USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=18 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 Set 1.1: A 18 LYS NZ :NH3+ 146:sc= 0.137 (180deg=0) USER MOD Set 1.2: A 42 ASN : amide:sc= -0.325 K(o=-0.19,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -128:sc= 0.102 (180deg=-2.52!) USER MOD Single : A 22 THR OG1 : rot 8:sc= 0.523 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 29 HIS : no HD1:sc= -0.174 K(o=-0.17,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.16) USER MOD Single : A 34 CYS SG : rot 90:sc= 1.25 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= -0.055 (180deg=-0.278) USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= 0.734 (180deg=-1.17!) 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 : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.257 USER MOD Single : A 60 ASN : amide:sc= -0.751! C(o=-0.75!,f=-4.2!) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= 2.41 (180deg=1.87) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 74 TYR OH : rot 165:sc= 1.02 USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= 1.21 (180deg=1.07) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0169 USER MOD Single : A 80 THR OG1 : rot -22:sc= 0.111 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -6.918 -2.742 8.696 1.00 0.00 N ATOM 245 CA GLU A 14 -6.661 -4.178 8.575 1.00 0.00 C ATOM 246 C GLU A 14 -5.277 -4.472 8.051 1.00 0.00 C ATOM 247 O GLU A 14 -4.789 -5.594 8.178 1.00 0.00 O ATOM 248 CB GLU A 14 -7.681 -4.862 7.679 1.00 0.00 C ATOM 249 CG GLU A 14 -9.097 -4.809 8.184 1.00 0.00 C ATOM 250 CD GLU A 14 -10.012 -5.639 7.337 1.00 0.00 C ATOM 251 OE1 GLU A 14 -10.119 -6.853 7.591 1.00 0.00 O ATOM 252 OE2 GLU A 14 -10.637 -5.106 6.398 1.00 0.00 O ATOM 0 HA GLU A 14 -6.745 -4.576 9.586 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.644 -4.401 6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.393 -5.906 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.131 -5.164 9.214 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.444 -3.776 8.191 1.00 0.00 H new ATOM 259 N ILE A 15 -4.623 -3.467 7.500 1.00 0.00 N ATOM 260 CA ILE A 15 -3.312 -3.647 6.925 1.00 0.00 C ATOM 261 C ILE A 15 -2.325 -3.995 8.031 1.00 0.00 C ATOM 262 O ILE A 15 -1.409 -4.799 7.830 1.00 0.00 O ATOM 263 CB ILE A 15 -2.862 -2.397 6.072 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.397 -1.197 6.912 1.00 0.00 C ATOM 265 CG2 ILE A 15 -3.998 -1.959 5.171 1.00 0.00 C ATOM 266 CD1 ILE A 15 -0.902 -1.159 7.185 1.00 0.00 C ATOM 0 H ILE A 15 -4.984 -2.515 7.441 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.342 -4.477 6.219 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.999 -2.725 5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.683 -0.278 6.400 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.927 -1.209 7.864 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.684 -1.096 4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.267 -2.776 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.862 -1.689 5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.664 -0.280 7.783 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.608 -2.058 7.727 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.361 -1.112 6.240 1.00 0.00 H new ATOM 278 N LYS A 16 -2.605 -3.457 9.235 1.00 0.00 N ATOM 279 CA LYS A 16 -1.783 -3.698 10.405 1.00 0.00 C ATOM 280 C LYS A 16 -1.898 -5.131 10.884 1.00 0.00 C ATOM 281 O LYS A 16 -1.006 -5.644 11.563 1.00 0.00 O ATOM 282 CB LYS A 16 -2.115 -2.757 11.585 1.00 0.00 C ATOM 283 CG LYS A 16 -1.590 -1.319 11.512 1.00 0.00 C ATOM 284 CD LYS A 16 -2.355 -0.428 10.564 1.00 0.00 C ATOM 285 CE LYS A 16 -1.828 0.997 10.661 1.00 0.00 C ATOM 286 NZ LYS A 16 -2.619 1.952 9.865 1.00 0.00 N ATOM 0 H LYS A 16 -3.405 -2.849 9.408 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.762 -3.495 10.080 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.199 -2.714 11.687 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.727 -3.211 12.497 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.622 -0.881 12.510 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.544 -1.341 11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.253 -0.795 9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.418 -0.450 10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.831 1.311 11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.792 1.020 10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.217 2.906 9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.596 1.672 8.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.603 1.953 10.202 1.00 0.00 H new ATOM 300 N LYS A 17 -2.984 -5.766 10.542 1.00 0.00 N ATOM 301 CA LYS A 17 -3.253 -7.100 11.004 1.00 0.00 C ATOM 302 C LYS A 17 -2.938 -8.134 9.924 1.00 0.00 C ATOM 303 O LYS A 17 -2.543 -9.257 10.231 1.00 0.00 O ATOM 304 CB LYS A 17 -4.726 -7.196 11.435 1.00 0.00 C ATOM 305 CG LYS A 17 -5.138 -8.536 12.016 1.00 0.00 C ATOM 306 CD LYS A 17 -6.601 -8.534 12.409 1.00 0.00 C ATOM 307 CE LYS A 17 -7.015 -9.871 12.993 1.00 0.00 C ATOM 308 NZ LYS A 17 -8.433 -9.878 13.404 1.00 0.00 N ATOM 0 H LYS A 17 -3.706 -5.375 9.937 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.609 -7.316 11.857 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.924 -6.420 12.174 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.356 -6.982 10.572 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.956 -9.324 11.285 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.524 -8.762 12.888 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.783 -7.744 13.138 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.214 -8.310 11.536 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.847 -10.656 12.256 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.387 -10.101 13.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.676 -10.809 13.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.589 -9.146 14.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.035 -9.684 12.578 1.00 0.00 H new ATOM 322 N LYS A 18 -3.080 -7.744 8.669 1.00 0.00 N ATOM 323 CA LYS A 18 -2.911 -8.671 7.565 1.00 0.00 C ATOM 324 C LYS A 18 -1.434 -9.021 7.359 1.00 0.00 C ATOM 325 O LYS A 18 -1.038 -10.186 7.468 1.00 0.00 O ATOM 326 CB LYS A 18 -3.455 -8.074 6.283 1.00 0.00 C ATOM 327 CG LYS A 18 -3.790 -9.109 5.222 1.00 0.00 C ATOM 328 CD LYS A 18 -5.222 -9.608 5.371 1.00 0.00 C ATOM 329 CE LYS A 18 -6.207 -8.480 5.059 1.00 0.00 C ATOM 330 NZ LYS A 18 -7.617 -8.904 5.122 1.00 0.00 N ATOM 0 H LYS A 18 -3.312 -6.791 8.390 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.462 -9.578 7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.352 -7.498 6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.723 -7.375 5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.655 -8.675 4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.100 -9.949 5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.394 -10.448 4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.384 -9.973 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.048 -7.663 5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.997 -8.088 4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.201 -8.118 5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.940 -9.178 4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.707 -9.716 5.765 1.00 0.00 H new ATOM 344 N PHE A 19 -0.626 -8.005 7.059 1.00 0.00 N ATOM 345 CA PHE A 19 0.794 -8.204 6.838 1.00 0.00 C ATOM 346 C PHE A 19 1.425 -8.317 8.212 1.00 0.00 C ATOM 347 O PHE A 19 2.346 -9.114 8.435 1.00 0.00 O ATOM 348 CB PHE A 19 1.370 -6.985 6.070 1.00 0.00 C ATOM 349 CG PHE A 19 2.801 -7.107 5.527 1.00 0.00 C ATOM 350 CD1 PHE A 19 3.897 -7.091 6.375 1.00 0.00 C ATOM 351 CD2 PHE A 19 3.038 -7.174 4.161 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.188 -7.141 5.885 1.00 0.00 C ATOM 353 CE2 PHE A 19 4.334 -7.211 3.665 1.00 0.00 C ATOM 354 CZ PHE A 19 5.412 -7.193 4.528 1.00 0.00 C ATOM 0 H PHE A 19 -0.937 -7.038 6.965 1.00 0.00 H new ATOM 0 HA PHE A 19 0.995 -9.096 6.245 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.708 -6.771 5.231 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.333 -6.121 6.733 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.739 -7.038 7.442 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.204 -7.198 3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.024 -7.139 6.569 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.500 -7.254 2.599 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.420 -7.219 4.142 1.00 0.00 H new ATOM 364 N LYS A 20 0.838 -7.552 9.150 1.00 0.00 N ATOM 365 CA LYS A 20 1.287 -7.466 10.522 1.00 0.00 C ATOM 366 C LYS A 20 2.624 -6.758 10.558 1.00 0.00 C ATOM 367 O LYS A 20 3.656 -7.323 10.237 1.00 0.00 O ATOM 368 CB LYS A 20 1.276 -8.873 11.196 1.00 0.00 C ATOM 369 CG LYS A 20 1.764 -8.966 12.643 1.00 0.00 C ATOM 370 CD LYS A 20 3.299 -9.007 12.808 1.00 0.00 C ATOM 371 CE LYS A 20 3.951 -10.208 12.097 1.00 0.00 C ATOM 372 NZ LYS A 20 4.158 -10.000 10.637 1.00 0.00 N ATOM 0 H LYS A 20 0.023 -6.970 8.956 1.00 0.00 H new ATOM 0 HA LYS A 20 0.600 -6.867 11.120 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.256 -9.256 11.160 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.889 -9.541 10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.376 -8.112 13.198 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.340 -9.861 13.098 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.726 -8.084 12.415 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.544 -9.044 13.870 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.913 -10.417 12.565 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.326 -11.089 12.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.749 -10.799 10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.693 -9.117 10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.177 -9.939 10.436 1.00 0.00 H new ATOM 386 N LEU A 21 2.588 -5.507 10.869 1.00 0.00 N ATOM 387 CA LEU A 21 3.787 -4.724 10.843 1.00 0.00 C ATOM 388 C LEU A 21 4.351 -4.592 12.234 1.00 0.00 C ATOM 389 O LEU A 21 5.477 -5.015 12.520 1.00 0.00 O ATOM 390 CB LEU A 21 3.536 -3.334 10.219 1.00 0.00 C ATOM 391 CG LEU A 21 2.895 -3.286 8.791 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.569 -4.246 7.878 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.379 -3.534 8.765 1.00 0.00 C ATOM 0 H LEU A 21 1.746 -5.001 11.144 1.00 0.00 H new ATOM 0 HA LEU A 21 4.516 -5.238 10.217 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.891 -2.773 10.896 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.489 -2.807 10.177 1.00 0.00 H new ATOM 0 HG LEU A 21 3.046 -2.262 8.448 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.107 -4.196 6.892 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.626 -3.991 7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.469 -5.256 8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.019 -3.483 7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.165 -4.521 9.175 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.876 -2.775 9.364 1.00 0.00 H new ATOM 405 N THR A 22 3.524 -4.065 13.100 1.00 0.00 N ATOM 406 CA THR A 22 3.833 -3.769 14.476 1.00 0.00 C ATOM 407 C THR A 22 5.042 -2.853 14.634 1.00 0.00 C ATOM 408 O THR A 22 6.174 -3.288 14.897 1.00 0.00 O ATOM 409 CB THR A 22 3.828 -5.013 15.416 1.00 0.00 C ATOM 410 OG1 THR A 22 4.643 -6.082 14.884 1.00 0.00 O ATOM 411 CG2 THR A 22 2.405 -5.510 15.578 1.00 0.00 C ATOM 0 H THR A 22 2.566 -3.818 12.851 1.00 0.00 H new ATOM 0 HA THR A 22 2.991 -3.180 14.840 1.00 0.00 H new ATOM 0 HB THR A 22 4.242 -4.713 16.379 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.133 -5.760 14.099 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.396 -6.380 16.235 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.791 -4.721 16.013 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.003 -5.787 14.603 1.00 0.00 H new ATOM 459 N GLN A 26 8.364 3.926 7.231 1.00 0.00 N ATOM 460 CA GLN A 26 8.144 4.866 6.154 1.00 0.00 C ATOM 461 C GLN A 26 8.546 4.236 4.836 1.00 0.00 C ATOM 462 O GLN A 26 9.062 3.114 4.823 1.00 0.00 O ATOM 463 CB GLN A 26 8.939 6.154 6.391 1.00 0.00 C ATOM 464 CG GLN A 26 10.448 5.975 6.334 1.00 0.00 C ATOM 465 CD GLN A 26 11.197 7.252 6.621 1.00 0.00 C ATOM 466 OE1 GLN A 26 10.734 8.105 7.391 1.00 0.00 O ATOM 467 NE2 GLN A 26 12.335 7.412 6.007 1.00 0.00 N ATOM 0 HA GLN A 26 7.085 5.121 6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.644 6.892 5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.669 6.560 7.366 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.747 5.214 7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.729 5.608 5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.683 6.686 5.380 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.878 8.263 6.153 1.00 0.00 H new ATOM 476 N VAL A 27 8.288 4.940 3.745 1.00 0.00 N ATOM 477 CA VAL A 27 8.644 4.479 2.425 1.00 0.00 C ATOM 478 C VAL A 27 10.140 4.254 2.308 1.00 0.00 C ATOM 479 O VAL A 27 10.962 5.117 2.641 1.00 0.00 O ATOM 480 CB VAL A 27 8.133 5.421 1.295 1.00 0.00 C ATOM 481 CG1 VAL A 27 8.633 6.831 1.468 1.00 0.00 C ATOM 482 CG2 VAL A 27 8.538 4.910 -0.066 1.00 0.00 C ATOM 0 H VAL A 27 7.824 5.849 3.757 1.00 0.00 H new ATOM 0 HA VAL A 27 8.138 3.524 2.287 1.00 0.00 H new ATOM 0 HB VAL A 27 7.045 5.429 1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.253 7.454 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.286 7.226 2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.723 6.836 1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.167 5.588 -0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.625 4.854 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.115 3.918 -0.223 1.00 0.00 H new ATOM 492 N ILE A 28 10.468 3.088 1.890 1.00 0.00 N ATOM 493 CA ILE A 28 11.822 2.690 1.716 1.00 0.00 C ATOM 494 C ILE A 28 12.246 2.951 0.277 1.00 0.00 C ATOM 495 O ILE A 28 13.384 3.330 0.009 1.00 0.00 O ATOM 496 CB ILE A 28 11.985 1.181 2.066 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.527 0.915 3.514 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.411 0.691 1.846 1.00 0.00 C ATOM 499 CD1 ILE A 28 12.237 1.755 4.567 1.00 0.00 C ATOM 0 H ILE A 28 9.790 2.364 1.653 1.00 0.00 H new ATOM 0 HA ILE A 28 12.459 3.269 2.385 1.00 0.00 H new ATOM 0 HB ILE A 28 11.348 0.615 1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.455 1.101 3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.683 -0.139 3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.476 -0.366 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.685 0.828 0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 28 14.093 1.261 2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.852 1.502 5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 28 13.308 1.553 4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.060 2.812 4.369 1.00 0.00 H new ATOM 511 N HIS A 29 11.300 2.841 -0.637 1.00 0.00 N ATOM 512 CA HIS A 29 11.580 2.949 -2.072 1.00 0.00 C ATOM 513 C HIS A 29 10.313 3.190 -2.813 1.00 0.00 C ATOM 514 O HIS A 29 9.233 2.839 -2.339 1.00 0.00 O ATOM 515 CB HIS A 29 12.232 1.673 -2.680 1.00 0.00 C ATOM 516 CG HIS A 29 13.683 1.423 -2.370 1.00 0.00 C ATOM 517 ND1 HIS A 29 14.133 0.284 -1.746 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.789 2.134 -2.680 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.449 0.307 -1.691 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.875 1.418 -2.254 1.00 0.00 N ATOM 0 H HIS A 29 10.318 2.675 -0.416 1.00 0.00 H new ATOM 0 HA HIS A 29 12.284 3.775 -2.174 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.661 0.809 -2.341 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.122 1.722 -3.763 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.812 3.094 -3.175 1.00 0.00 H new ATOM 0 HE1 HIS A 29 16.075 -0.459 -1.256 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.850 1.698 -2.356 1.00 0.00 H new ATOM 529 N LEU A 30 10.434 3.742 -3.967 1.00 0.00 N ATOM 530 CA LEU A 30 9.293 3.974 -4.802 1.00 0.00 C ATOM 531 C LEU A 30 9.217 2.867 -5.811 1.00 0.00 C ATOM 532 O LEU A 30 10.148 2.648 -6.571 1.00 0.00 O ATOM 533 CB LEU A 30 9.325 5.348 -5.524 1.00 0.00 C ATOM 534 CG LEU A 30 9.201 6.630 -4.665 1.00 0.00 C ATOM 535 CD1 LEU A 30 7.961 6.595 -3.795 1.00 0.00 C ATOM 536 CD2 LEU A 30 10.451 6.905 -3.840 1.00 0.00 C ATOM 0 H LEU A 30 11.322 4.048 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 30 8.410 3.991 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.260 5.410 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.517 5.358 -6.256 1.00 0.00 H new ATOM 0 HG LEU A 30 9.099 7.462 -5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.905 7.510 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.076 6.515 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.009 5.735 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.309 7.815 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.634 6.068 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.306 7.029 -4.505 1.00 0.00 H new ATOM 548 N ALA A 31 8.174 2.137 -5.768 1.00 0.00 N ATOM 549 CA ALA A 31 7.949 1.078 -6.713 1.00 0.00 C ATOM 550 C ALA A 31 7.082 1.534 -7.838 1.00 0.00 C ATOM 551 O ALA A 31 6.320 2.481 -7.725 1.00 0.00 O ATOM 552 CB ALA A 31 7.355 -0.165 -6.078 1.00 0.00 C ATOM 0 H ALA A 31 7.434 2.245 -5.075 1.00 0.00 H new ATOM 0 HA ALA A 31 8.932 0.809 -7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.208 -0.929 -6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.033 -0.542 -5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.396 0.082 -5.623 1.00 0.00 H new ATOM 558 N LYS A 32 7.216 0.871 -8.903 1.00 0.00 N ATOM 559 CA LYS A 32 6.452 1.117 -10.058 1.00 0.00 C ATOM 560 C LYS A 32 5.460 0.009 -10.192 1.00 0.00 C ATOM 561 O LYS A 32 5.845 -1.164 -10.085 1.00 0.00 O ATOM 562 CB LYS A 32 7.375 1.119 -11.276 1.00 0.00 C ATOM 563 CG LYS A 32 6.679 1.261 -12.630 1.00 0.00 C ATOM 564 CD LYS A 32 7.662 1.035 -13.766 1.00 0.00 C ATOM 565 CE LYS A 32 8.159 -0.407 -13.756 1.00 0.00 C ATOM 566 NZ LYS A 32 9.230 -0.672 -14.736 1.00 0.00 N ATOM 0 H LYS A 32 7.886 0.109 -9.007 1.00 0.00 H new ATOM 0 HA LYS A 32 5.945 2.079 -9.989 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.089 1.935 -11.167 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.948 0.192 -11.277 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.862 0.543 -12.701 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.239 2.254 -12.716 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.183 1.255 -14.720 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.505 1.718 -13.668 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.524 -0.649 -12.758 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.320 -1.073 -13.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.320 -1.698 -14.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.996 -0.212 -15.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.130 -0.293 -14.378 1.00 0.00 H new ATOM 580 N ALA A 33 4.192 0.349 -10.350 1.00 0.00 N ATOM 581 CA ALA A 33 3.224 -0.629 -10.711 1.00 0.00 C ATOM 582 C ALA A 33 3.591 -1.108 -12.093 1.00 0.00 C ATOM 583 O ALA A 33 3.432 -0.374 -13.078 1.00 0.00 O ATOM 584 CB ALA A 33 1.860 -0.013 -10.730 1.00 0.00 C ATOM 0 H ALA A 33 3.827 1.294 -10.231 1.00 0.00 H new ATOM 0 HA ALA A 33 3.211 -1.454 -9.998 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.124 -0.768 -11.007 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.624 0.378 -9.740 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.838 0.800 -11.456 1.00 0.00 H new ATOM 590 N CYS A 34 4.140 -2.292 -12.146 1.00 0.00 N ATOM 591 CA CYS A 34 4.661 -2.855 -13.375 1.00 0.00 C ATOM 592 C CYS A 34 3.524 -3.266 -14.303 1.00 0.00 C ATOM 593 O CYS A 34 3.713 -3.409 -15.517 1.00 0.00 O ATOM 594 CB CYS A 34 5.562 -4.058 -13.043 1.00 0.00 C ATOM 595 SG CYS A 34 6.462 -4.754 -14.444 1.00 0.00 S ATOM 0 H CYS A 34 4.242 -2.902 -11.335 1.00 0.00 H new ATOM 0 HA CYS A 34 5.253 -2.101 -13.893 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.283 -3.753 -12.284 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.946 -4.842 -12.602 1.00 0.00 H new ATOM 0 HG CYS A 34 7.608 -4.152 -14.566 1.00 0.00 H new ATOM 601 N CYS A 35 2.351 -3.406 -13.738 1.00 0.00 N ATOM 602 CA CYS A 35 1.190 -3.817 -14.464 1.00 0.00 C ATOM 603 C CYS A 35 -0.060 -3.429 -13.687 1.00 0.00 C ATOM 604 O CYS A 35 0.008 -3.193 -12.477 1.00 0.00 O ATOM 605 CB CYS A 35 1.243 -5.337 -14.739 1.00 0.00 C ATOM 606 SG CYS A 35 1.520 -6.371 -13.274 1.00 0.00 S ATOM 0 H CYS A 35 2.180 -3.234 -12.747 1.00 0.00 H new ATOM 0 HA CYS A 35 1.161 -3.311 -15.429 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.306 -5.639 -15.207 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.037 -5.533 -15.459 1.00 0.00 H new ATOM 0 HG CYS A 35 1.543 -7.623 -13.624 1.00 0.00 H new ATOM 612 N ASP A 36 -1.168 -3.293 -14.387 1.00 0.00 N ATOM 613 CA ASP A 36 -2.449 -2.986 -13.754 1.00 0.00 C ATOM 614 C ASP A 36 -2.996 -4.227 -13.097 1.00 0.00 C ATOM 615 O ASP A 36 -3.158 -5.269 -13.738 1.00 0.00 O ATOM 616 CB ASP A 36 -3.496 -2.382 -14.740 1.00 0.00 C ATOM 617 CG ASP A 36 -3.972 -3.317 -15.854 1.00 0.00 C ATOM 618 OD1 ASP A 36 -3.324 -3.359 -16.936 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.015 -3.991 -15.696 1.00 0.00 O ATOM 0 H ASP A 36 -1.214 -3.390 -15.401 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.261 -2.217 -13.005 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.364 -2.058 -14.166 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.066 -1.491 -15.197 1.00 0.00 H new ATOM 624 N VAL A 37 -3.173 -4.156 -11.820 1.00 0.00 N ATOM 625 CA VAL A 37 -3.691 -5.261 -11.062 1.00 0.00 C ATOM 626 C VAL A 37 -5.069 -4.868 -10.504 1.00 0.00 C ATOM 627 O VAL A 37 -5.401 -3.677 -10.468 1.00 0.00 O ATOM 628 CB VAL A 37 -2.726 -5.632 -9.923 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.834 -4.666 -8.778 1.00 0.00 C ATOM 630 CG2 VAL A 37 -2.901 -7.066 -9.483 1.00 0.00 C ATOM 0 H VAL A 37 -2.963 -3.327 -11.263 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.793 -6.136 -11.705 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.711 -5.551 -10.313 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.139 -4.957 -7.990 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.590 -3.662 -9.125 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.851 -4.678 -8.387 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.201 -7.287 -8.677 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.921 -7.216 -9.129 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.708 -7.731 -10.325 1.00 0.00 H new ATOM 640 N LYS A 38 -5.856 -5.821 -10.063 1.00 0.00 N ATOM 641 CA LYS A 38 -7.180 -5.490 -9.559 1.00 0.00 C ATOM 642 C LYS A 38 -7.253 -5.483 -8.028 1.00 0.00 C ATOM 643 O LYS A 38 -8.277 -5.093 -7.463 1.00 0.00 O ATOM 644 CB LYS A 38 -8.285 -6.414 -10.131 1.00 0.00 C ATOM 645 CG LYS A 38 -8.228 -7.889 -9.700 1.00 0.00 C ATOM 646 CD LYS A 38 -7.123 -8.678 -10.388 1.00 0.00 C ATOM 647 CE LYS A 38 -7.362 -8.811 -11.887 1.00 0.00 C ATOM 648 NZ LYS A 38 -8.629 -9.516 -12.190 1.00 0.00 N ATOM 0 H LYS A 38 -5.616 -6.812 -10.040 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.365 -4.475 -9.910 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.254 -6.009 -9.840 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.236 -6.373 -11.219 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.082 -7.939 -8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.188 -8.360 -9.914 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.166 -8.186 -10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.056 -9.671 -9.943 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.382 -7.820 -12.340 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.530 -9.351 -12.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.633 -9.809 -13.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.713 -10.356 -11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.432 -8.879 -12.013 1.00 0.00 H new ATOM 662 N GLY A 39 -6.175 -5.865 -7.350 1.00 0.00 N ATOM 663 CA GLY A 39 -6.253 -5.981 -5.898 1.00 0.00 C ATOM 664 C GLY A 39 -6.959 -7.256 -5.518 1.00 0.00 C ATOM 665 O GLY A 39 -8.034 -7.239 -4.898 1.00 0.00 O ATOM 0 H GLY A 39 -5.270 -6.092 -7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.251 -5.970 -5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.785 -5.124 -5.485 1.00 0.00 H new ATOM 669 N GLY A 40 -6.385 -8.348 -5.930 1.00 0.00 N ATOM 670 CA GLY A 40 -7.012 -9.623 -5.791 1.00 0.00 C ATOM 671 C GLY A 40 -6.421 -10.451 -4.687 1.00 0.00 C ATOM 672 O GLY A 40 -5.189 -10.606 -4.603 1.00 0.00 O ATOM 0 H GLY A 40 -5.466 -8.376 -6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.076 -9.480 -5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.927 -10.168 -6.731 1.00 0.00 H new ATOM 676 N LYS A 41 -7.306 -10.988 -3.859 1.00 0.00 N ATOM 677 CA LYS A 41 -6.983 -11.838 -2.708 1.00 0.00 C ATOM 678 C LYS A 41 -6.017 -11.103 -1.778 1.00 0.00 C ATOM 679 O LYS A 41 -4.815 -11.432 -1.698 1.00 0.00 O ATOM 680 CB LYS A 41 -6.423 -13.224 -3.153 1.00 0.00 C ATOM 681 CG LYS A 41 -6.762 -14.409 -2.218 1.00 0.00 C ATOM 682 CD LYS A 41 -6.135 -14.346 -0.814 1.00 0.00 C ATOM 683 CE LYS A 41 -4.659 -14.792 -0.756 1.00 0.00 C ATOM 684 NZ LYS A 41 -3.728 -13.912 -1.493 1.00 0.00 N ATOM 0 H LYS A 41 -8.309 -10.841 -3.970 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.901 -12.042 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.805 -13.448 -4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.339 -13.149 -3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.845 -14.466 -2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.440 -15.332 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.208 -13.324 -0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.718 -14.973 -0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.347 -14.839 0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.581 -15.802 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.774 -13.998 -1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.705 -14.192 -2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.049 -12.926 -1.416 1.00 0.00 H new ATOM 698 N ASN A 42 -6.551 -10.078 -1.130 1.00 0.00 N ATOM 699 CA ASN A 42 -5.812 -9.202 -0.228 1.00 0.00 C ATOM 700 C ASN A 42 -4.638 -8.569 -0.924 1.00 0.00 C ATOM 701 O ASN A 42 -3.473 -8.943 -0.685 1.00 0.00 O ATOM 702 CB ASN A 42 -5.398 -9.914 1.067 1.00 0.00 C ATOM 703 CG ASN A 42 -6.576 -10.211 1.962 1.00 0.00 C ATOM 704 OD1 ASN A 42 -7.541 -9.447 2.026 1.00 0.00 O ATOM 705 ND2 ASN A 42 -6.538 -11.318 2.638 1.00 0.00 N ATOM 0 H ASN A 42 -7.535 -9.825 -1.218 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.489 -8.400 0.068 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.889 -10.846 0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.682 -9.294 1.607 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.320 -11.574 3.241 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.727 -11.932 2.566 1.00 0.00 H new ATOM 712 N GLU A 43 -4.953 -7.690 -1.852 1.00 0.00 N ATOM 713 CA GLU A 43 -3.960 -7.009 -2.612 1.00 0.00 C ATOM 714 C GLU A 43 -4.329 -5.528 -2.726 1.00 0.00 C ATOM 715 O GLU A 43 -5.407 -5.111 -2.295 1.00 0.00 O ATOM 716 CB GLU A 43 -3.899 -7.656 -3.957 1.00 0.00 C ATOM 717 CG GLU A 43 -2.765 -7.258 -4.850 1.00 0.00 C ATOM 718 CD GLU A 43 -2.711 -8.164 -6.006 1.00 0.00 C ATOM 719 OE1 GLU A 43 -3.699 -8.238 -6.762 1.00 0.00 O ATOM 720 OE2 GLU A 43 -1.725 -8.906 -6.115 1.00 0.00 O ATOM 0 H GLU A 43 -5.912 -7.436 -2.091 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.983 -7.070 -2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.854 -8.735 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.832 -7.443 -4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.896 -6.230 -5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.825 -7.296 -4.300 1.00 0.00 H new ATOM 727 N LEU A 44 -3.437 -4.751 -3.276 1.00 0.00 N ATOM 728 CA LEU A 44 -3.638 -3.349 -3.468 1.00 0.00 C ATOM 729 C LEU A 44 -4.084 -3.185 -4.889 1.00 0.00 C ATOM 730 O LEU A 44 -3.608 -3.889 -5.766 1.00 0.00 O ATOM 731 CB LEU A 44 -2.287 -2.643 -3.299 1.00 0.00 C ATOM 732 CG LEU A 44 -2.277 -1.188 -2.809 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.882 -0.711 -2.725 1.00 0.00 C ATOM 734 CD2 LEU A 44 -3.048 -0.259 -3.681 1.00 0.00 C ATOM 0 H LEU A 44 -2.533 -5.086 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.362 -2.938 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.690 -3.232 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.775 -2.672 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.761 -1.187 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.871 0.322 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.326 -1.335 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.418 -0.767 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.996 0.750 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.624 -0.266 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.089 -0.580 -3.724 1.00 0.00 H new ATOM 746 N SER A 45 -4.993 -2.308 -5.118 1.00 0.00 N ATOM 747 CA SER A 45 -5.427 -2.089 -6.452 1.00 0.00 C ATOM 748 C SER A 45 -4.739 -0.865 -7.054 1.00 0.00 C ATOM 749 O SER A 45 -4.854 0.256 -6.541 1.00 0.00 O ATOM 750 CB SER A 45 -6.956 -2.045 -6.550 1.00 0.00 C ATOM 751 OG SER A 45 -7.531 -1.124 -5.619 1.00 0.00 O ATOM 0 H SER A 45 -5.448 -1.734 -4.408 1.00 0.00 H new ATOM 0 HA SER A 45 -5.122 -2.941 -7.059 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.245 -1.764 -7.563 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.359 -3.041 -6.369 1.00 0.00 H new ATOM 0 HG SER A 45 -8.506 -1.126 -5.716 1.00 0.00 H new ATOM 757 N PHE A 46 -3.996 -1.095 -8.100 1.00 0.00 N ATOM 758 CA PHE A 46 -3.249 -0.063 -8.775 1.00 0.00 C ATOM 759 C PHE A 46 -3.279 -0.303 -10.256 1.00 0.00 C ATOM 760 O PHE A 46 -3.698 -1.375 -10.709 1.00 0.00 O ATOM 761 CB PHE A 46 -1.790 0.011 -8.253 1.00 0.00 C ATOM 762 CG PHE A 46 -1.082 -1.313 -8.156 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.412 -1.846 -9.239 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.062 -2.005 -6.961 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.266 -3.041 -9.138 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.394 -3.201 -6.854 1.00 0.00 C ATOM 767 CZ PHE A 46 0.276 -3.721 -7.942 1.00 0.00 C ATOM 0 H PHE A 46 -3.889 -2.020 -8.517 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.716 0.899 -8.563 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.217 0.665 -8.911 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.796 0.476 -7.267 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.419 -1.318 -10.181 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.577 -1.602 -6.101 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.788 -3.442 -9.994 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.393 -3.735 -5.915 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.806 -4.658 -7.855 1.00 0.00 H new ATOM 777 N LYS A 47 -2.819 0.650 -10.992 1.00 0.00 N ATOM 778 CA LYS A 47 -2.794 0.584 -12.422 1.00 0.00 C ATOM 779 C LYS A 47 -1.366 0.693 -12.819 1.00 0.00 C ATOM 780 O LYS A 47 -0.559 1.138 -12.012 1.00 0.00 O ATOM 781 CB LYS A 47 -3.601 1.733 -13.049 1.00 0.00 C ATOM 782 CG LYS A 47 -5.079 1.725 -12.715 1.00 0.00 C ATOM 783 CD LYS A 47 -5.802 2.878 -13.388 1.00 0.00 C ATOM 784 CE LYS A 47 -7.297 2.814 -13.127 1.00 0.00 C ATOM 785 NZ LYS A 47 -8.027 3.928 -13.776 1.00 0.00 N ATOM 0 H LYS A 47 -2.440 1.518 -10.613 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.243 -0.346 -12.770 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.173 2.680 -12.721 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.487 1.690 -14.132 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.521 0.781 -13.033 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.210 1.791 -11.635 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.406 3.824 -13.020 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.616 2.851 -14.462 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.688 1.864 -13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.478 2.841 -12.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.043 3.843 -13.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.674 4.835 -13.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.877 3.889 -14.804 1.00 0.00 H new ATOM 799 N GLN A 48 -1.042 0.300 -14.004 1.00 0.00 N ATOM 800 CA GLN A 48 0.326 0.363 -14.461 1.00 0.00 C ATOM 801 C GLN A 48 0.767 1.831 -14.504 1.00 0.00 C ATOM 802 O GLN A 48 0.050 2.693 -15.043 1.00 0.00 O ATOM 803 CB GLN A 48 0.463 -0.263 -15.840 1.00 0.00 C ATOM 804 CG GLN A 48 1.894 -0.531 -16.249 1.00 0.00 C ATOM 805 CD GLN A 48 2.008 -0.992 -17.681 1.00 0.00 C ATOM 806 OE1 GLN A 48 1.939 -2.186 -17.968 1.00 0.00 O ATOM 807 NE2 GLN A 48 2.196 -0.067 -18.582 1.00 0.00 N ATOM 0 H GLN A 48 -1.703 -0.072 -14.686 1.00 0.00 H new ATOM 0 HA GLN A 48 0.960 -0.196 -13.773 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.092 -1.201 -15.860 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.002 0.396 -16.576 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.483 0.376 -16.115 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.321 -1.288 -15.592 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.247 0.913 -18.304 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.291 -0.324 -19.564 1.00 0.00 H new ATOM 816 N GLY A 49 1.895 2.116 -13.903 1.00 0.00 N ATOM 817 CA GLY A 49 2.394 3.473 -13.887 1.00 0.00 C ATOM 818 C GLY A 49 1.724 4.351 -12.835 1.00 0.00 C ATOM 819 O GLY A 49 1.610 5.565 -13.018 1.00 0.00 O ATOM 0 H GLY A 49 2.483 1.435 -13.422 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.468 3.455 -13.704 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.245 3.919 -14.870 1.00 0.00 H new ATOM 823 N GLU A 50 1.283 3.745 -11.739 1.00 0.00 N ATOM 824 CA GLU A 50 0.642 4.502 -10.642 1.00 0.00 C ATOM 825 C GLU A 50 1.627 4.996 -9.615 1.00 0.00 C ATOM 826 O GLU A 50 1.371 5.999 -8.926 1.00 0.00 O ATOM 827 CB GLU A 50 -0.447 3.696 -9.938 1.00 0.00 C ATOM 828 CG GLU A 50 -1.763 3.670 -10.660 1.00 0.00 C ATOM 829 CD GLU A 50 -2.313 5.042 -10.880 1.00 0.00 C ATOM 830 OE1 GLU A 50 -2.824 5.647 -9.927 1.00 0.00 O ATOM 831 OE2 GLU A 50 -2.250 5.540 -12.020 1.00 0.00 O ATOM 0 H GLU A 50 1.351 2.740 -11.576 1.00 0.00 H new ATOM 0 HA GLU A 50 0.188 5.365 -11.129 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.097 2.672 -9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.601 4.109 -8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.638 3.172 -11.621 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.479 3.081 -10.086 1.00 0.00 H new ATOM 838 N GLN A 51 2.719 4.286 -9.525 1.00 0.00 N ATOM 839 CA GLN A 51 3.787 4.510 -8.544 1.00 0.00 C ATOM 840 C GLN A 51 3.336 4.134 -7.140 1.00 0.00 C ATOM 841 O GLN A 51 2.375 4.668 -6.580 1.00 0.00 O ATOM 842 CB GLN A 51 4.389 5.920 -8.585 1.00 0.00 C ATOM 843 CG GLN A 51 5.512 6.125 -7.577 1.00 0.00 C ATOM 844 CD GLN A 51 6.159 7.477 -7.687 1.00 0.00 C ATOM 845 OE1 GLN A 51 5.737 8.443 -7.048 1.00 0.00 O ATOM 846 NE2 GLN A 51 7.190 7.562 -8.470 1.00 0.00 N ATOM 0 H GLN A 51 2.912 3.502 -10.149 1.00 0.00 H new ATOM 0 HA GLN A 51 4.598 3.843 -8.836 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.770 6.116 -9.587 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.602 6.649 -8.395 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.116 5.998 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.268 5.353 -7.722 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.510 6.740 -8.983 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.681 8.450 -8.573 1.00 0.00 H new ATOM 855 N ILE A 52 4.028 3.220 -6.593 1.00 0.00 N ATOM 856 CA ILE A 52 3.724 2.672 -5.325 1.00 0.00 C ATOM 857 C ILE A 52 4.912 2.947 -4.426 1.00 0.00 C ATOM 858 O ILE A 52 5.975 3.234 -4.904 1.00 0.00 O ATOM 859 CB ILE A 52 3.491 1.139 -5.477 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.536 0.894 -6.660 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.940 0.516 -4.193 1.00 0.00 C ATOM 862 CD1 ILE A 52 2.053 -0.508 -6.789 1.00 0.00 C ATOM 0 H ILE A 52 4.856 2.812 -7.027 1.00 0.00 H new ATOM 0 HA ILE A 52 2.822 3.112 -4.900 1.00 0.00 H new ATOM 0 HB ILE A 52 4.449 0.657 -5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.674 1.553 -6.556 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.043 1.176 -7.583 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.792 -0.554 -4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.647 0.675 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.987 0.983 -3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.387 -0.586 -7.648 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.904 -1.175 -6.928 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.514 -0.792 -5.885 1.00 0.00 H new ATOM 874 N GLU A 53 4.723 2.939 -3.174 1.00 0.00 N ATOM 875 CA GLU A 53 5.797 3.130 -2.260 1.00 0.00 C ATOM 876 C GLU A 53 5.925 1.863 -1.459 1.00 0.00 C ATOM 877 O GLU A 53 4.916 1.325 -1.006 1.00 0.00 O ATOM 878 CB GLU A 53 5.476 4.269 -1.327 1.00 0.00 C ATOM 879 CG GLU A 53 4.949 5.525 -2.019 1.00 0.00 C ATOM 880 CD GLU A 53 4.266 6.470 -1.068 1.00 0.00 C ATOM 881 OE1 GLU A 53 4.941 7.318 -0.447 1.00 0.00 O ATOM 882 OE2 GLU A 53 3.034 6.361 -0.892 1.00 0.00 O ATOM 0 H GLU A 53 3.813 2.799 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 53 6.720 3.361 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.735 3.931 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.375 4.528 -0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.777 6.041 -2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.249 5.236 -2.803 1.00 0.00 H new ATOM 889 N ILE A 54 7.114 1.364 -1.317 1.00 0.00 N ATOM 890 CA ILE A 54 7.313 0.168 -0.546 1.00 0.00 C ATOM 891 C ILE A 54 7.649 0.544 0.885 1.00 0.00 C ATOM 892 O ILE A 54 8.535 1.368 1.131 1.00 0.00 O ATOM 893 CB ILE A 54 8.418 -0.786 -1.140 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.519 -2.069 -0.335 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.777 -0.135 -1.215 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.319 -2.943 -0.437 1.00 0.00 C ATOM 0 H ILE A 54 7.961 1.762 -1.722 1.00 0.00 H new ATOM 0 HA ILE A 54 6.381 -0.396 -0.581 1.00 0.00 H new ATOM 0 HB ILE A 54 8.102 -1.013 -2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.393 -2.628 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.684 -1.817 0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.496 -0.840 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.723 0.747 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.095 0.159 -0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.469 -3.839 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.444 -2.404 -0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.164 -3.228 -1.478 1.00 0.00 H new ATOM 908 N ILE A 55 6.905 0.017 1.799 1.00 0.00 N ATOM 909 CA ILE A 55 7.163 0.235 3.197 1.00 0.00 C ATOM 910 C ILE A 55 7.663 -1.041 3.849 1.00 0.00 C ATOM 911 O ILE A 55 8.684 -1.051 4.511 1.00 0.00 O ATOM 912 CB ILE A 55 5.952 0.848 4.010 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.590 0.196 3.667 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.881 2.357 3.832 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.944 0.694 2.376 1.00 0.00 C ATOM 0 H ILE A 55 6.099 -0.578 1.606 1.00 0.00 H new ATOM 0 HA ILE A 55 7.940 0.999 3.233 1.00 0.00 H new ATOM 0 HB ILE A 55 6.150 0.622 5.058 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.729 -0.883 3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.901 0.374 4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.040 2.751 4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.806 2.810 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.747 2.593 2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.996 0.179 2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.767 1.767 2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.608 0.491 1.535 1.00 0.00 H new ATOM 927 N ARG A 56 6.989 -2.135 3.602 1.00 0.00 N ATOM 928 CA ARG A 56 7.378 -3.382 4.206 1.00 0.00 C ATOM 929 C ARG A 56 7.729 -4.446 3.212 1.00 0.00 C ATOM 930 O ARG A 56 6.894 -4.954 2.487 1.00 0.00 O ATOM 931 CB ARG A 56 6.363 -3.873 5.221 1.00 0.00 C ATOM 932 CG ARG A 56 6.589 -3.373 6.633 1.00 0.00 C ATOM 933 CD ARG A 56 7.726 -4.084 7.316 1.00 0.00 C ATOM 934 NE ARG A 56 7.810 -3.736 8.736 1.00 0.00 N ATOM 935 CZ ARG A 56 8.557 -4.375 9.637 1.00 0.00 C ATOM 936 NH1 ARG A 56 9.388 -5.340 9.260 1.00 0.00 N ATOM 937 NH2 ARG A 56 8.474 -4.026 10.905 1.00 0.00 N ATOM 0 H ARG A 56 6.174 -2.188 2.991 1.00 0.00 H new ATOM 0 HA ARG A 56 8.299 -3.163 4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.368 -3.568 4.897 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.375 -4.963 5.229 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.795 -2.303 6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.677 -3.509 7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.596 -5.161 7.213 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.664 -3.828 6.823 1.00 0.00 H new ATOM 0 HE ARG A 56 7.255 -2.944 9.061 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.458 -5.597 8.275 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.956 -5.824 9.955 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.844 -3.275 11.187 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.040 -4.507 11.604 1.00 0.00 H new ATOM 951 N ILE A 57 8.984 -4.694 3.159 1.00 0.00 N ATOM 952 CA ILE A 57 9.596 -5.771 2.403 1.00 0.00 C ATOM 953 C ILE A 57 9.989 -6.837 3.387 1.00 0.00 C ATOM 954 O ILE A 57 9.977 -8.026 3.102 1.00 0.00 O ATOM 955 CB ILE A 57 10.887 -5.321 1.602 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.848 -4.408 2.425 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.539 -4.677 0.287 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.307 -3.011 2.703 1.00 0.00 C ATOM 0 H ILE A 57 9.668 -4.131 3.664 1.00 0.00 H new ATOM 0 HA ILE A 57 8.875 -6.120 1.664 1.00 0.00 H new ATOM 0 HB ILE A 57 11.431 -6.244 1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 57 12.067 -4.895 3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.792 -4.318 1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.454 -4.384 -0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.986 -5.385 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.925 -3.794 0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.039 -2.445 3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.116 -2.500 1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.379 -3.086 3.269 1.00 0.00 H new ATOM 970 N THR A 58 10.289 -6.382 4.559 1.00 0.00 N ATOM 971 CA THR A 58 10.710 -7.182 5.630 1.00 0.00 C ATOM 972 C THR A 58 9.500 -7.703 6.381 1.00 0.00 C ATOM 973 O THR A 58 8.493 -6.993 6.496 1.00 0.00 O ATOM 974 CB THR A 58 11.557 -6.292 6.547 1.00 0.00 C ATOM 975 OG1 THR A 58 10.852 -5.043 6.739 1.00 0.00 O ATOM 976 CG2 THR A 58 12.894 -5.993 5.908 1.00 0.00 C ATOM 0 H THR A 58 10.240 -5.390 4.793 1.00 0.00 H new ATOM 0 HA THR A 58 11.288 -8.038 5.281 1.00 0.00 H new ATOM 0 HB THR A 58 11.723 -6.805 7.495 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.376 -4.458 7.325 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.482 -5.360 6.573 1.00 0.00 H new ATOM 0 HG22 THR A 58 13.428 -6.926 5.729 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.737 -5.477 4.961 1.00 0.00 H new ATOM 984 N ASP A 59 9.589 -8.945 6.829 1.00 0.00 N ATOM 985 CA ASP A 59 8.563 -9.588 7.671 1.00 0.00 C ATOM 986 C ASP A 59 7.300 -9.895 6.858 1.00 0.00 C ATOM 987 O ASP A 59 6.181 -9.952 7.371 1.00 0.00 O ATOM 988 CB ASP A 59 8.275 -8.726 8.937 1.00 0.00 C ATOM 989 CG ASP A 59 7.390 -9.414 9.953 1.00 0.00 C ATOM 990 OD1 ASP A 59 7.649 -10.603 10.293 1.00 0.00 O ATOM 991 OD2 ASP A 59 6.463 -8.778 10.476 1.00 0.00 O ATOM 0 H ASP A 59 10.382 -9.552 6.622 1.00 0.00 H new ATOM 0 HA ASP A 59 8.943 -10.547 8.022 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.221 -8.464 9.411 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.803 -7.792 8.630 1.00 0.00 H new ATOM 996 N ASN A 60 7.507 -10.162 5.584 1.00 0.00 N ATOM 997 CA ASN A 60 6.418 -10.493 4.678 1.00 0.00 C ATOM 998 C ASN A 60 5.883 -11.904 4.956 1.00 0.00 C ATOM 999 O ASN A 60 6.643 -12.863 5.003 1.00 0.00 O ATOM 1000 CB ASN A 60 6.832 -10.328 3.194 1.00 0.00 C ATOM 1001 CG ASN A 60 8.004 -11.188 2.756 1.00 0.00 C ATOM 1002 OD1 ASN A 60 7.836 -12.331 2.341 1.00 0.00 O ATOM 1003 ND2 ASN A 60 9.181 -10.637 2.779 1.00 0.00 N ATOM 0 H ASN A 60 8.428 -10.157 5.146 1.00 0.00 H new ATOM 0 HA ASN A 60 5.611 -9.785 4.864 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.973 -10.562 2.565 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.082 -9.282 3.016 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.994 -11.156 2.447 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.292 -9.685 3.129 1.00 0.00 H new ATOM 1010 N PRO A 61 4.565 -12.039 5.177 1.00 0.00 N ATOM 1011 CA PRO A 61 3.951 -13.319 5.512 1.00 0.00 C ATOM 1012 C PRO A 61 3.702 -14.212 4.286 1.00 0.00 C ATOM 1013 O PRO A 61 4.255 -15.307 4.174 1.00 0.00 O ATOM 1014 CB PRO A 61 2.614 -12.929 6.170 1.00 0.00 C ATOM 1015 CG PRO A 61 2.546 -11.428 6.133 1.00 0.00 C ATOM 1016 CD PRO A 61 3.578 -10.961 5.152 1.00 0.00 C ATOM 0 HA PRO A 61 4.604 -13.908 6.156 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.774 -13.369 5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.564 -13.295 7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.552 -11.095 5.833 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.738 -11.010 7.121 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.156 -10.823 4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.014 -10.007 5.448 1.00 0.00 H new ATOM 1024 N GLU A 62 2.888 -13.734 3.363 1.00 0.00 N ATOM 1025 CA GLU A 62 2.522 -14.495 2.175 1.00 0.00 C ATOM 1026 C GLU A 62 3.635 -14.445 1.116 1.00 0.00 C ATOM 1027 O GLU A 62 3.555 -15.089 0.079 1.00 0.00 O ATOM 1028 CB GLU A 62 1.185 -13.950 1.625 1.00 0.00 C ATOM 1029 CG GLU A 62 0.597 -14.698 0.435 1.00 0.00 C ATOM 1030 CD GLU A 62 -0.796 -14.245 0.098 1.00 0.00 C ATOM 1031 OE1 GLU A 62 -1.746 -14.658 0.779 1.00 0.00 O ATOM 1032 OE2 GLU A 62 -0.985 -13.459 -0.847 1.00 0.00 O ATOM 0 H GLU A 62 2.461 -12.809 3.412 1.00 0.00 H new ATOM 0 HA GLU A 62 2.395 -15.544 2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.453 -13.959 2.432 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.331 -12.909 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.241 -14.556 -0.433 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.585 -15.766 0.652 1.00 0.00 H new ATOM 1039 N GLY A 63 4.679 -13.706 1.398 1.00 0.00 N ATOM 1040 CA GLY A 63 5.740 -13.553 0.429 1.00 0.00 C ATOM 1041 C GLY A 63 5.446 -12.413 -0.495 1.00 0.00 C ATOM 1042 O GLY A 63 5.960 -12.339 -1.609 1.00 0.00 O ATOM 0 H GLY A 63 4.818 -13.207 2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.686 -13.379 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.853 -14.473 -0.144 1.00 0.00 H new ATOM 1046 N LYS A 64 4.598 -11.540 -0.037 1.00 0.00 N ATOM 1047 CA LYS A 64 4.187 -10.406 -0.764 1.00 0.00 C ATOM 1048 C LYS A 64 4.621 -9.184 0.038 1.00 0.00 C ATOM 1049 O LYS A 64 4.793 -9.288 1.245 1.00 0.00 O ATOM 1050 CB LYS A 64 2.665 -10.475 -0.951 1.00 0.00 C ATOM 1051 CG LYS A 64 1.814 -10.139 0.271 1.00 0.00 C ATOM 1052 CD LYS A 64 0.392 -10.674 0.120 1.00 0.00 C ATOM 1053 CE LYS A 64 -0.192 -10.381 -1.254 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.574 -10.865 -1.388 1.00 0.00 N ATOM 0 H LYS A 64 4.167 -11.613 0.885 1.00 0.00 H new ATOM 0 HA LYS A 64 4.635 -10.353 -1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.389 -9.795 -1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.407 -11.481 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.272 -10.564 1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.785 -9.058 0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.391 -11.751 0.291 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.244 -10.229 0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.167 -9.307 -1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.430 -10.848 -2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.824 -10.926 -2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.656 -11.806 -0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.221 -10.206 -0.910 1.00 0.00 H new ATOM 1068 N TRP A 65 4.772 -8.071 -0.605 1.00 0.00 N ATOM 1069 CA TRP A 65 5.303 -6.878 0.036 1.00 0.00 C ATOM 1070 C TRP A 65 4.195 -5.958 0.459 1.00 0.00 C ATOM 1071 O TRP A 65 3.061 -6.176 0.124 1.00 0.00 O ATOM 1072 CB TRP A 65 6.256 -6.133 -0.900 1.00 0.00 C ATOM 1073 CG TRP A 65 7.616 -6.744 -1.039 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.247 -7.555 -0.138 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.536 -6.563 -2.130 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.484 -7.908 -0.611 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.688 -7.314 -1.828 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.493 -5.853 -3.334 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.784 -7.372 -2.681 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 9.584 -5.911 -4.178 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.714 -6.667 -3.848 1.00 0.00 C ATOM 0 H TRP A 65 4.535 -7.948 -1.589 1.00 0.00 H new ATOM 0 HA TRP A 65 5.854 -7.199 0.920 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.798 -6.074 -1.888 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.369 -5.111 -0.540 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.832 -7.871 0.808 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.148 -8.517 -0.132 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.623 -5.270 -3.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.659 -7.953 -2.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.565 -5.364 -5.109 1.00 0.00 H new ATOM 0 HH2 TRP A 65 11.550 -6.693 -4.532 1.00 0.00 H new ATOM 1092 N LEU A 66 4.515 -4.933 1.186 1.00 0.00 N ATOM 1093 CA LEU A 66 3.533 -3.970 1.574 1.00 0.00 C ATOM 1094 C LEU A 66 3.815 -2.694 0.862 1.00 0.00 C ATOM 1095 O LEU A 66 4.807 -2.011 1.157 1.00 0.00 O ATOM 1096 CB LEU A 66 3.516 -3.734 3.085 1.00 0.00 C ATOM 1097 CG LEU A 66 2.489 -2.707 3.588 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.078 -3.151 3.290 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.657 -2.452 5.065 1.00 0.00 C ATOM 0 H LEU A 66 5.458 -4.741 1.525 1.00 0.00 H new ATOM 0 HA LEU A 66 2.549 -4.354 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.323 -4.686 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.509 -3.409 3.395 1.00 0.00 H new ATOM 0 HG LEU A 66 2.672 -1.775 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.376 -2.403 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.953 -3.267 2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.885 -4.104 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.918 -1.722 5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.516 -3.383 5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.658 -2.066 5.256 1.00 0.00 H new ATOM 1111 N GLY A 67 2.992 -2.397 -0.092 1.00 0.00 N ATOM 1112 CA GLY A 67 3.127 -1.201 -0.838 1.00 0.00 C ATOM 1113 C GLY A 67 1.960 -0.295 -0.593 1.00 0.00 C ATOM 1114 O GLY A 67 0.899 -0.759 -0.146 1.00 0.00 O ATOM 0 H GLY A 67 2.206 -2.984 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.052 -0.695 -0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.197 -1.434 -1.900 1.00 0.00 H new ATOM 1118 N ARG A 68 2.154 0.967 -0.853 1.00 0.00 N ATOM 1119 CA ARG A 68 1.134 1.987 -0.697 1.00 0.00 C ATOM 1120 C ARG A 68 1.131 2.896 -1.897 1.00 0.00 C ATOM 1121 O ARG A 68 2.156 3.159 -2.489 1.00 0.00 O ATOM 1122 CB ARG A 68 1.397 2.793 0.578 1.00 0.00 C ATOM 1123 CG ARG A 68 0.519 4.027 0.800 1.00 0.00 C ATOM 1124 CD ARG A 68 1.086 4.896 1.915 1.00 0.00 C ATOM 1125 NE ARG A 68 2.422 5.449 1.591 1.00 0.00 N ATOM 1126 CZ ARG A 68 3.404 5.685 2.487 1.00 0.00 C ATOM 1127 NH1 ARG A 68 3.284 5.265 3.755 1.00 0.00 N ATOM 1128 NH2 ARG A 68 4.514 6.327 2.107 1.00 0.00 N ATOM 0 H ARG A 68 3.045 1.333 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 68 0.158 1.509 -0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.274 2.128 1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.439 3.113 0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.455 4.605 -0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.495 3.718 1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.397 5.717 2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.154 4.307 2.829 1.00 0.00 H new ATOM 0 HE ARG A 68 2.615 5.669 0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.446 4.763 4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.031 5.447 4.426 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.618 6.638 1.141 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.256 6.506 2.783 1.00 0.00 H new ATOM 1142 N THR A 69 -0.016 3.334 -2.262 1.00 0.00 N ATOM 1143 CA THR A 69 -0.164 4.262 -3.360 1.00 0.00 C ATOM 1144 C THR A 69 -0.369 5.665 -2.760 1.00 0.00 C ATOM 1145 O THR A 69 -0.664 5.765 -1.572 1.00 0.00 O ATOM 1146 CB THR A 69 -1.358 3.836 -4.218 1.00 0.00 C ATOM 1147 OG1 THR A 69 -1.331 2.403 -4.316 1.00 0.00 O ATOM 1148 CG2 THR A 69 -1.236 4.391 -5.623 1.00 0.00 C ATOM 0 H THR A 69 -0.894 3.068 -1.816 1.00 0.00 H new ATOM 0 HA THR A 69 0.718 4.272 -4.001 1.00 0.00 H new ATOM 0 HB THR A 69 -2.277 4.205 -3.763 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.087 2.098 -4.860 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.095 4.076 -6.215 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.203 5.480 -5.583 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.321 4.017 -6.084 1.00 0.00 H new ATOM 1156 N ALA A 70 -0.229 6.722 -3.563 1.00 0.00 N ATOM 1157 CA ALA A 70 -0.292 8.114 -3.075 1.00 0.00 C ATOM 1158 C ALA A 70 -1.611 8.431 -2.372 1.00 0.00 C ATOM 1159 O ALA A 70 -1.659 9.256 -1.461 1.00 0.00 O ATOM 1160 CB ALA A 70 -0.045 9.089 -4.218 1.00 0.00 C ATOM 0 H ALA A 70 -0.069 6.645 -4.567 1.00 0.00 H new ATOM 0 HA ALA A 70 0.497 8.228 -2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.095 10.111 -3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.941 8.907 -4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.805 8.948 -4.987 1.00 0.00 H new ATOM 1166 N ARG A 71 -2.669 7.763 -2.785 1.00 0.00 N ATOM 1167 CA ARG A 71 -3.982 7.927 -2.163 1.00 0.00 C ATOM 1168 C ARG A 71 -4.070 7.232 -0.795 1.00 0.00 C ATOM 1169 O ARG A 71 -5.030 7.436 -0.048 1.00 0.00 O ATOM 1170 CB ARG A 71 -5.099 7.431 -3.081 1.00 0.00 C ATOM 1171 CG ARG A 71 -4.936 5.999 -3.581 1.00 0.00 C ATOM 1172 CD ARG A 71 -6.174 5.558 -4.324 1.00 0.00 C ATOM 1173 NE ARG A 71 -5.985 4.322 -5.083 1.00 0.00 N ATOM 1174 CZ ARG A 71 -6.773 3.917 -6.092 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -7.879 4.592 -6.408 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -6.458 2.814 -6.764 1.00 0.00 N ATOM 0 H ARG A 71 -2.652 7.094 -3.555 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.114 8.997 -1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.047 7.508 -2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.162 8.096 -3.943 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.068 5.932 -4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.752 5.332 -2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.986 5.417 -3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.482 6.351 -5.006 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.198 3.725 -4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.135 5.427 -5.881 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.469 4.273 -7.177 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.624 2.284 -6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.050 2.498 -7.532 1.00 0.00 H new ATOM 1190 N GLY A 72 -3.070 6.449 -0.472 1.00 0.00 N ATOM 1191 CA GLY A 72 -3.052 5.710 0.757 1.00 0.00 C ATOM 1192 C GLY A 72 -3.879 4.469 0.669 1.00 0.00 C ATOM 1193 O GLY A 72 -5.098 4.474 0.908 1.00 0.00 O ATOM 0 H GLY A 72 -2.247 6.309 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.025 5.445 1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.425 6.339 1.565 1.00 0.00 H new ATOM 1197 N SER A 73 -3.243 3.433 0.263 1.00 0.00 N ATOM 1198 CA SER A 73 -3.802 2.172 0.102 1.00 0.00 C ATOM 1199 C SER A 73 -2.652 1.256 0.284 1.00 0.00 C ATOM 1200 O SER A 73 -1.674 1.342 -0.439 1.00 0.00 O ATOM 1201 CB SER A 73 -4.370 1.977 -1.284 1.00 0.00 C ATOM 1202 OG SER A 73 -5.263 3.026 -1.651 1.00 0.00 O ATOM 0 H SER A 73 -2.252 3.461 0.022 1.00 0.00 H new ATOM 0 HA SER A 73 -4.625 2.007 0.798 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.555 1.927 -2.006 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.895 1.023 -1.329 1.00 0.00 H new ATOM 0 HG SER A 73 -5.606 2.862 -2.554 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.740 0.494 1.234 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.765 -0.473 1.595 1.00 0.00 C ATOM 1210 C TYR A 74 -2.385 -1.795 1.308 1.00 0.00 C ATOM 1211 O TYR A 74 -3.194 -2.291 2.087 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.508 -0.386 3.068 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.701 0.760 3.601 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.293 1.970 3.862 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.638 0.608 3.906 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.578 3.007 4.409 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.362 1.648 4.448 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.744 2.843 4.698 1.00 0.00 C ATOM 1219 OH TYR A 74 1.449 3.888 5.246 1.00 0.00 O ATOM 0 H TYR A 74 -3.546 0.495 1.859 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.829 -0.323 1.056 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.475 -0.368 3.570 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -1.010 -1.307 3.370 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.339 2.109 3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.124 -0.338 3.717 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.062 3.951 4.610 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.410 1.521 4.674 1.00 0.00 H new ATOM 0 HH TYR A 74 2.294 3.555 5.613 1.00 0.00 H new ATOM 1229 N GLY A 75 -2.096 -2.334 0.192 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.764 -3.531 -0.154 1.00 0.00 C ATOM 1231 C GLY A 75 -1.943 -4.720 -0.169 1.00 0.00 C ATOM 1232 O GLY A 75 -2.404 -5.716 -0.583 1.00 0.00 O ATOM 0 H GLY A 75 -1.420 -1.982 -0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.583 -3.685 0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.209 -3.406 -1.141 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.746 -4.638 0.357 1.00 0.00 N ATOM 1237 CA TYR A 76 0.166 -5.801 0.397 1.00 0.00 C ATOM 1238 C TYR A 76 0.253 -6.510 -0.985 1.00 0.00 C ATOM 1239 O TYR A 76 -0.450 -7.454 -1.287 1.00 0.00 O ATOM 1240 CB TYR A 76 -0.108 -6.776 1.623 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.420 -6.496 2.365 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -1.511 -5.492 3.333 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -2.576 -7.182 2.038 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -2.716 -5.193 3.926 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -3.778 -6.896 2.638 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.848 -5.894 3.574 1.00 0.00 C ATOM 1247 OH TYR A 76 -5.060 -5.595 4.165 1.00 0.00 O ATOM 0 H TYR A 76 -0.362 -3.787 0.768 1.00 0.00 H new ATOM 0 HA TYR A 76 1.166 -5.416 0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.121 -7.804 1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.720 -6.697 2.328 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.625 -4.944 3.619 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.532 -7.962 1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.774 -4.409 4.667 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.663 -7.456 2.375 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.787 -5.790 3.537 1.00 0.00 H new ATOM 1257 N ILE A 77 1.087 -5.948 -1.805 1.00 0.00 N ATOM 1258 CA ILE A 77 1.314 -6.329 -3.180 1.00 0.00 C ATOM 1259 C ILE A 77 1.953 -7.645 -3.328 1.00 0.00 C ATOM 1260 O ILE A 77 2.830 -8.004 -2.560 1.00 0.00 O ATOM 1261 CB ILE A 77 2.307 -5.367 -3.852 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.407 -4.929 -2.867 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.632 -4.204 -4.488 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.422 -3.989 -3.442 1.00 0.00 C ATOM 0 H ILE A 77 1.668 -5.160 -1.521 1.00 0.00 H new ATOM 0 HA ILE A 77 0.319 -6.323 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 77 2.788 -5.916 -4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.937 -4.453 -2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.921 -5.817 -2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.379 -3.557 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.939 -4.558 -5.252 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.082 -3.644 -3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.157 -3.735 -2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.924 -4.466 -4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.925 -3.081 -3.783 1.00 0.00 H new ATOM 1276 N LYS A 78 1.595 -8.334 -4.360 1.00 0.00 N ATOM 1277 CA LYS A 78 2.364 -9.418 -4.727 1.00 0.00 C ATOM 1278 C LYS A 78 3.503 -8.755 -5.510 1.00 0.00 C ATOM 1279 O LYS A 78 3.293 -8.044 -6.485 1.00 0.00 O ATOM 1280 CB LYS A 78 1.598 -10.479 -5.562 1.00 0.00 C ATOM 1281 CG LYS A 78 1.159 -10.000 -6.918 1.00 0.00 C ATOM 1282 CD LYS A 78 0.721 -11.153 -7.839 1.00 0.00 C ATOM 1283 CE LYS A 78 -0.501 -11.910 -7.334 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.735 -11.122 -7.446 1.00 0.00 N ATOM 0 H LYS A 78 0.779 -8.149 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 78 2.701 -10.003 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.235 -11.355 -5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.720 -10.801 -5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.333 -9.299 -6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.977 -9.454 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.506 -10.753 -8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.550 -11.852 -7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.611 -12.835 -7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.346 -12.191 -6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.466 -11.532 -6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.548 -10.141 -7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.066 -11.134 -8.432 1.00 0.00 H new ATOM 1298 N THR A 79 4.611 -8.853 -4.937 1.00 0.00 N ATOM 1299 CA THR A 79 5.909 -8.303 -5.370 1.00 0.00 C ATOM 1300 C THR A 79 6.117 -8.330 -6.901 1.00 0.00 C ATOM 1301 O THR A 79 6.663 -7.399 -7.474 1.00 0.00 O ATOM 1302 CB THR A 79 7.056 -9.128 -4.719 1.00 0.00 C ATOM 1303 OG1 THR A 79 7.066 -10.458 -5.255 1.00 0.00 O ATOM 1304 CG2 THR A 79 6.850 -9.244 -3.229 1.00 0.00 C ATOM 0 H THR A 79 4.698 -9.363 -4.058 1.00 0.00 H new ATOM 0 HA THR A 79 5.918 -7.260 -5.054 1.00 0.00 H new ATOM 0 HB THR A 79 7.994 -8.615 -4.930 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.791 -10.972 -4.842 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.663 -9.825 -2.793 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.836 -8.249 -2.785 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.901 -9.743 -3.031 1.00 0.00 H new ATOM 1312 N THR A 80 5.637 -9.363 -7.532 1.00 0.00 N ATOM 1313 CA THR A 80 5.771 -9.568 -8.947 1.00 0.00 C ATOM 1314 C THR A 80 4.915 -8.557 -9.777 1.00 0.00 C ATOM 1315 O THR A 80 5.066 -8.463 -11.002 1.00 0.00 O ATOM 1316 CB THR A 80 5.398 -11.038 -9.280 1.00 0.00 C ATOM 1317 OG1 THR A 80 5.545 -11.323 -10.678 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.981 -11.338 -8.821 1.00 0.00 C ATOM 0 H THR A 80 5.125 -10.110 -7.062 1.00 0.00 H new ATOM 0 HA THR A 80 6.807 -9.383 -9.229 1.00 0.00 H new ATOM 0 HB THR A 80 6.091 -11.685 -8.742 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.498 -10.488 -11.189 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.732 -12.372 -9.061 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.908 -11.187 -7.744 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.285 -10.670 -9.329 1.00 0.00 H new ATOM 1326 N ALA A 81 4.038 -7.794 -9.118 1.00 0.00 N ATOM 1327 CA ALA A 81 3.239 -6.818 -9.818 1.00 0.00 C ATOM 1328 C ALA A 81 3.939 -5.466 -9.804 1.00 0.00 C ATOM 1329 O ALA A 81 3.497 -4.505 -10.447 1.00 0.00 O ATOM 1330 CB ALA A 81 1.856 -6.721 -9.194 1.00 0.00 C ATOM 0 H ALA A 81 3.873 -7.841 -8.112 1.00 0.00 H new ATOM 0 HA ALA A 81 3.120 -7.133 -10.855 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.265 -5.981 -9.733 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.362 -7.691 -9.251 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.948 -6.422 -8.150 1.00 0.00 H new ATOM 1336 N VAL A 82 5.038 -5.383 -9.074 1.00 0.00 N ATOM 1337 CA VAL A 82 5.773 -4.140 -8.981 1.00 0.00 C ATOM 1338 C VAL A 82 7.244 -4.321 -9.221 1.00 0.00 C ATOM 1339 O VAL A 82 7.779 -5.436 -9.186 1.00 0.00 O ATOM 1340 CB VAL A 82 5.595 -3.418 -7.620 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.177 -2.967 -7.433 1.00 0.00 C ATOM 1342 CG2 VAL A 82 6.034 -4.302 -6.456 1.00 0.00 C ATOM 0 H VAL A 82 5.436 -6.157 -8.542 1.00 0.00 H new ATOM 0 HA VAL A 82 5.343 -3.521 -9.768 1.00 0.00 H new ATOM 0 HB VAL A 82 6.238 -2.538 -7.632 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.079 -2.464 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.906 -2.277 -8.233 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.514 -3.832 -7.459 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.895 -3.764 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.435 -5.212 -6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.086 -4.562 -6.573 1.00 0.00 H new ATOM 1352 N GLU A 83 7.871 -3.221 -9.494 1.00 0.00 N ATOM 1353 CA GLU A 83 9.300 -3.131 -9.607 1.00 0.00 C ATOM 1354 C GLU A 83 9.718 -1.956 -8.765 1.00 0.00 C ATOM 1355 O GLU A 83 9.345 -0.824 -9.073 1.00 0.00 O ATOM 1356 CB GLU A 83 9.717 -2.902 -11.057 1.00 0.00 C ATOM 1357 CG GLU A 83 9.360 -4.043 -11.998 1.00 0.00 C ATOM 1358 CD GLU A 83 9.859 -3.820 -13.400 1.00 0.00 C ATOM 1359 OE1 GLU A 83 11.040 -4.113 -13.674 1.00 0.00 O ATOM 1360 OE2 GLU A 83 9.083 -3.348 -14.262 1.00 0.00 O ATOM 0 H GLU A 83 7.393 -2.333 -9.650 1.00 0.00 H new ATOM 0 HA GLU A 83 9.773 -4.055 -9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.246 -1.988 -11.418 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.794 -2.741 -11.092 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.780 -4.972 -11.611 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.277 -4.166 -12.018 1.00 0.00 H new ATOM 1367 N ILE A 84 10.402 -2.202 -7.669 1.00 0.00 N ATOM 1368 CA ILE A 84 10.789 -1.109 -6.796 1.00 0.00 C ATOM 1369 C ILE A 84 11.964 -0.328 -7.349 1.00 0.00 C ATOM 1370 O ILE A 84 12.559 -0.697 -8.362 1.00 0.00 O ATOM 1371 CB ILE A 84 11.152 -1.533 -5.348 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.445 -2.348 -5.317 1.00 0.00 C ATOM 1373 CG2 ILE A 84 10.008 -2.307 -4.707 1.00 0.00 C ATOM 1374 CD1 ILE A 84 13.103 -2.342 -3.967 1.00 0.00 C ATOM 0 H ILE A 84 10.698 -3.129 -7.363 1.00 0.00 H new ATOM 0 HA ILE A 84 9.892 -0.492 -6.756 1.00 0.00 H new ATOM 0 HB ILE A 84 11.317 -0.626 -4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.228 -3.376 -5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 84 13.139 -1.949 -6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.286 -2.593 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.117 -1.680 -4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.801 -3.202 -5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 84 14.016 -2.936 -4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.348 -1.318 -3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.423 -2.768 -3.229 1.00 0.00 H new ATOM 1386 N ASP A 85 12.250 0.768 -6.710 1.00 0.00 N ATOM 1387 CA ASP A 85 13.442 1.539 -6.980 1.00 0.00 C ATOM 1388 C ASP A 85 14.638 0.744 -6.512 1.00 0.00 C ATOM 1389 O ASP A 85 14.867 0.597 -5.315 1.00 0.00 O ATOM 1390 CB ASP A 85 13.390 2.866 -6.227 1.00 0.00 C ATOM 1391 CG ASP A 85 14.611 3.741 -6.435 1.00 0.00 C ATOM 1392 OD1 ASP A 85 15.598 3.632 -5.673 1.00 0.00 O ATOM 1393 OD2 ASP A 85 14.588 4.586 -7.338 1.00 0.00 O ATOM 0 H ASP A 85 11.660 1.162 -5.977 1.00 0.00 H new ATOM 0 HA ASP A 85 13.514 1.745 -8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.503 3.416 -6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.278 2.664 -5.162 1.00 0.00 H new