM 1258 CA ILE A 77 1.500 -6.200 -3.387 1.00 0.00 C ATOM 1259 C ILE A 77 2.166 -7.498 -3.491 1.00 0.00 C ATOM 1260 O ILE A 77 3.058 -7.815 -2.715 1.00 0.00 O ATOM 1261 CB ILE A 77 2.492 -5.230 -4.022 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.542 -4.764 -3.002 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.807 -4.074 -4.674 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.580 -3.849 -3.565 1.00 0.00 C ATOM 0 H ILE A 77 1.791 -5.071 -1.699 1.00 0.00 H new ATOM 0 HA ILE A 77 0.528 -6.201 -3.881 1.00 0.00 H new ATOM 0 HB ILE A 77 3.014 -5.772 -4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.035 -4.258 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.036 -5.639 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.552 -3.410 -5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.141 -4.439 -5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.227 -3.528 -3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.282 -3.568 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.117 -4.357 -4.366 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.100 -2.954 -3.960 1.00 0.00 H new ATOM 1276 N LYS A 78 1.797 -8.232 -4.456 1.00 0.00 N ATOM 1277 CA LYS A 78 2.580 -9.310 -4.784 1.00 0.00 C ATOM 1278 C LYS A 78 3.703 -8.704 -5.604 1.00 0.00 C ATOM 1279 O LYS A 78 3.488 -7.981 -6.560 1.00 0.00 O ATOM 1280 CB LYS A 78 1.833 -10.430 -5.518 1.00 0.00 C ATOM 1281 CG LYS A 78 1.300 -10.047 -6.851 1.00 0.00 C ATOM 1282 CD LYS A 78 0.683 -11.240 -7.591 1.00 0.00 C ATOM 1283 CE LYS A 78 -0.460 -11.911 -6.810 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.583 -10.992 -6.556 1.00 0.00 N ATOM 0 H LYS A 78 0.960 -8.096 -5.022 1.00 0.00 H new ATOM 0 HA LYS A 78 2.941 -9.828 -3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.506 -11.278 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.006 -10.767 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.547 -9.268 -6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.103 -9.623 -7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.306 -10.905 -8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.460 -11.978 -7.790 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.820 -12.774 -7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.077 -12.284 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.473 -11.530 -6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.440 -10.513 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.630 -10.283 -7.315 1.00 0.00 H new ATOM 1298 N THR A 79 4.819 -8.877 -5.079 1.00 0.00 N ATOM 1299 CA THR A 79 6.149 -8.446 -5.561 1.00 0.00 C ATOM 1300 C THR A 79 6.314 -8.478 -7.103 1.00 0.00 C ATOM 1301 O THR A 79 6.994 -7.637 -7.676 1.00 0.00 O ATOM 1302 CB THR A 79 7.200 -9.411 -4.952 1.00 0.00 C ATOM 1303 OG1 THR A 79 6.905 -10.760 -5.367 1.00 0.00 O ATOM 1304 CG2 THR A 79 7.141 -9.388 -3.444 1.00 0.00 C ATOM 0 H THR A 79 4.897 -9.377 -4.194 1.00 0.00 H new ATOM 0 HA THR A 79 6.277 -7.408 -5.255 1.00 0.00 H new ATOM 0 HB THR A 79 8.185 -9.092 -5.293 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.568 -11.372 -4.985 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.887 -10.072 -3.040 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.344 -8.378 -3.087 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.149 -9.697 -3.114 1.00 0.00 H new ATOM 1312 N THR A 80 5.669 -9.407 -7.740 1.00 0.00 N ATOM 1313 CA THR A 80 5.722 -9.568 -9.174 1.00 0.00 C ATOM 1314 C THR A 80 4.836 -8.514 -9.922 1.00 0.00 C ATOM 1315 O THR A 80 4.940 -8.348 -11.155 1.00 0.00 O ATOM 1316 CB THR A 80 5.280 -11.010 -9.532 1.00 0.00 C ATOM 1317 OG1 THR A 80 5.324 -11.237 -10.946 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.884 -11.282 -8.983 1.00 0.00 C ATOM 0 H THR A 80 5.076 -10.093 -7.273 1.00 0.00 H new ATOM 0 HA THR A 80 6.747 -9.399 -9.503 1.00 0.00 H new ATOM 0 HB THR A 80 5.982 -11.704 -9.069 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.310 -10.377 -11.416 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.583 -12.298 -9.240 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.891 -11.169 -7.899 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.178 -10.574 -9.417 1.00 0.00 H new ATOM 1326 N ALA A 81 3.987 -7.796 -9.183 1.00 0.00 N ATOM 1327 CA ALA A 81 3.099 -6.818 -9.782 1.00 0.00 C ATOM 1328 C ALA A 81 3.738 -5.451 -9.760 1.00 0.00 C ATOM 1329 O ALA A 81 3.192 -4.477 -10.285 1.00 0.00 O ATOM 1330 CB ALA A 81 1.763 -6.793 -9.053 1.00 0.00 C ATOM 0 H ALA A 81 3.902 -7.879 -8.170 1.00 0.00 H new ATOM 0 HA ALA A 81 2.918 -7.102 -10.819 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.110 -6.054 -9.516 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.297 -7.777 -9.113 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.924 -6.531 -8.007 1.00 0.00 H new ATOM 1336 N VAL A 82 4.899 -5.371 -9.159 1.00 0.00 N ATOM 1337 CA VAL A 82 5.629 -4.134 -9.091 1.00 0.00 C ATOM 1338 C VAL A 82 7.060 -4.340 -9.451 1.00 0.00 C ATOM 1339 O VAL A 82 7.521 -5.459 -9.625 1.00 0.00 O ATOM 1340 CB VAL A 82 5.591 -3.456 -7.695 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.216 -2.927 -7.371 1.00 0.00 C ATOM 1342 CG2 VAL A 82 6.080 -4.410 -6.613 1.00 0.00 C ATOM 0 H VAL A 82 5.361 -6.159 -8.706 1.00 0.00 H new ATOM 0 HA VAL A 82 5.129 -3.478 -9.804 1.00 0.00 H new ATOM 0 HB VAL A 82 6.269 -2.603 -7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.229 -2.460 -6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.924 -2.190 -8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.500 -3.749 -7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.044 -3.911 -5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.441 -5.293 -6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.106 -4.710 -6.829 1.00 0.00 H new ATOM 1352 N GLU A 83 7.721 -3.254 -9.603 1.00 0.00 N ATOM 1353 CA GLU A 83 9.133 -3.197 -9.786 1.00 0.00 C ATOM 1354 C GLU A 83 9.608 -2.095 -8.895 1.00 0.00 C ATOM 1355 O GLU A 83 9.297 -0.934 -9.148 1.00 0.00 O ATOM 1356 CB GLU A 83 9.472 -2.866 -11.232 1.00 0.00 C ATOM 1357 CG GLU A 83 9.071 -3.936 -12.227 1.00 0.00 C ATOM 1358 CD GLU A 83 9.411 -3.552 -13.632 1.00 0.00 C ATOM 1359 OE1 GLU A 83 10.600 -3.459 -13.962 1.00 0.00 O ATOM 1360 OE2 GLU A 83 8.496 -3.292 -14.431 1.00 0.00 O ATOM 0 H GLU A 83 7.278 -2.335 -9.604 1.00 0.00 H new ATOM 0 HA GLU A 83 9.603 -4.152 -9.550 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.981 -1.932 -11.503 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.546 -2.696 -11.312 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.572 -4.871 -11.976 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.999 -4.118 -12.151 1.00 0.00 H new ATOM 1367 N ILE A 84 10.265 -2.425 -7.815 1.00 0.00 N ATOM 1368 CA ILE A 84 10.687 -1.387 -6.916 1.00 0.00 C ATOM 1369 C ILE A 84 11.946 -0.723 -7.394 1.00 0.00 C ATOM 1370 O ILE A 84 12.634 -1.205 -8.303 1.00 0.00 O ATOM 1371 CB ILE A 84 10.887 -1.813 -5.438 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.082 -2.745 -5.271 1.00 0.00 C ATOM 1373 CG2 ILE A 84 9.621 -2.450 -4.883 1.00 0.00 C ATOM 1374 CD1 ILE A 84 12.575 -2.813 -3.849 1.00 0.00 C ATOM 0 H ILE A 84 10.514 -3.376 -7.542 1.00 0.00 H new ATOM 0 HA ILE A 84 9.846 -0.694 -6.927 1.00 0.00 H new ATOM 0 HB ILE A 84 11.099 -0.910 -4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.806 -3.746 -5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 84 12.893 -2.408 -5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.785 -2.741 -3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.801 -1.734 -4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.369 -3.332 -5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 84 13.426 -3.491 -3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.880 -1.819 -3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 84 11.776 -3.178 -3.204 1.00 0.00 H new ATOM 1386 N ASP A 85 12.221 0.390 -6.809 1.00 0.00 N ATOM 1387 CA ASP A 85 13.425 1.119 -7.066 1.00 0.00 C ATOM 1388 C ASP A 85 14.561 0.476 -6.301 1.00 0.00 C ATOM 1389 O ASP A 85 14.627 0.566 -5.081 1.00 0.00 O ATOM 1390 CB ASP A 85 13.237 2.565 -6.642 1.00 0.00 C ATOM 1391 CG ASP A 85 14.419 3.448 -6.888 1.00 0.00 C ATOM 1392 OD1 ASP A 85 14.531 4.020 -7.999 1.00 0.00 O ATOM 1393 OD2 ASP A 85 15.207 3.661 -5.954 1.00 0.00 O ATOM 0 H ASP A 85 11.607 0.832 -6.125 1.00 0.00 H new ATOM 0 HA ASP A 85 13.662 1.099 -8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.377 2.976 -7.172 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.998 2.589 -5.579 1.00 0.00 H new