USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 45 GLN : amide:sc= 0.702 K(o=1.7,f=-3.2!) USER MOD Set 1.2: A 83 HIS : no HE2:sc= 1.02 K(o=1.7,f=-2.4!) USER MOD Set 2.1: A 24 MET CE :methyl 157:sc= -1.08 (180deg=-1.15) USER MOD Set 2.2: A 79 GLN : amide:sc= -0.0206 K(o=-1.1,f=-1.7) USER MOD Single : A 23 THR OG1 : rot -63:sc= 0.0425 USER MOD Single : A 27 GLN : amide:sc= -0.0872 X(o=-0.087,f=0) USER MOD Single : A 28 CYS SG : rot 117:sc= 1.33 USER MOD Single : A 29 SER OG : rot -43:sc= 0.0691 USER MOD Single : A 32 MET CE :methyl 164:sc= -0.303 (180deg=-1.05) USER MOD Single : A 34 ASN : amide:sc= -0.348 K(o=-0.35,f=-4.8!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= -0.0106 (180deg=-0.164) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -172:sc= -1.4 (180deg=-1.67) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0171) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= 0.789 (180deg=0.683) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0355 USER MOD Single : A 72 THR OG1 : rot 137:sc= 1.25 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0025 USER MOD Single : A 89 GLN : amide:sc= -0.0637 X(o=-0.064,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 270 N GLY A 20 13.876 7.650 1.866 1.00 0.00 N ATOM 271 CA GLY A 20 14.238 7.486 0.477 1.00 0.00 C ATOM 272 C GLY A 20 13.789 6.124 -0.018 1.00 0.00 C ATOM 273 O GLY A 20 12.589 5.820 0.020 1.00 0.00 O ATOM 0 HA2 GLY A 20 13.777 8.270 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.317 7.588 0.359 1.00 0.00 H new ATOM 277 N PHE A 21 14.748 5.292 -0.421 1.00 0.00 N ATOM 278 CA PHE A 21 14.604 3.865 -0.695 1.00 0.00 C ATOM 279 C PHE A 21 15.825 3.181 -0.098 1.00 0.00 C ATOM 280 O PHE A 21 16.925 3.729 -0.213 1.00 0.00 O ATOM 281 CB PHE A 21 14.566 3.525 -2.201 1.00 0.00 C ATOM 282 CG PHE A 21 13.276 3.806 -2.946 1.00 0.00 C ATOM 283 CD1 PHE A 21 12.792 5.122 -3.085 1.00 0.00 C ATOM 284 CD2 PHE A 21 12.568 2.742 -3.539 1.00 0.00 C ATOM 285 CE1 PHE A 21 11.573 5.363 -3.738 1.00 0.00 C ATOM 286 CE2 PHE A 21 11.343 2.982 -4.179 1.00 0.00 C ATOM 287 CZ PHE A 21 10.844 4.288 -4.276 1.00 0.00 C ATOM 0 H PHE A 21 15.703 5.616 -0.574 1.00 0.00 H new ATOM 0 HA PHE A 21 13.658 3.533 -0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.366 4.079 -2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.796 2.466 -2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.361 5.949 -2.687 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.969 1.740 -3.501 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.196 6.371 -3.827 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.783 2.159 -4.598 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.898 4.469 -4.765 1.00 0.00 H new ATOM 297 N VAL A 22 15.635 1.995 0.477 1.00 0.00 N ATOM 298 CA VAL A 22 16.693 1.166 1.050 1.00 0.00 C ATOM 299 C VAL A 22 16.515 -0.247 0.478 1.00 0.00 C ATOM 300 O VAL A 22 15.406 -0.646 0.097 1.00 0.00 O ATOM 301 CB VAL A 22 16.626 1.207 2.598 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.813 0.495 3.267 1.00 0.00 C ATOM 303 CG2 VAL A 22 16.586 2.648 3.138 1.00 0.00 C ATOM 0 H VAL A 22 14.711 1.571 0.559 1.00 0.00 H new ATOM 0 HA VAL A 22 17.685 1.533 0.787 1.00 0.00 H new ATOM 0 HB VAL A 22 15.702 0.685 2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 22 17.711 0.557 4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 22 17.828 -0.552 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.743 0.974 2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.539 2.627 4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.484 3.180 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.706 3.159 2.747 1.00 0.00 H new ATOM 313 N THR A 23 17.613 -0.991 0.370 1.00 0.00 N ATOM 314 CA THR A 23 17.592 -2.369 -0.097 1.00 0.00 C ATOM 315 C THR A 23 17.096 -3.268 1.042 1.00 0.00 C ATOM 316 O THR A 23 17.433 -3.059 2.212 1.00 0.00 O ATOM 317 CB THR A 23 18.998 -2.772 -0.575 1.00 0.00 C ATOM 318 OG1 THR A 23 19.574 -1.738 -1.343 1.00 0.00 O ATOM 319 CG2 THR A 23 18.988 -4.029 -1.451 1.00 0.00 C ATOM 0 H THR A 23 18.545 -0.651 0.606 1.00 0.00 H new ATOM 0 HA THR A 23 16.913 -2.480 -0.942 1.00 0.00 H new ATOM 0 HB THR A 23 19.573 -2.968 0.330 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.035 -1.589 -2.148 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.006 -4.266 -1.759 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.577 -4.864 -0.884 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.374 -3.852 -2.334 1.00 0.00 H new ATOM 327 N MET A 24 16.326 -4.303 0.707 1.00 0.00 N ATOM 328 CA MET A 24 16.041 -5.423 1.577 1.00 0.00 C ATOM 329 C MET A 24 16.556 -6.678 0.906 1.00 0.00 C ATOM 330 O MET A 24 16.668 -6.768 -0.320 1.00 0.00 O ATOM 331 CB MET A 24 14.554 -5.549 1.901 1.00 0.00 C ATOM 332 CG MET A 24 14.033 -4.247 2.500 1.00 0.00 C ATOM 333 SD MET A 24 12.325 -4.235 3.121 1.00 0.00 S ATOM 334 CE MET A 24 12.299 -5.780 4.057 1.00 0.00 C ATOM 0 H MET A 24 15.875 -4.379 -0.205 1.00 0.00 H new ATOM 0 HA MET A 24 16.542 -5.265 2.532 1.00 0.00 H new ATOM 0 HB2 MET A 24 13.996 -5.790 0.996 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.395 -6.369 2.601 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.692 -3.967 3.322 1.00 0.00 H new ATOM 0 HG3 MET A 24 14.121 -3.469 1.742 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.513 -5.736 4.811 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.106 -6.612 3.380 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.262 -5.925 4.546 1.00 0.00 H new ATOM 344 N ILE A 25 16.894 -7.632 1.755 1.00 0.00 N ATOM 345 CA ILE A 25 17.596 -8.855 1.388 1.00 0.00 C ATOM 346 C ILE A 25 16.675 -10.011 1.756 1.00 0.00 C ATOM 347 O ILE A 25 16.039 -9.999 2.810 1.00 0.00 O ATOM 348 CB ILE A 25 18.987 -8.955 2.073 1.00 0.00 C ATOM 349 CG1 ILE A 25 20.033 -7.912 1.603 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.615 -10.344 1.836 1.00 0.00 C ATOM 351 CD1 ILE A 25 19.754 -6.463 2.005 1.00 0.00 C ATOM 0 H ILE A 25 16.682 -7.578 2.751 1.00 0.00 H new ATOM 0 HA ILE A 25 17.814 -8.873 0.320 1.00 0.00 H new ATOM 0 HB ILE A 25 18.769 -8.764 3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 25 21.007 -8.198 1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.104 -7.961 0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.588 -10.391 2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.963 -11.113 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 25 19.738 -10.510 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 25 20.548 -5.820 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 25 18.799 -6.147 1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.716 -6.388 3.092 1.00 0.00 H new ATOM 363 N LEU A 26 16.626 -11.010 0.879 1.00 0.00 N ATOM 364 CA LEU A 26 15.936 -12.278 1.062 1.00 0.00 C ATOM 365 C LEU A 26 16.998 -13.359 0.990 1.00 0.00 C ATOM 366 O LEU A 26 17.594 -13.558 -0.073 1.00 0.00 O ATOM 367 CB LEU A 26 14.899 -12.509 -0.052 1.00 0.00 C ATOM 368 CG LEU A 26 13.478 -12.067 0.313 1.00 0.00 C ATOM 369 CD1 LEU A 26 13.416 -10.563 0.606 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.517 -12.394 -0.823 1.00 0.00 C ATOM 0 H LEU A 26 17.093 -10.951 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 26 15.405 -12.287 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.216 -11.972 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.884 -13.569 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 26 13.187 -12.609 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.394 -10.284 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.076 -10.327 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.734 -10.007 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.511 -12.075 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.831 -11.872 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.520 -13.469 -1.004 1.00 0.00 H new ATOM 382 N GLN A 27 17.235 -14.059 2.096 1.00 0.00 N ATOM 383 CA GLN A 27 18.011 -15.287 2.099 1.00 0.00 C ATOM 384 C GLN A 27 17.033 -16.437 2.338 1.00 0.00 C ATOM 385 O GLN A 27 16.157 -16.342 3.203 1.00 0.00 O ATOM 386 CB GLN A 27 19.144 -15.201 3.130 1.00 0.00 C ATOM 387 CG GLN A 27 20.092 -14.018 2.827 1.00 0.00 C ATOM 388 CD GLN A 27 21.553 -14.310 3.159 1.00 0.00 C ATOM 389 OE1 GLN A 27 22.229 -13.585 3.887 1.00 0.00 O ATOM 390 NE2 GLN A 27 22.121 -15.351 2.585 1.00 0.00 N ATOM 0 H GLN A 27 16.891 -13.786 3.017 1.00 0.00 H new ATOM 0 HA GLN A 27 18.513 -15.459 1.147 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.722 -15.085 4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 27 19.710 -16.132 3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 27 20.012 -13.759 1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 27 19.766 -13.146 3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 27 21.573 -15.961 1.979 1.00 0.00 H new ATOM 0 HE22 GLN A 27 23.109 -15.547 2.747 1.00 0.00 H new ATOM 399 N CYS A 28 17.123 -17.480 1.514 1.00 0.00 N ATOM 400 CA CYS A 28 16.263 -18.651 1.540 1.00 0.00 C ATOM 401 C CYS A 28 17.130 -19.906 1.718 1.00 0.00 C ATOM 402 O CYS A 28 18.367 -19.828 1.717 1.00 0.00 O ATOM 403 CB CYS A 28 15.440 -18.652 0.242 1.00 0.00 C ATOM 404 SG CYS A 28 14.052 -19.811 0.310 1.00 0.00 S ATOM 0 H CYS A 28 17.830 -17.529 0.780 1.00 0.00 H new ATOM 0 HA CYS A 28 15.566 -18.638 2.378 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.062 -17.647 0.053 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.087 -18.912 -0.596 1.00 0.00 H new ATOM 0 HG CYS A 28 12.934 -19.155 0.219 1.00 0.00 H new ATOM 410 N SER A 29 16.492 -21.066 1.857 1.00 0.00 N ATOM 411 CA SER A 29 17.127 -22.375 1.990 1.00 0.00 C ATOM 412 C SER A 29 16.665 -23.320 0.863 1.00 0.00 C ATOM 413 O SER A 29 16.646 -24.544 1.023 1.00 0.00 O ATOM 414 CB SER A 29 16.910 -22.881 3.424 1.00 0.00 C ATOM 415 OG SER A 29 17.761 -23.967 3.729 1.00 0.00 O ATOM 0 H SER A 29 15.474 -21.122 1.881 1.00 0.00 H new ATOM 0 HA SER A 29 18.207 -22.318 1.853 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.090 -22.068 4.128 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.871 -23.186 3.549 1.00 0.00 H new ATOM 0 HG SER A 29 17.780 -24.590 2.973 1.00 0.00 H new ATOM 421 N ILE A 30 16.303 -22.760 -0.293 1.00 0.00 N ATOM 422 CA ILE A 30 16.236 -23.452 -1.578 1.00 0.00 C ATOM 423 C ILE A 30 16.984 -22.582 -2.582 1.00 0.00 C ATOM 424 O ILE A 30 17.170 -21.384 -2.351 1.00 0.00 O ATOM 425 CB ILE A 30 14.781 -23.696 -2.048 1.00 0.00 C ATOM 426 CG1 ILE A 30 13.913 -22.419 -2.024 1.00 0.00 C ATOM 427 CG2 ILE A 30 14.138 -24.817 -1.221 1.00 0.00 C ATOM 428 CD1 ILE A 30 12.709 -22.488 -2.968 1.00 0.00 C ATOM 0 H ILE A 30 16.039 -21.777 -0.361 1.00 0.00 H new ATOM 0 HA ILE A 30 16.686 -24.441 -1.486 1.00 0.00 H new ATOM 0 HB ILE A 30 14.831 -24.005 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 30 13.560 -22.247 -1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.531 -21.563 -2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.115 -24.979 -1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.712 -25.736 -1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.130 -24.534 -0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.142 -21.560 -2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.057 -22.629 -3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.071 -23.324 -2.683 1.00 0.00 H new ATOM 440 N GLU A 31 17.396 -23.170 -3.701 1.00 0.00 N ATOM 441 CA GLU A 31 17.774 -22.390 -4.865 1.00 0.00 C ATOM 442 C GLU A 31 16.496 -21.836 -5.468 1.00 0.00 C ATOM 443 O GLU A 31 15.471 -22.524 -5.479 1.00 0.00 O ATOM 444 CB GLU A 31 18.557 -23.258 -5.865 1.00 0.00 C ATOM 445 CG GLU A 31 19.811 -22.548 -6.396 1.00 0.00 C ATOM 446 CD GLU A 31 19.733 -22.210 -7.886 1.00 0.00 C ATOM 447 OE1 GLU A 31 18.878 -21.409 -8.329 1.00 0.00 O ATOM 448 OE2 GLU A 31 20.589 -22.750 -8.629 1.00 0.00 O ATOM 0 H GLU A 31 17.475 -24.180 -3.822 1.00 0.00 H new ATOM 0 HA GLU A 31 18.436 -21.568 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.847 -24.191 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.909 -23.519 -6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 31 19.966 -21.629 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 31 20.680 -23.182 -6.220 1.00 0.00 H new ATOM 455 N MET A 32 16.562 -20.607 -5.965 1.00 0.00 N ATOM 456 CA MET A 32 15.419 -19.888 -6.495 1.00 0.00 C ATOM 457 C MET A 32 15.626 -19.767 -8.007 1.00 0.00 C ATOM 458 O MET A 32 16.114 -18.737 -8.470 1.00 0.00 O ATOM 459 CB MET A 32 15.328 -18.534 -5.777 1.00 0.00 C ATOM 460 CG MET A 32 14.804 -18.681 -4.340 1.00 0.00 C ATOM 461 SD MET A 32 15.494 -17.520 -3.125 1.00 0.00 S ATOM 462 CE MET A 32 15.329 -15.932 -3.975 1.00 0.00 C ATOM 0 H MET A 32 17.431 -20.075 -6.010 1.00 0.00 H new ATOM 0 HA MET A 32 14.471 -20.399 -6.325 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.312 -18.066 -5.758 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.670 -17.870 -6.337 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.721 -18.561 -4.354 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.008 -19.697 -4.001 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.442 -15.121 -3.256 1.00 0.00 H new ATOM 0 HE2 MET A 32 16.100 -15.848 -4.741 1.00 0.00 H new ATOM 0 HE3 MET A 32 14.346 -15.869 -4.441 1.00 0.00 H new ATOM 472 N PRO A 33 15.298 -20.797 -8.807 1.00 0.00 N ATOM 473 CA PRO A 33 15.585 -20.815 -10.241 1.00 0.00 C ATOM 474 C PRO A 33 14.736 -19.816 -11.036 1.00 0.00 C ATOM 475 O PRO A 33 15.045 -19.515 -12.193 1.00 0.00 O ATOM 476 CB PRO A 33 15.307 -22.254 -10.688 1.00 0.00 C ATOM 477 CG PRO A 33 14.283 -22.749 -9.676 1.00 0.00 C ATOM 478 CD PRO A 33 14.760 -22.082 -8.397 1.00 0.00 C ATOM 0 HA PRO A 33 16.615 -20.511 -10.429 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.916 -22.290 -11.705 1.00 0.00 H new ATOM 0 HB3 PRO A 33 16.212 -22.861 -10.673 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.269 -22.448 -9.940 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.282 -23.836 -9.594 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.940 -21.957 -7.690 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.520 -22.685 -7.900 1.00 0.00 H new ATOM 486 N ASN A 34 13.668 -19.281 -10.443 1.00 0.00 N ATOM 487 CA ASN A 34 12.871 -18.210 -11.021 1.00 0.00 C ATOM 488 C ASN A 34 12.533 -17.195 -9.950 1.00 0.00 C ATOM 489 O ASN A 34 12.519 -17.491 -8.757 1.00 0.00 O ATOM 490 CB ASN A 34 11.594 -18.722 -11.699 1.00 0.00 C ATOM 491 CG ASN A 34 10.591 -19.273 -10.695 1.00 0.00 C ATOM 492 OD1 ASN A 34 9.830 -18.522 -10.099 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.551 -20.571 -10.465 1.00 0.00 N ATOM 0 H ASN A 34 13.330 -19.589 -9.531 1.00 0.00 H new ATOM 0 HA ASN A 34 13.469 -17.740 -11.801 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.133 -17.910 -12.262 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.853 -19.501 -12.416 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.886 -20.949 -9.790 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.185 -21.197 -10.962 1.00 0.00 H new ATOM 500 N ILE A 35 12.259 -15.985 -10.414 1.00 0.00 N ATOM 501 CA ILE A 35 12.004 -14.808 -9.605 1.00 0.00 C ATOM 502 C ILE A 35 10.658 -14.885 -8.874 1.00 0.00 C ATOM 503 O ILE A 35 10.500 -14.272 -7.815 1.00 0.00 O ATOM 504 CB ILE A 35 12.177 -13.583 -10.535 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.128 -12.263 -9.756 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.185 -13.546 -11.714 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.226 -11.283 -10.180 1.00 0.00 C ATOM 0 H ILE A 35 12.206 -15.790 -11.414 1.00 0.00 H new ATOM 0 HA ILE A 35 12.715 -14.724 -8.783 1.00 0.00 H new ATOM 0 HB ILE A 35 13.170 -13.701 -10.969 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.154 -11.796 -9.902 1.00 0.00 H new ATOM 0 HG13 ILE A 35 12.225 -12.471 -8.690 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.371 -12.658 -12.318 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.316 -14.437 -12.328 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.165 -13.517 -11.331 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.142 -10.367 -9.595 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.203 -11.735 -10.008 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.116 -11.049 -11.239 1.00 0.00 H new ATOM 519 N SER A 36 9.702 -15.660 -9.389 1.00 0.00 N ATOM 520 CA SER A 36 8.386 -15.796 -8.793 1.00 0.00 C ATOM 521 C SER A 36 8.412 -16.565 -7.468 1.00 0.00 C ATOM 522 O SER A 36 7.467 -16.410 -6.702 1.00 0.00 O ATOM 523 CB SER A 36 7.422 -16.462 -9.776 1.00 0.00 C ATOM 524 OG SER A 36 7.519 -15.876 -11.063 1.00 0.00 O ATOM 0 H SER A 36 9.827 -16.212 -10.238 1.00 0.00 H new ATOM 0 HA SER A 36 8.035 -14.789 -8.568 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.642 -17.527 -9.841 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.400 -16.370 -9.407 1.00 0.00 H new ATOM 0 HG SER A 36 6.894 -16.321 -11.673 1.00 0.00 H new ATOM 530 N TYR A 37 9.464 -17.339 -7.160 1.00 0.00 N ATOM 531 CA TYR A 37 9.596 -18.012 -5.870 1.00 0.00 C ATOM 532 C TYR A 37 9.477 -16.997 -4.733 1.00 0.00 C ATOM 533 O TYR A 37 8.653 -17.188 -3.836 1.00 0.00 O ATOM 534 CB TYR A 37 10.922 -18.785 -5.782 1.00 0.00 C ATOM 535 CG TYR A 37 10.812 -20.256 -6.100 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.309 -21.134 -5.127 1.00 0.00 C ATOM 537 CD2 TYR A 37 11.239 -20.747 -7.346 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.217 -22.508 -5.393 1.00 0.00 C ATOM 539 CE2 TYR A 37 11.131 -22.119 -7.631 1.00 0.00 C ATOM 540 CZ TYR A 37 10.620 -22.997 -6.651 1.00 0.00 C ATOM 541 OH TYR A 37 10.511 -24.318 -6.930 1.00 0.00 O ATOM 0 H TYR A 37 10.241 -17.512 -7.798 1.00 0.00 H new ATOM 0 HA TYR A 37 8.787 -18.736 -5.774 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.639 -18.331 -6.467 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.327 -18.673 -4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.991 -20.750 -4.169 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.649 -20.072 -8.082 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.841 -23.185 -4.640 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.437 -22.499 -8.594 1.00 0.00 H new ATOM 0 HH TYR A 37 10.832 -24.488 -7.840 1.00 0.00 H new ATOM 551 N ALA A 38 10.253 -15.910 -4.788 1.00 0.00 N ATOM 552 CA ALA A 38 10.200 -14.882 -3.760 1.00 0.00 C ATOM 553 C ALA A 38 8.885 -14.110 -3.825 1.00 0.00 C ATOM 554 O ALA A 38 8.291 -13.840 -2.784 1.00 0.00 O ATOM 555 CB ALA A 38 11.375 -13.924 -3.916 1.00 0.00 C ATOM 0 H ALA A 38 10.922 -15.725 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 38 10.262 -15.370 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.326 -13.159 -3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.310 -14.476 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.331 -13.451 -4.897 1.00 0.00 H new ATOM 561 N TRP A 39 8.424 -13.757 -5.033 1.00 0.00 N ATOM 562 CA TRP A 39 7.174 -13.019 -5.188 1.00 0.00 C ATOM 563 C TRP A 39 6.009 -13.771 -4.553 1.00 0.00 C ATOM 564 O TRP A 39 5.200 -13.126 -3.898 1.00 0.00 O ATOM 565 CB TRP A 39 6.851 -12.726 -6.656 1.00 0.00 C ATOM 566 CG TRP A 39 7.604 -11.605 -7.305 1.00 0.00 C ATOM 567 CD1 TRP A 39 8.534 -11.722 -8.280 1.00 0.00 C ATOM 568 CD2 TRP A 39 7.433 -10.174 -7.089 1.00 0.00 C ATOM 569 NE1 TRP A 39 8.933 -10.467 -8.696 1.00 0.00 N ATOM 570 CE2 TRP A 39 8.267 -9.477 -8.013 1.00 0.00 C ATOM 571 CE3 TRP A 39 6.651 -9.393 -6.208 1.00 0.00 C ATOM 572 CZ2 TRP A 39 8.307 -8.079 -8.079 1.00 0.00 C ATOM 573 CZ3 TRP A 39 6.672 -7.984 -6.283 1.00 0.00 C ATOM 574 CH2 TRP A 39 7.490 -7.330 -7.221 1.00 0.00 C ATOM 0 H TRP A 39 8.899 -13.972 -5.910 1.00 0.00 H new ATOM 0 HA TRP A 39 7.314 -12.068 -4.674 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.032 -13.634 -7.231 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.786 -12.508 -6.732 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.908 -12.656 -8.674 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.633 -10.296 -9.418 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.031 -9.880 -5.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.960 -7.584 -8.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.054 -7.403 -5.614 1.00 0.00 H new ATOM 0 HH2 TRP A 39 7.489 -6.252 -7.280 1.00 0.00 H new ATOM 585 N LYS A 40 5.910 -15.092 -4.734 1.00 0.00 N ATOM 586 CA LYS A 40 4.841 -15.908 -4.168 1.00 0.00 C ATOM 587 C LYS A 40 4.778 -15.745 -2.659 1.00 0.00 C ATOM 588 O LYS A 40 3.715 -15.415 -2.140 1.00 0.00 O ATOM 589 CB LYS A 40 5.019 -17.371 -4.549 1.00 0.00 C ATOM 590 CG LYS A 40 4.449 -17.595 -5.952 1.00 0.00 C ATOM 591 CD LYS A 40 4.770 -18.990 -6.470 1.00 0.00 C ATOM 592 CE LYS A 40 3.715 -20.067 -6.174 1.00 0.00 C ATOM 593 NZ LYS A 40 3.478 -20.322 -4.736 1.00 0.00 N ATOM 0 H LYS A 40 6.581 -15.627 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 40 3.894 -15.563 -4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.075 -17.640 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.510 -18.012 -3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.368 -17.453 -5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.857 -16.850 -6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.913 -18.933 -7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.719 -19.309 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.773 -19.771 -6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.024 -20.999 -6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.871 -21.160 -4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.387 -20.488 -4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.009 -19.497 -4.310 1.00 0.00 H new ATOM 607 N GLU A 41 5.901 -15.976 -1.974 1.00 0.00 N ATOM 608 CA GLU A 41 5.983 -15.882 -0.521 1.00 0.00 C ATOM 609 C GLU A 41 5.612 -14.462 -0.085 1.00 0.00 C ATOM 610 O GLU A 41 4.776 -14.267 0.797 1.00 0.00 O ATOM 611 CB GLU A 41 7.410 -16.227 -0.056 1.00 0.00 C ATOM 612 CG GLU A 41 7.451 -16.727 1.399 1.00 0.00 C ATOM 613 CD GLU A 41 7.001 -18.185 1.593 1.00 0.00 C ATOM 614 OE1 GLU A 41 6.690 -18.895 0.609 1.00 0.00 O ATOM 615 OE2 GLU A 41 6.994 -18.648 2.762 1.00 0.00 O ATOM 0 H GLU A 41 6.782 -16.235 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 41 5.288 -16.589 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.827 -16.991 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.043 -15.345 -0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.468 -16.622 1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.818 -16.082 2.008 1.00 0.00 H new ATOM 622 N LEU A 42 6.223 -13.455 -0.722 1.00 0.00 N ATOM 623 CA LEU A 42 6.024 -12.064 -0.362 1.00 0.00 C ATOM 624 C LEU A 42 4.583 -11.630 -0.572 1.00 0.00 C ATOM 625 O LEU A 42 4.071 -10.827 0.198 1.00 0.00 O ATOM 626 CB LEU A 42 6.943 -11.156 -1.188 1.00 0.00 C ATOM 627 CG LEU A 42 8.415 -11.204 -0.756 1.00 0.00 C ATOM 628 CD1 LEU A 42 9.264 -10.399 -1.736 1.00 0.00 C ATOM 629 CD2 LEU A 42 8.594 -10.584 0.624 1.00 0.00 C ATOM 0 H LEU A 42 6.868 -13.592 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 42 6.266 -11.971 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.873 -11.442 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.586 -10.129 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 42 8.724 -12.249 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.309 -10.435 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.167 -10.823 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.924 -9.363 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.645 -10.629 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.269 -9.544 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.997 -11.135 1.351 1.00 0.00 H new ATOM 641 N LYS A 43 3.933 -12.119 -1.625 1.00 0.00 N ATOM 642 CA LYS A 43 2.538 -11.831 -1.895 1.00 0.00 C ATOM 643 C LYS A 43 1.690 -12.417 -0.778 1.00 0.00 C ATOM 644 O LYS A 43 0.860 -11.706 -0.218 1.00 0.00 O ATOM 645 CB LYS A 43 2.138 -12.433 -3.249 1.00 0.00 C ATOM 646 CG LYS A 43 2.508 -11.534 -4.437 1.00 0.00 C ATOM 647 CD LYS A 43 2.491 -12.356 -5.729 1.00 0.00 C ATOM 648 CE LYS A 43 2.871 -11.453 -6.900 1.00 0.00 C ATOM 649 NZ LYS A 43 3.083 -12.211 -8.143 1.00 0.00 N ATOM 0 H LYS A 43 4.368 -12.730 -2.316 1.00 0.00 H new ATOM 0 HA LYS A 43 2.379 -10.753 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.624 -13.401 -3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.063 -12.613 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.804 -10.705 -4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.496 -11.100 -4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.190 -13.189 -5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.501 -12.784 -5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.085 -10.715 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.779 -10.904 -6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.339 -11.556 -8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.851 -12.898 -8.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.209 -12.715 -8.396 1.00 0.00 H new ATOM 663 N GLU A 44 1.911 -13.689 -0.448 1.00 0.00 N ATOM 664 CA GLU A 44 1.133 -14.414 0.548 1.00 0.00 C ATOM 665 C GLU A 44 1.211 -13.758 1.927 1.00 0.00 C ATOM 666 O GLU A 44 0.311 -13.946 2.746 1.00 0.00 O ATOM 667 CB GLU A 44 1.642 -15.863 0.639 1.00 0.00 C ATOM 668 CG GLU A 44 0.479 -16.858 0.638 1.00 0.00 C ATOM 669 CD GLU A 44 0.978 -18.290 0.813 1.00 0.00 C ATOM 670 OE1 GLU A 44 1.292 -18.976 -0.185 1.00 0.00 O ATOM 671 OE2 GLU A 44 1.081 -18.757 1.968 1.00 0.00 O ATOM 0 H GLU A 44 2.648 -14.251 -0.874 1.00 0.00 H new ATOM 0 HA GLU A 44 0.090 -14.397 0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.304 -16.072 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.231 -15.988 1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.215 -16.611 1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.074 -16.774 -0.298 1.00 0.00 H new ATOM 678 N GLN A 45 2.272 -12.996 2.202 1.00 0.00 N ATOM 679 CA GLN A 45 2.523 -12.404 3.505 1.00 0.00 C ATOM 680 C GLN A 45 2.370 -10.889 3.529 1.00 0.00 C ATOM 681 O GLN A 45 2.260 -10.339 4.625 1.00 0.00 O ATOM 682 CB GLN A 45 3.913 -12.859 3.956 1.00 0.00 C ATOM 683 CG GLN A 45 3.850 -14.238 4.623 1.00 0.00 C ATOM 684 CD GLN A 45 4.376 -14.142 6.051 1.00 0.00 C ATOM 685 OE1 GLN A 45 3.963 -13.301 6.844 1.00 0.00 O ATOM 686 NE2 GLN A 45 5.357 -14.942 6.377 1.00 0.00 N ATOM 0 H GLN A 45 2.988 -12.773 1.511 1.00 0.00 H new ATOM 0 HA GLN A 45 1.764 -12.751 4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.584 -12.897 3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.329 -12.132 4.654 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.823 -14.604 4.627 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.442 -14.955 4.054 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.692 -15.637 5.710 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.788 -14.871 7.299 1.00 0.00 H new ATOM 695 N LEU A 46 2.318 -10.206 2.383 1.00 0.00 N ATOM 696 CA LEU A 46 2.124 -8.757 2.351 1.00 0.00 C ATOM 697 C LEU A 46 0.801 -8.357 1.706 1.00 0.00 C ATOM 698 O LEU A 46 0.531 -7.157 1.595 1.00 0.00 O ATOM 699 CB LEU A 46 3.299 -8.031 1.667 1.00 0.00 C ATOM 700 CG LEU A 46 4.719 -8.161 2.271 1.00 0.00 C ATOM 701 CD1 LEU A 46 5.512 -6.925 1.842 1.00 0.00 C ATOM 702 CD2 LEU A 46 4.813 -8.439 3.771 1.00 0.00 C ATOM 0 H LEU A 46 2.408 -10.636 1.463 1.00 0.00 H new ATOM 0 HA LEU A 46 2.090 -8.439 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.347 -8.382 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.053 -6.970 1.631 1.00 0.00 H new ATOM 0 HG LEU A 46 5.154 -9.077 1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.521 -6.981 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.562 -6.884 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.018 -6.028 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.861 -8.507 4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.334 -7.629 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.311 -9.379 3.999 1.00 0.00 H new ATOM 714 N GLY A 47 -0.031 -9.304 1.285 1.00 0.00 N ATOM 715 CA GLY A 47 -1.159 -9.021 0.420 1.00 0.00 C ATOM 716 C GLY A 47 -0.640 -9.013 -1.009 1.00 0.00 C ATOM 717 O GLY A 47 0.349 -8.341 -1.325 1.00 0.00 O ATOM 0 H GLY A 47 0.062 -10.288 1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.936 -9.775 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.605 -8.059 0.672 1.00 0.00 H new ATOM 721 N GLU A 48 -1.295 -9.793 -1.859 1.00 0.00 N ATOM 722 CA GLU A 48 -0.885 -10.174 -3.183 1.00 0.00 C ATOM 723 C GLU A 48 -0.660 -8.996 -4.134 1.00 0.00 C ATOM 724 O GLU A 48 -0.003 -9.159 -5.156 1.00 0.00 O ATOM 725 CB GLU A 48 -1.994 -11.088 -3.710 1.00 0.00 C ATOM 726 CG GLU A 48 -1.445 -12.189 -4.605 1.00 0.00 C ATOM 727 CD GLU A 48 -2.521 -12.861 -5.460 1.00 0.00 C ATOM 728 OE1 GLU A 48 -3.577 -12.227 -5.685 1.00 0.00 O ATOM 729 OE2 GLU A 48 -2.281 -13.989 -5.954 1.00 0.00 O ATOM 0 H GLU A 48 -2.196 -10.202 -1.610 1.00 0.00 H new ATOM 0 HA GLU A 48 0.086 -10.667 -3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.526 -11.535 -2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.719 -10.495 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.680 -11.770 -5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.958 -12.943 -3.986 1.00 0.00 H new ATOM 736 N GLU A 49 -1.165 -7.804 -3.831 1.00 0.00 N ATOM 737 CA GLU A 49 -1.147 -6.656 -4.731 1.00 0.00 C ATOM 738 C GLU A 49 0.144 -5.816 -4.597 1.00 0.00 C ATOM 739 O GLU A 49 0.195 -4.645 -4.981 1.00 0.00 O ATOM 740 CB GLU A 49 -2.427 -5.819 -4.512 1.00 0.00 C ATOM 741 CG GLU A 49 -3.750 -6.617 -4.582 1.00 0.00 C ATOM 742 CD GLU A 49 -4.251 -7.161 -3.228 1.00 0.00 C ATOM 743 OE1 GLU A 49 -3.447 -7.445 -2.305 1.00 0.00 O ATOM 744 OE2 GLU A 49 -5.483 -7.273 -3.049 1.00 0.00 O ATOM 0 H GLU A 49 -1.608 -7.605 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.140 -7.019 -5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.364 -5.334 -3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.458 -5.027 -5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.522 -5.976 -5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.617 -7.454 -5.267 1.00 0.00 H new ATOM 751 N ILE A 50 1.187 -6.395 -3.999 1.00 0.00 N ATOM 752 CA ILE A 50 2.456 -5.756 -3.642 1.00 0.00 C ATOM 753 C ILE A 50 3.290 -5.299 -4.862 1.00 0.00 C ATOM 754 O ILE A 50 4.132 -4.407 -4.751 1.00 0.00 O ATOM 755 CB ILE A 50 3.202 -6.706 -2.677 1.00 0.00 C ATOM 756 CG1 ILE A 50 4.478 -6.087 -2.084 1.00 0.00 C ATOM 757 CG2 ILE A 50 3.507 -8.088 -3.290 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.218 -4.860 -1.207 1.00 0.00 C ATOM 0 H ILE A 50 1.168 -7.380 -3.735 1.00 0.00 H new ATOM 0 HA ILE A 50 2.262 -4.812 -3.132 1.00 0.00 H new ATOM 0 HB ILE A 50 2.500 -6.862 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.996 -6.842 -1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.146 -5.806 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.031 -8.703 -2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.573 -8.575 -3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.132 -7.964 -4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.165 -4.479 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.728 -4.087 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.575 -5.139 -0.372 1.00 0.00 H new ATOM 770 N ASP A 51 3.055 -5.860 -6.051 1.00 0.00 N ATOM 771 CA ASP A 51 3.843 -5.666 -7.276 1.00 0.00 C ATOM 772 C ASP A 51 3.887 -4.238 -7.820 1.00 0.00 C ATOM 773 O ASP A 51 4.632 -4.014 -8.771 1.00 0.00 O ATOM 774 CB ASP A 51 3.384 -6.596 -8.411 1.00 0.00 C ATOM 775 CG ASP A 51 1.908 -6.407 -8.763 1.00 0.00 C ATOM 776 OD1 ASP A 51 1.563 -5.391 -9.425 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.118 -7.278 -8.364 1.00 0.00 O ATOM 0 H ASP A 51 2.270 -6.495 -6.195 1.00 0.00 H new ATOM 0 HA ASP A 51 4.853 -5.913 -6.950 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.992 -6.410 -9.297 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.555 -7.632 -8.119 1.00 0.00 H new ATOM 782 N SER A 52 3.160 -3.269 -7.263 1.00 0.00 N ATOM 783 CA SER A 52 3.314 -1.861 -7.636 1.00 0.00 C ATOM 784 C SER A 52 4.169 -1.063 -6.632 1.00 0.00 C ATOM 785 O SER A 52 4.282 0.158 -6.762 1.00 0.00 O ATOM 786 CB SER A 52 1.948 -1.252 -7.910 1.00 0.00 C ATOM 787 OG SER A 52 1.327 -1.900 -9.010 1.00 0.00 O ATOM 0 H SER A 52 2.453 -3.435 -6.546 1.00 0.00 H new ATOM 0 HA SER A 52 3.887 -1.806 -8.562 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.319 -1.342 -7.025 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.053 -0.187 -8.119 1.00 0.00 H new ATOM 0 HG SER A 52 0.448 -1.498 -9.173 1.00 0.00 H new ATOM 793 N LYS A 53 4.786 -1.704 -5.628 1.00 0.00 N ATOM 794 CA LYS A 53 5.579 -1.019 -4.593 1.00 0.00 C ATOM 795 C LYS A 53 7.086 -1.264 -4.697 1.00 0.00 C ATOM 796 O LYS A 53 7.848 -0.473 -4.140 1.00 0.00 O ATOM 797 CB LYS A 53 5.059 -1.425 -3.200 1.00 0.00 C ATOM 798 CG LYS A 53 3.653 -0.876 -2.894 1.00 0.00 C ATOM 799 CD LYS A 53 3.700 0.617 -2.535 1.00 0.00 C ATOM 800 CE LYS A 53 2.292 1.189 -2.365 1.00 0.00 C ATOM 801 NZ LYS A 53 2.341 2.532 -1.753 1.00 0.00 N ATOM 0 H LYS A 53 4.749 -2.716 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 53 5.448 0.051 -4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.041 -2.513 -3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.755 -1.067 -2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.007 -1.023 -3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.214 -1.437 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.265 0.755 -1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.226 1.165 -3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.798 1.244 -3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.697 0.522 -1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.374 2.901 -1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.793 2.471 -0.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.891 3.171 -2.362 1.00 0.00 H new ATOM 815 N VAL A 54 7.542 -2.305 -5.394 1.00 0.00 N ATOM 816 CA VAL A 54 8.926 -2.777 -5.308 1.00 0.00 C ATOM 817 C VAL A 54 9.700 -2.379 -6.571 1.00 0.00 C ATOM 818 O VAL A 54 9.151 -2.430 -7.678 1.00 0.00 O ATOM 819 CB VAL A 54 8.923 -4.298 -5.037 1.00 0.00 C ATOM 820 CG1 VAL A 54 10.353 -4.821 -4.858 1.00 0.00 C ATOM 821 CG2 VAL A 54 8.091 -4.654 -3.790 1.00 0.00 C ATOM 0 H VAL A 54 6.962 -2.846 -6.035 1.00 0.00 H new ATOM 0 HA VAL A 54 9.447 -2.303 -4.476 1.00 0.00 H new ATOM 0 HB VAL A 54 8.467 -4.775 -5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.327 -5.894 -4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.928 -4.627 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.823 -4.315 -4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.114 -5.732 -3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.509 -4.152 -2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.060 -4.330 -3.936 1.00 0.00 H new ATOM 831 N LYS A 55 10.972 -1.985 -6.429 1.00 0.00 N ATOM 832 CA LYS A 55 11.868 -1.625 -7.538 1.00 0.00 C ATOM 833 C LYS A 55 12.416 -2.872 -8.241 1.00 0.00 C ATOM 834 O LYS A 55 11.924 -3.980 -8.021 1.00 0.00 O ATOM 835 CB LYS A 55 13.018 -0.753 -7.007 1.00 0.00 C ATOM 836 CG LYS A 55 12.570 0.547 -6.320 1.00 0.00 C ATOM 837 CD LYS A 55 11.957 1.590 -7.273 1.00 0.00 C ATOM 838 CE LYS A 55 12.893 1.981 -8.418 1.00 0.00 C ATOM 839 NZ LYS A 55 14.169 2.574 -7.966 1.00 0.00 N ATOM 0 H LYS A 55 11.419 -1.905 -5.516 1.00 0.00 H new ATOM 0 HA LYS A 55 11.298 -1.060 -8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.604 -1.339 -6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.679 -0.501 -7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.839 0.303 -5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.428 0.992 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.031 1.193 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.695 2.483 -6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.106 1.097 -9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.382 2.692 -9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.752 2.814 -8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.976 3.435 -7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.678 1.890 -7.370 1.00 0.00 H new ATOM 853 N GLY A 56 13.400 -2.702 -9.122 1.00 0.00 N ATOM 854 CA GLY A 56 13.980 -3.746 -9.945 1.00 0.00 C ATOM 855 C GLY A 56 14.728 -4.759 -9.089 1.00 0.00 C ATOM 856 O GLY A 56 15.913 -4.590 -8.811 1.00 0.00 O ATOM 0 H GLY A 56 13.829 -1.791 -9.284 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.194 -4.249 -10.508 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.661 -3.305 -10.673 1.00 0.00 H new ATOM 860 N MET A 57 14.015 -5.794 -8.661 1.00 0.00 N ATOM 861 CA MET A 57 14.519 -6.924 -7.901 1.00 0.00 C ATOM 862 C MET A 57 15.640 -7.628 -8.674 1.00 0.00 C ATOM 863 O MET A 57 15.457 -7.956 -9.852 1.00 0.00 O ATOM 864 CB MET A 57 13.318 -7.842 -7.636 1.00 0.00 C ATOM 865 CG MET A 57 13.706 -9.110 -6.872 1.00 0.00 C ATOM 866 SD MET A 57 12.405 -10.363 -6.743 1.00 0.00 S ATOM 867 CE MET A 57 11.008 -9.326 -6.269 1.00 0.00 C ATOM 0 H MET A 57 13.015 -5.868 -8.847 1.00 0.00 H new ATOM 0 HA MET A 57 14.960 -6.615 -6.954 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.566 -7.295 -7.068 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.861 -8.120 -8.586 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.572 -9.558 -7.360 1.00 0.00 H new ATOM 0 HG3 MET A 57 14.017 -8.828 -5.866 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.158 -9.957 -6.010 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.283 -8.716 -5.408 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.738 -8.677 -7.102 1.00 0.00 H new ATOM 877 N VAL A 58 16.768 -7.888 -8.013 1.00 0.00 N ATOM 878 CA VAL A 58 17.946 -8.500 -8.615 1.00 0.00 C ATOM 879 C VAL A 58 18.384 -9.710 -7.791 1.00 0.00 C ATOM 880 O VAL A 58 18.386 -9.695 -6.557 1.00 0.00 O ATOM 881 CB VAL A 58 19.080 -7.472 -8.820 1.00 0.00 C ATOM 882 CG1 VAL A 58 18.751 -6.527 -9.983 1.00 0.00 C ATOM 883 CG2 VAL A 58 19.405 -6.639 -7.570 1.00 0.00 C ATOM 0 H VAL A 58 16.888 -7.673 -7.023 1.00 0.00 H new ATOM 0 HA VAL A 58 17.687 -8.857 -9.612 1.00 0.00 H new ATOM 0 HB VAL A 58 19.967 -8.064 -9.046 1.00 0.00 H new ATOM 0 HG11 VAL A 58 19.563 -5.811 -10.111 1.00 0.00 H new ATOM 0 HG12 VAL A 58 18.630 -7.106 -10.899 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.826 -5.992 -9.767 1.00 0.00 H new ATOM 0 HG21 VAL A 58 20.211 -5.942 -7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.519 -6.082 -7.263 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.715 -7.301 -6.762 1.00 0.00 H new ATOM 893 N PHE A 59 18.732 -10.785 -8.492 1.00 0.00 N ATOM 894 CA PHE A 59 19.240 -12.008 -7.900 1.00 0.00 C ATOM 895 C PHE A 59 20.617 -11.768 -7.281 1.00 0.00 C ATOM 896 O PHE A 59 21.484 -11.138 -7.887 1.00 0.00 O ATOM 897 CB PHE A 59 19.257 -13.110 -8.961 1.00 0.00 C ATOM 898 CG PHE A 59 17.989 -13.941 -9.001 1.00 0.00 C ATOM 899 CD1 PHE A 59 17.702 -14.803 -7.926 1.00 0.00 C ATOM 900 CD2 PHE A 59 17.115 -13.891 -10.107 1.00 0.00 C ATOM 901 CE1 PHE A 59 16.565 -15.620 -7.959 1.00 0.00 C ATOM 902 CE2 PHE A 59 15.975 -14.711 -10.142 1.00 0.00 C ATOM 903 CZ PHE A 59 15.706 -15.577 -9.069 1.00 0.00 C ATOM 0 H PHE A 59 18.665 -10.826 -9.509 1.00 0.00 H new ATOM 0 HA PHE A 59 18.587 -12.333 -7.090 1.00 0.00 H new ATOM 0 HB2 PHE A 59 19.414 -12.657 -9.940 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.106 -13.768 -8.774 1.00 0.00 H new ATOM 0 HD1 PHE A 59 18.362 -14.835 -7.072 1.00 0.00 H new ATOM 0 HD2 PHE A 59 17.323 -13.221 -10.928 1.00 0.00 H new ATOM 0 HE1 PHE A 59 16.349 -16.281 -7.133 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.308 -14.676 -10.991 1.00 0.00 H new ATOM 0 HZ PHE A 59 14.834 -16.213 -9.098 1.00 0.00 H new ATOM 913 N LEU A 60 20.815 -12.309 -6.078 1.00 0.00 N ATOM 914 CA LEU A 60 22.074 -12.272 -5.339 1.00 0.00 C ATOM 915 C LEU A 60 23.115 -13.196 -5.988 1.00 0.00 C ATOM 916 O LEU A 60 22.852 -13.882 -6.982 1.00 0.00 O ATOM 917 CB LEU A 60 21.799 -12.682 -3.874 1.00 0.00 C ATOM 918 CG LEU A 60 21.095 -11.606 -3.030 1.00 0.00 C ATOM 919 CD1 LEU A 60 20.754 -12.192 -1.658 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.936 -10.343 -2.824 1.00 0.00 C ATOM 0 H LEU A 60 20.077 -12.802 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 60 22.484 -11.262 -5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 60 21.188 -13.585 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 60 22.746 -12.937 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 60 20.201 -11.312 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 60 20.254 -11.435 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 60 20.094 -13.051 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.670 -12.508 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.377 -9.628 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.863 -10.603 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 60 22.167 -9.898 -3.792 1.00 0.00 H new ATOM 932 N LYS A 61 24.321 -13.242 -5.411 1.00 0.00 N ATOM 933 CA LYS A 61 25.216 -14.383 -5.598 1.00 0.00 C ATOM 934 C LYS A 61 24.681 -15.579 -4.808 1.00 0.00 C ATOM 935 O LYS A 61 23.891 -15.413 -3.875 1.00 0.00 O ATOM 936 CB LYS A 61 26.660 -14.027 -5.195 1.00 0.00 C ATOM 937 CG LYS A 61 26.830 -13.650 -3.708 1.00 0.00 C ATOM 938 CD LYS A 61 27.874 -14.531 -3.006 1.00 0.00 C ATOM 939 CE LYS A 61 28.029 -14.166 -1.523 1.00 0.00 C ATOM 940 NZ LYS A 61 26.835 -14.501 -0.720 1.00 0.00 N ATOM 0 H LYS A 61 24.696 -12.505 -4.814 1.00 0.00 H new ATOM 0 HA LYS A 61 25.245 -14.651 -6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.307 -14.875 -5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 61 27.002 -13.195 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.128 -12.604 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 61 25.872 -13.747 -3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 61 27.583 -15.578 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 61 28.835 -14.424 -3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 61 28.894 -14.688 -1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 61 28.231 -13.098 -1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 27.022 -14.295 0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 26.027 -13.932 -1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 26.614 -15.511 -0.831 1.00 0.00 H new ATOM 954 N GLY A 62 25.158 -16.784 -5.104 1.00 0.00 N ATOM 955 CA GLY A 62 24.834 -17.981 -4.336 1.00 0.00 C ATOM 956 C GLY A 62 23.542 -18.671 -4.765 1.00 0.00 C ATOM 957 O GLY A 62 23.376 -19.850 -4.466 1.00 0.00 O ATOM 0 H GLY A 62 25.785 -16.958 -5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.657 -18.690 -4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.757 -17.713 -3.282 1.00 0.00 H new ATOM 961 N LYS A 63 22.641 -17.992 -5.485 1.00 0.00 N ATOM 962 CA LYS A 63 21.381 -18.522 -6.024 1.00 0.00 C ATOM 963 C LYS A 63 20.331 -18.911 -4.975 1.00 0.00 C ATOM 964 O LYS A 63 19.200 -19.240 -5.330 1.00 0.00 O ATOM 965 CB LYS A 63 21.626 -19.589 -7.099 1.00 0.00 C ATOM 966 CG LYS A 63 22.593 -19.144 -8.212 1.00 0.00 C ATOM 967 CD LYS A 63 22.709 -20.216 -9.300 1.00 0.00 C ATOM 968 CE LYS A 63 21.532 -20.237 -10.275 1.00 0.00 C ATOM 969 NZ LYS A 63 21.486 -21.510 -11.018 1.00 0.00 N ATOM 0 H LYS A 63 22.777 -17.009 -5.720 1.00 0.00 H new ATOM 0 HA LYS A 63 20.904 -17.680 -6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.023 -20.485 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.672 -19.863 -7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.242 -18.211 -8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 63 23.576 -18.945 -7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 63 23.630 -20.053 -9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 63 22.793 -21.194 -8.826 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.599 -20.097 -9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 63 21.620 -19.406 -10.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.828 -21.421 -11.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.436 -21.738 -11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.162 -22.270 -10.386 1.00 0.00 H new ATOM 983 N LEU A 64 20.658 -18.798 -3.687 1.00 0.00 N ATOM 984 CA LEU A 64 19.786 -19.113 -2.559 1.00 0.00 C ATOM 985 C LEU A 64 19.120 -17.838 -2.004 1.00 0.00 C ATOM 986 O LEU A 64 18.816 -17.785 -0.808 1.00 0.00 O ATOM 987 CB LEU A 64 20.594 -19.844 -1.460 1.00 0.00 C ATOM 988 CG LEU A 64 21.300 -21.158 -1.862 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.292 -21.604 -0.786 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.321 -22.305 -2.088 1.00 0.00 C ATOM 0 H LEU A 64 21.577 -18.470 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 64 18.990 -19.773 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.350 -19.156 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 64 19.919 -20.062 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 64 21.816 -20.937 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.773 -22.531 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 64 23.048 -20.832 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 64 21.762 -21.767 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.871 -23.203 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 64 19.763 -22.493 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 64 19.628 -22.040 -2.887 1.00 0.00 H new ATOM 1002 N GLY A 65 18.979 -16.751 -2.778 1.00 0.00 N ATOM 1003 CA GLY A 65 18.400 -15.514 -2.268 1.00 0.00 C ATOM 1004 C GLY A 65 18.215 -14.474 -3.369 1.00 0.00 C ATOM 1005 O GLY A 65 18.627 -14.686 -4.512 1.00 0.00 O ATOM 0 H GLY A 65 19.260 -16.711 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.436 -15.728 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.044 -15.106 -1.489 1.00 0.00 H new ATOM 1009 N VAL A 66 17.613 -13.339 -3.034 1.00 0.00 N ATOM 1010 CA VAL A 66 17.391 -12.208 -3.929 1.00 0.00 C ATOM 1011 C VAL A 66 17.500 -10.935 -3.077 1.00 0.00 C ATOM 1012 O VAL A 66 17.497 -11.008 -1.846 1.00 0.00 O ATOM 1013 CB VAL A 66 16.032 -12.403 -4.655 1.00 0.00 C ATOM 1014 CG1 VAL A 66 14.803 -12.239 -3.749 1.00 0.00 C ATOM 1015 CG2 VAL A 66 15.864 -11.507 -5.876 1.00 0.00 C ATOM 0 H VAL A 66 17.252 -13.174 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 66 18.131 -12.127 -4.725 1.00 0.00 H new ATOM 0 HB VAL A 66 16.077 -13.443 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.896 -12.391 -4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.843 -12.974 -2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.796 -11.236 -3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.893 -11.695 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.925 -10.462 -5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 66 16.653 -11.722 -6.596 1.00 0.00 H new ATOM 1025 N CYS A 67 17.594 -9.760 -3.690 1.00 0.00 N ATOM 1026 CA CYS A 67 17.369 -8.502 -2.992 1.00 0.00 C ATOM 1027 C CYS A 67 16.567 -7.564 -3.895 1.00 0.00 C ATOM 1028 O CYS A 67 16.429 -7.800 -5.102 1.00 0.00 O ATOM 1029 CB CYS A 67 18.710 -7.915 -2.513 1.00 0.00 C ATOM 1030 SG CYS A 67 19.881 -7.657 -3.872 1.00 0.00 S ATOM 0 H CYS A 67 17.827 -9.654 -4.677 1.00 0.00 H new ATOM 0 HA CYS A 67 16.775 -8.657 -2.091 1.00 0.00 H new ATOM 0 HB2 CYS A 67 18.528 -6.965 -2.010 1.00 0.00 H new ATOM 0 HB3 CYS A 67 19.154 -8.586 -1.778 1.00 0.00 H new ATOM 0 HG CYS A 67 20.987 -7.160 -3.403 1.00 0.00 H new ATOM 1036 N PHE A 68 16.015 -6.508 -3.308 1.00 0.00 N ATOM 1037 CA PHE A 68 15.292 -5.477 -4.030 1.00 0.00 C ATOM 1038 C PHE A 68 15.341 -4.197 -3.218 1.00 0.00 C ATOM 1039 O PHE A 68 15.580 -4.223 -2.012 1.00 0.00 O ATOM 1040 CB PHE A 68 13.840 -5.913 -4.272 1.00 0.00 C ATOM 1041 CG PHE A 68 13.080 -6.351 -3.035 1.00 0.00 C ATOM 1042 CD1 PHE A 68 12.525 -5.403 -2.157 1.00 0.00 C ATOM 1043 CD2 PHE A 68 12.940 -7.722 -2.758 1.00 0.00 C ATOM 1044 CE1 PHE A 68 11.819 -5.823 -1.016 1.00 0.00 C ATOM 1045 CE2 PHE A 68 12.233 -8.139 -1.620 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.672 -7.194 -0.745 1.00 0.00 C ATOM 0 H PHE A 68 16.060 -6.345 -2.302 1.00 0.00 H new ATOM 0 HA PHE A 68 15.754 -5.310 -5.003 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.302 -5.086 -4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.839 -6.734 -4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.641 -4.349 -2.360 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.377 -8.454 -3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.389 -5.092 -0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.119 -9.193 -1.415 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.131 -7.519 0.131 1.00 0.00 H new ATOM 1056 N ASP A 69 15.064 -3.078 -3.870 1.00 0.00 N ATOM 1057 CA ASP A 69 14.997 -1.773 -3.243 1.00 0.00 C ATOM 1058 C ASP A 69 13.518 -1.454 -3.039 1.00 0.00 C ATOM 1059 O ASP A 69 12.697 -1.683 -3.936 1.00 0.00 O ATOM 1060 CB ASP A 69 15.711 -0.711 -4.094 1.00 0.00 C ATOM 1061 CG ASP A 69 17.036 -1.166 -4.699 1.00 0.00 C ATOM 1062 OD1 ASP A 69 17.038 -1.773 -5.792 1.00 0.00 O ATOM 1063 OD2 ASP A 69 18.120 -0.882 -4.122 1.00 0.00 O ATOM 0 H ASP A 69 14.876 -3.055 -4.872 1.00 0.00 H new ATOM 0 HA ASP A 69 15.513 -1.773 -2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 69 15.045 -0.403 -4.900 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.892 0.169 -3.476 1.00 0.00 H new ATOM 1068 N VAL A 70 13.159 -0.914 -1.876 1.00 0.00 N ATOM 1069 CA VAL A 70 11.801 -0.463 -1.564 1.00 0.00 C ATOM 1070 C VAL A 70 11.879 0.904 -0.895 1.00 0.00 C ATOM 1071 O VAL A 70 12.917 1.243 -0.322 1.00 0.00 O ATOM 1072 CB VAL A 70 11.052 -1.479 -0.677 1.00 0.00 C ATOM 1073 CG1 VAL A 70 10.216 -2.432 -1.536 1.00 0.00 C ATOM 1074 CG2 VAL A 70 11.975 -2.291 0.236 1.00 0.00 C ATOM 0 H VAL A 70 13.816 -0.774 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 70 11.231 -0.383 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 70 10.403 -0.888 -0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.696 -3.141 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.487 -1.860 -2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.870 -2.975 -2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.380 -2.985 0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.686 -2.851 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.516 -1.616 0.899 1.00 0.00 H new ATOM 1084 N PRO A 71 10.810 1.715 -0.970 1.00 0.00 N ATOM 1085 CA PRO A 71 10.812 3.016 -0.337 1.00 0.00 C ATOM 1086 C PRO A 71 10.938 2.840 1.164 1.00 0.00 C ATOM 1087 O PRO A 71 10.338 1.924 1.717 1.00 0.00 O ATOM 1088 CB PRO A 71 9.488 3.683 -0.697 1.00 0.00 C ATOM 1089 CG PRO A 71 8.590 2.565 -1.212 1.00 0.00 C ATOM 1090 CD PRO A 71 9.542 1.448 -1.633 1.00 0.00 C ATOM 0 HA PRO A 71 11.647 3.630 -0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.046 4.171 0.172 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.631 4.452 -1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.902 2.225 -0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.983 2.903 -2.052 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.150 0.474 -1.342 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.666 1.431 -2.716 1.00 0.00 H new ATOM 1098 N THR A 72 11.589 3.769 1.852 1.00 0.00 N ATOM 1099 CA THR A 72 11.668 3.783 3.309 1.00 0.00 C ATOM 1100 C THR A 72 10.247 3.792 3.908 1.00 0.00 C ATOM 1101 O THR A 72 9.951 3.039 4.829 1.00 0.00 O ATOM 1102 CB THR A 72 12.527 4.995 3.696 1.00 0.00 C ATOM 1103 OG1 THR A 72 13.717 5.010 2.934 1.00 0.00 O ATOM 1104 CG2 THR A 72 12.947 5.046 5.152 1.00 0.00 C ATOM 0 H THR A 72 12.083 4.544 1.410 1.00 0.00 H new ATOM 0 HA THR A 72 12.141 2.889 3.716 1.00 0.00 H new ATOM 0 HB THR A 72 11.883 5.853 3.502 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.895 5.922 2.624 1.00 0.00 H new ATOM 0 HG21 THR A 72 13.549 5.938 5.326 1.00 0.00 H new ATOM 0 HG22 THR A 72 12.061 5.078 5.785 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.533 4.159 5.393 1.00 0.00 H new ATOM 1112 N ALA A 73 9.315 4.528 3.285 1.00 0.00 N ATOM 1113 CA ALA A 73 7.894 4.548 3.632 1.00 0.00 C ATOM 1114 C ALA A 73 7.135 3.261 3.238 1.00 0.00 C ATOM 1115 O ALA A 73 5.901 3.250 3.247 1.00 0.00 O ATOM 1116 CB ALA A 73 7.262 5.788 2.996 1.00 0.00 C ATOM 0 H ALA A 73 9.540 5.143 2.503 1.00 0.00 H new ATOM 0 HA ALA A 73 7.814 4.591 4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.201 5.823 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.753 6.683 3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.382 5.743 1.914 1.00 0.00 H new ATOM 1122 N SER A 74 7.834 2.199 2.831 1.00 0.00 N ATOM 1123 CA SER A 74 7.340 0.826 2.826 1.00 0.00 C ATOM 1124 C SER A 74 8.264 -0.129 3.608 1.00 0.00 C ATOM 1125 O SER A 74 7.753 -1.107 4.143 1.00 0.00 O ATOM 1126 CB SER A 74 7.128 0.378 1.374 1.00 0.00 C ATOM 1127 OG SER A 74 6.452 -0.855 1.258 1.00 0.00 O ATOM 0 H SER A 74 8.790 2.277 2.485 1.00 0.00 H new ATOM 0 HA SER A 74 6.383 0.791 3.347 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.562 1.145 0.845 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.097 0.300 0.881 1.00 0.00 H new ATOM 0 HG SER A 74 6.347 -1.083 0.311 1.00 0.00 H new ATOM 1133 N VAL A 75 9.573 0.140 3.746 1.00 0.00 N ATOM 1134 CA VAL A 75 10.545 -0.688 4.480 1.00 0.00 C ATOM 1135 C VAL A 75 9.997 -1.045 5.861 1.00 0.00 C ATOM 1136 O VAL A 75 9.852 -2.231 6.157 1.00 0.00 O ATOM 1137 CB VAL A 75 11.927 0.004 4.526 1.00 0.00 C ATOM 1138 CG1 VAL A 75 12.902 -0.628 5.529 1.00 0.00 C ATOM 1139 CG2 VAL A 75 12.614 -0.047 3.151 1.00 0.00 C ATOM 0 H VAL A 75 9.999 0.970 3.334 1.00 0.00 H new ATOM 0 HA VAL A 75 10.696 -1.630 3.952 1.00 0.00 H new ATOM 0 HB VAL A 75 11.711 1.027 4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.849 -0.089 5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.479 -0.573 6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.071 -1.672 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.584 0.446 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.753 -1.086 2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.992 0.462 2.415 1.00 0.00 H new ATOM 1149 N THR A 76 9.643 -0.044 6.675 1.00 0.00 N ATOM 1150 CA THR A 76 9.105 -0.297 8.007 1.00 0.00 C ATOM 1151 C THR A 76 7.860 -1.188 7.948 1.00 0.00 C ATOM 1152 O THR A 76 7.647 -2.048 8.802 1.00 0.00 O ATOM 1153 CB THR A 76 8.748 1.049 8.668 1.00 0.00 C ATOM 1154 OG1 THR A 76 9.862 1.898 8.861 1.00 0.00 O ATOM 1155 CG2 THR A 76 8.090 0.948 10.049 1.00 0.00 C ATOM 0 H THR A 76 9.721 0.943 6.432 1.00 0.00 H new ATOM 0 HA THR A 76 9.862 -0.818 8.593 1.00 0.00 H new ATOM 0 HB THR A 76 8.043 1.453 7.941 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.568 2.733 9.281 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.879 1.949 10.426 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.159 0.387 9.968 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.763 0.436 10.736 1.00 0.00 H new ATOM 1163 N GLU A 77 7.016 -0.958 6.951 1.00 0.00 N ATOM 1164 CA GLU A 77 5.696 -1.536 6.867 1.00 0.00 C ATOM 1165 C GLU A 77 5.795 -3.024 6.549 1.00 0.00 C ATOM 1166 O GLU A 77 5.254 -3.826 7.296 1.00 0.00 O ATOM 1167 CB GLU A 77 4.910 -0.734 5.832 1.00 0.00 C ATOM 1168 CG GLU A 77 3.448 -1.154 5.753 1.00 0.00 C ATOM 1169 CD GLU A 77 2.614 0.062 5.373 1.00 0.00 C ATOM 1170 OE1 GLU A 77 2.469 0.314 4.152 1.00 0.00 O ATOM 1171 OE2 GLU A 77 2.157 0.784 6.283 1.00 0.00 O ATOM 0 H GLU A 77 7.242 -0.350 6.164 1.00 0.00 H new ATOM 0 HA GLU A 77 5.163 -1.478 7.816 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.967 0.326 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.373 -0.858 4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.321 -1.946 5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.117 -1.555 6.711 1.00 0.00 H new ATOM 1178 N ILE A 78 6.530 -3.413 5.502 1.00 0.00 N ATOM 1179 CA ILE A 78 6.853 -4.804 5.151 1.00 0.00 C ATOM 1180 C ILE A 78 7.314 -5.542 6.412 1.00 0.00 C ATOM 1181 O ILE A 78 6.830 -6.638 6.665 1.00 0.00 O ATOM 1182 CB ILE A 78 8.000 -4.783 4.110 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.602 -4.082 2.792 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.507 -6.193 3.793 1.00 0.00 C ATOM 1185 CD1 ILE A 78 8.815 -3.397 2.160 1.00 0.00 C ATOM 0 H ILE A 78 6.933 -2.742 4.848 1.00 0.00 H new ATOM 0 HA ILE A 78 5.981 -5.311 4.737 1.00 0.00 H new ATOM 0 HB ILE A 78 8.800 -4.207 4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.186 -4.811 2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.822 -3.346 2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.311 -6.134 3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.881 -6.659 4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.690 -6.791 3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.515 -2.909 1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.213 -2.653 2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.583 -4.141 1.947 1.00 0.00 H new ATOM 1197 N GLN A 79 8.223 -4.951 7.198 1.00 0.00 N ATOM 1198 CA GLN A 79 8.772 -5.599 8.382 1.00 0.00 C ATOM 1199 C GLN A 79 7.699 -5.902 9.438 1.00 0.00 C ATOM 1200 O GLN A 79 7.877 -6.855 10.192 1.00 0.00 O ATOM 1201 CB GLN A 79 9.901 -4.755 8.981 1.00 0.00 C ATOM 1202 CG GLN A 79 11.124 -4.581 8.066 1.00 0.00 C ATOM 1203 CD GLN A 79 12.050 -5.793 7.965 1.00 0.00 C ATOM 1204 OE1 GLN A 79 11.809 -6.860 8.526 1.00 0.00 O ATOM 1205 NE2 GLN A 79 13.124 -5.652 7.201 1.00 0.00 N ATOM 0 H GLN A 79 8.593 -4.016 7.027 1.00 0.00 H new ATOM 0 HA GLN A 79 9.179 -6.558 8.062 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.507 -3.770 9.231 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.225 -5.215 9.915 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.774 -4.329 7.065 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.705 -3.731 8.424 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.310 -4.760 6.742 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.764 -6.435 7.072 1.00 0.00 H new ATOM 1214 N GLU A 80 6.616 -5.122 9.510 1.00 0.00 N ATOM 1215 CA GLU A 80 5.469 -5.364 10.363 1.00 0.00 C ATOM 1216 C GLU A 80 4.516 -6.390 9.737 1.00 0.00 C ATOM 1217 O GLU A 80 3.963 -7.228 10.457 1.00 0.00 O ATOM 1218 CB GLU A 80 4.721 -4.036 10.546 1.00 0.00 C ATOM 1219 CG GLU A 80 5.242 -3.180 11.700 1.00 0.00 C ATOM 1220 CD GLU A 80 4.390 -1.922 11.848 1.00 0.00 C ATOM 1221 OE1 GLU A 80 3.185 -2.067 12.153 1.00 0.00 O ATOM 1222 OE2 GLU A 80 4.903 -0.799 11.635 1.00 0.00 O ATOM 0 H GLU A 80 6.520 -4.275 8.951 1.00 0.00 H new ATOM 0 HA GLU A 80 5.815 -5.759 11.318 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.790 -3.462 9.622 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.664 -4.246 10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.221 -3.754 12.627 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.281 -2.905 11.519 1.00 0.00 H new ATOM 1229 N LYS A 81 4.259 -6.301 8.423 1.00 0.00 N ATOM 1230 CA LYS A 81 3.230 -7.113 7.776 1.00 0.00 C ATOM 1231 C LYS A 81 3.712 -8.534 7.453 1.00 0.00 C ATOM 1232 O LYS A 81 2.903 -9.458 7.436 1.00 0.00 O ATOM 1233 CB LYS A 81 2.521 -6.345 6.646 1.00 0.00 C ATOM 1234 CG LYS A 81 3.386 -5.792 5.532 1.00 0.00 C ATOM 1235 CD LYS A 81 2.650 -5.509 4.209 1.00 0.00 C ATOM 1236 CE LYS A 81 1.713 -4.295 4.315 1.00 0.00 C ATOM 1237 NZ LYS A 81 1.307 -3.749 2.998 1.00 0.00 N ATOM 0 H LYS A 81 4.754 -5.672 7.791 1.00 0.00 H new ATOM 0 HA LYS A 81 2.432 -7.297 8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.781 -7.009 6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.976 -5.514 7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.848 -4.867 5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.193 -6.498 5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.380 -5.334 3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.073 -6.388 3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.821 -4.581 4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.209 -3.511 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.677 -2.934 3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.152 -3.447 2.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.807 -4.483 2.457 1.00 0.00 H new ATOM 1251 N TRP A 82 5.012 -8.732 7.268 1.00 0.00 N ATOM 1252 CA TRP A 82 5.662 -10.037 7.174 1.00 0.00 C ATOM 1253 C TRP A 82 5.839 -10.642 8.563 1.00 0.00 C ATOM 1254 O TRP A 82 5.932 -9.922 9.557 1.00 0.00 O ATOM 1255 CB TRP A 82 7.045 -9.799 6.550 1.00 0.00 C ATOM 1256 CG TRP A 82 7.976 -10.961 6.358 1.00 0.00 C ATOM 1257 CD1 TRP A 82 9.005 -11.268 7.177 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.049 -11.923 5.264 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.742 -12.301 6.640 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.205 -12.735 5.447 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.289 -12.157 4.101 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.602 -13.695 4.502 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 7.655 -13.146 3.169 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.826 -13.896 3.349 1.00 0.00 C ATOM 0 H TRP A 82 5.670 -7.958 7.175 1.00 0.00 H new ATOM 0 HA TRP A 82 5.061 -10.722 6.576 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.889 -9.340 5.574 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.561 -9.065 7.169 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.219 -10.776 8.115 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.579 -12.695 7.071 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.405 -11.564 3.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.499 -14.275 4.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.029 -13.329 2.308 1.00 0.00 H new ATOM 0 HH2 TRP A 82 9.128 -14.621 2.608 1.00 0.00 H new ATOM 1275 N HIS A 83 6.025 -11.959 8.622 1.00 0.00 N ATOM 1276 CA HIS A 83 6.733 -12.630 9.690 1.00 0.00 C ATOM 1277 C HIS A 83 7.716 -13.629 9.075 1.00 0.00 C ATOM 1278 O HIS A 83 7.507 -14.136 7.969 1.00 0.00 O ATOM 1279 CB HIS A 83 5.727 -13.282 10.640 1.00 0.00 C ATOM 1280 CG HIS A 83 4.894 -14.409 10.072 1.00 0.00 C ATOM 1281 ND1 HIS A 83 5.296 -15.717 9.899 1.00 0.00 N ATOM 1282 CD2 HIS A 83 3.566 -14.342 9.746 1.00 0.00 C ATOM 1283 CE1 HIS A 83 4.233 -16.420 9.474 1.00 0.00 C ATOM 1284 NE2 HIS A 83 3.146 -15.632 9.398 1.00 0.00 N ATOM 0 H HIS A 83 5.676 -12.597 7.907 1.00 0.00 H new ATOM 0 HA HIS A 83 7.312 -11.924 10.286 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.271 -13.662 11.504 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.051 -12.508 11.004 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.233 -16.085 10.064 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.952 -13.453 9.755 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.249 -17.471 9.228 1.00 0.00 H new ATOM 1292 N ASP A 84 8.795 -13.926 9.793 1.00 0.00 N ATOM 1293 CA ASP A 84 9.773 -14.946 9.416 1.00 0.00 C ATOM 1294 C ASP A 84 9.119 -16.323 9.363 1.00 0.00 C ATOM 1295 O ASP A 84 8.020 -16.507 9.889 1.00 0.00 O ATOM 1296 CB ASP A 84 10.927 -14.963 10.419 1.00 0.00 C ATOM 1297 CG ASP A 84 10.468 -15.422 11.798 1.00 0.00 C ATOM 1298 OD1 ASP A 84 9.830 -14.591 12.487 1.00 0.00 O ATOM 1299 OD2 ASP A 84 10.808 -16.550 12.213 1.00 0.00 O ATOM 0 H ASP A 84 9.020 -13.457 10.670 1.00 0.00 H new ATOM 0 HA ASP A 84 10.159 -14.702 8.426 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.713 -15.626 10.058 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.360 -13.965 10.493 1.00 0.00 H new ATOM 1304 N SER A 85 9.776 -17.295 8.732 1.00 0.00 N ATOM 1305 CA SER A 85 9.228 -18.630 8.555 1.00 0.00 C ATOM 1306 C SER A 85 10.363 -19.657 8.425 1.00 0.00 C ATOM 1307 O SER A 85 11.550 -19.310 8.382 1.00 0.00 O ATOM 1308 CB SER A 85 8.323 -18.578 7.313 1.00 0.00 C ATOM 1309 OG SER A 85 7.540 -19.740 7.163 1.00 0.00 O ATOM 0 H SER A 85 10.705 -17.174 8.330 1.00 0.00 H new ATOM 0 HA SER A 85 8.639 -18.947 9.416 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.668 -17.710 7.382 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.940 -18.443 6.424 1.00 0.00 H new ATOM 0 HG SER A 85 6.982 -19.657 6.362 1.00 0.00 H new ATOM 1315 N ARG A 86 9.993 -20.938 8.358 1.00 0.00 N ATOM 1316 CA ARG A 86 10.880 -22.096 8.346 1.00 0.00 C ATOM 1317 C ARG A 86 11.937 -22.075 7.239 1.00 0.00 C ATOM 1318 O ARG A 86 12.934 -22.781 7.376 1.00 0.00 O ATOM 1319 CB ARG A 86 10.053 -23.394 8.328 1.00 0.00 C ATOM 1320 CG ARG A 86 9.304 -23.700 7.016 1.00 0.00 C ATOM 1321 CD ARG A 86 7.800 -23.378 7.025 1.00 0.00 C ATOM 1322 NE ARG A 86 7.069 -24.364 7.833 1.00 0.00 N ATOM 1323 CZ ARG A 86 5.795 -24.752 7.738 1.00 0.00 C ATOM 1324 NH1 ARG A 86 4.950 -24.168 6.892 1.00 0.00 N ATOM 1325 NH2 ARG A 86 5.387 -25.769 8.491 1.00 0.00 N ATOM 0 H ARG A 86 9.010 -21.206 8.308 1.00 0.00 H new ATOM 0 HA ARG A 86 11.458 -22.051 9.269 1.00 0.00 H new ATOM 0 HB2 ARG A 86 10.719 -24.229 8.546 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.324 -23.348 9.137 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.774 -23.137 6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.431 -24.757 6.783 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.638 -22.378 7.427 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.416 -23.378 6.005 1.00 0.00 H new ATOM 0 HE ARG A 86 7.611 -24.815 8.570 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.271 -23.405 6.296 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.982 -24.484 6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.042 -26.232 9.121 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.419 -26.086 8.439 1.00 0.00 H new ATOM 1339 N ARG A 87 11.749 -21.340 6.141 1.00 0.00 N ATOM 1340 CA ARG A 87 12.653 -21.375 4.991 1.00 0.00 C ATOM 1341 C ARG A 87 13.063 -19.974 4.525 1.00 0.00 C ATOM 1342 O ARG A 87 13.857 -19.865 3.592 1.00 0.00 O ATOM 1343 CB ARG A 87 11.995 -22.218 3.883 1.00 0.00 C ATOM 1344 CG ARG A 87 13.012 -22.789 2.886 1.00 0.00 C ATOM 1345 CD ARG A 87 12.345 -23.669 1.826 1.00 0.00 C ATOM 1346 NE ARG A 87 12.452 -25.107 2.133 1.00 0.00 N ATOM 1347 CZ ARG A 87 11.504 -25.927 2.606 1.00 0.00 C ATOM 1348 NH1 ARG A 87 10.263 -25.519 2.849 1.00 0.00 N ATOM 1349 NH2 ARG A 87 11.809 -27.195 2.832 1.00 0.00 N ATOM 0 H ARG A 87 10.962 -20.701 6.025 1.00 0.00 H new ATOM 0 HA ARG A 87 13.593 -21.847 5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.440 -23.038 4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.273 -21.603 3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.540 -21.970 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.759 -23.373 3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.293 -23.396 1.743 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.803 -23.473 0.856 1.00 0.00 H new ATOM 0 HE ARG A 87 13.364 -25.532 1.964 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.002 -24.548 2.675 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.571 -26.176 3.209 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.753 -27.533 2.646 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.100 -27.834 3.192 1.00 0.00 H new ATOM 1363 N TRP A 88 12.546 -18.910 5.148 1.00 0.00 N ATOM 1364 CA TRP A 88 12.753 -17.533 4.711 1.00 0.00 C ATOM 1365 C TRP A 88 12.984 -16.648 5.937 1.00 0.00 C ATOM 1366 O TRP A 88 12.188 -16.686 6.881 1.00 0.00 O ATOM 1367 CB TRP A 88 11.519 -17.041 3.931 1.00 0.00 C ATOM 1368 CG TRP A 88 11.152 -17.768 2.664 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.339 -18.844 2.577 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.515 -17.451 1.285 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.193 -19.228 1.256 1.00 0.00 N ATOM 1372 CE2 TRP A 88 10.909 -18.404 0.413 1.00 0.00 C ATOM 1373 CE3 TRP A 88 12.290 -16.443 0.678 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 11.101 -18.376 -0.980 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 12.497 -16.401 -0.711 1.00 0.00 C ATOM 1376 CH2 TRP A 88 11.911 -17.372 -1.542 1.00 0.00 C ATOM 0 H TRP A 88 11.964 -18.987 5.982 1.00 0.00 H new ATOM 0 HA TRP A 88 13.624 -17.483 4.057 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.661 -17.083 4.602 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.677 -15.992 3.681 1.00 0.00 H new ATOM 0 HD1 TRP A 88 9.871 -19.334 3.418 1.00 0.00 H new ATOM 0 HE1 TRP A 88 9.628 -20.019 0.945 1.00 0.00 H new ATOM 0 HE3 TRP A 88 12.738 -15.681 1.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 10.632 -19.117 -1.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 13.108 -15.621 -1.141 1.00 0.00 H new ATOM 0 HH2 TRP A 88 12.082 -17.347 -2.608 1.00 0.00 H new ATOM 1387 N GLN A 89 14.042 -15.833 5.926 1.00 0.00 N ATOM 1388 CA GLN A 89 14.165 -14.652 6.776 1.00 0.00 C ATOM 1389 C GLN A 89 14.513 -13.475 5.868 1.00 0.00 C ATOM 1390 O GLN A 89 15.374 -13.587 4.991 1.00 0.00 O ATOM 1391 CB GLN A 89 15.241 -14.807 7.865 1.00 0.00 C ATOM 1392 CG GLN A 89 14.828 -15.690 9.051 1.00 0.00 C ATOM 1393 CD GLN A 89 15.232 -17.149 8.879 1.00 0.00 C ATOM 1394 OE1 GLN A 89 16.355 -17.533 9.196 1.00 0.00 O ATOM 1395 NE2 GLN A 89 14.346 -17.993 8.381 1.00 0.00 N ATOM 0 H GLN A 89 14.847 -15.979 5.317 1.00 0.00 H new ATOM 0 HA GLN A 89 13.222 -14.497 7.301 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.139 -15.226 7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.505 -13.818 8.240 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.280 -15.299 9.962 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.747 -15.631 9.181 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.417 -17.662 8.121 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.591 -18.975 8.256 1.00 0.00 H new ATOM 1404 N LEU A 90 13.817 -12.359 6.047 1.00 0.00 N ATOM 1405 CA LEU A 90 14.169 -11.086 5.433 1.00 0.00 C ATOM 1406 C LEU A 90 15.318 -10.451 6.208 1.00 0.00 C ATOM 1407 O LEU A 90 15.617 -10.847 7.339 1.00 0.00 O ATOM 1408 CB LEU A 90 12.928 -10.164 5.402 1.00 0.00 C ATOM 1409 CG LEU A 90 12.326 -10.066 3.993 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.977 -11.453 3.447 1.00 0.00 C ATOM 1411 CD2 LEU A 90 11.048 -9.235 3.978 1.00 0.00 C ATOM 0 H LEU A 90 12.982 -12.313 6.630 1.00 0.00 H new ATOM 0 HA LEU A 90 14.497 -11.243 4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.176 -10.544 6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.206 -9.169 5.749 1.00 0.00 H new ATOM 0 HG LEU A 90 13.084 -9.588 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.552 -11.354 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.879 -12.063 3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.250 -11.931 4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.655 -9.191 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.308 -9.694 4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.266 -8.226 4.327 1.00 0.00 H new ATOM 1423 N SER A 91 15.920 -9.431 5.607 1.00 0.00 N ATOM 1424 CA SER A 91 16.843 -8.503 6.244 1.00 0.00 C ATOM 1425 C SER A 91 16.620 -7.118 5.628 1.00 0.00 C ATOM 1426 O SER A 91 15.913 -6.982 4.624 1.00 0.00 O ATOM 1427 CB SER A 91 18.305 -8.947 6.056 1.00 0.00 C ATOM 1428 OG SER A 91 18.461 -10.343 5.832 1.00 0.00 O ATOM 0 H SER A 91 15.771 -9.220 4.620 1.00 0.00 H new ATOM 0 HA SER A 91 16.653 -8.478 7.317 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.733 -8.404 5.214 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.876 -8.665 6.941 1.00 0.00 H new ATOM 0 HG SER A 91 19.412 -10.552 5.720 1.00 0.00 H new ATOM 1434 N VAL A 92 17.258 -6.092 6.183 1.00 0.00 N ATOM 1435 CA VAL A 92 17.350 -4.764 5.593 1.00 0.00 C ATOM 1436 C VAL A 92 18.837 -4.415 5.530 1.00 0.00 C ATOM 1437 O VAL A 92 19.624 -4.916 6.341 1.00 0.00 O ATOM 1438 CB VAL A 92 16.489 -3.785 6.415 1.00 0.00 C ATOM 1439 CG1 VAL A 92 17.078 -3.491 7.800 1.00 0.00 C ATOM 1440 CG2 VAL A 92 16.218 -2.471 5.677 1.00 0.00 C ATOM 0 H VAL A 92 17.738 -6.165 7.080 1.00 0.00 H new ATOM 0 HA VAL A 92 16.954 -4.709 4.579 1.00 0.00 H new ATOM 0 HB VAL A 92 15.538 -4.300 6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 92 16.428 -2.796 8.332 1.00 0.00 H new ATOM 0 HG12 VAL A 92 17.157 -4.419 8.366 1.00 0.00 H new ATOM 0 HG13 VAL A 92 18.068 -3.049 7.688 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.607 -1.821 6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 92 17.164 -1.977 5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 92 15.690 -2.679 4.747 1.00 0.00 H new ATOM 1450 N ALA A 93 19.223 -3.586 4.564 1.00 0.00 N ATOM 1451 CA ALA A 93 20.569 -3.038 4.483 1.00 0.00 C ATOM 1452 C ALA A 93 20.765 -2.008 5.610 1.00 0.00 C ATOM 1453 O ALA A 93 19.821 -1.675 6.336 1.00 0.00 O ATOM 1454 CB ALA A 93 20.765 -2.423 3.098 1.00 0.00 C ATOM 0 H ALA A 93 18.606 -3.276 3.813 1.00 0.00 H new ATOM 0 HA ALA A 93 21.319 -3.817 4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.770 -2.008 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.632 -3.191 2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.033 -1.630 2.945 1.00 0.00 H new