USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 665 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 64 TYR OH : rot 91:sc= 0.45 USER MOD Set 1.2: A 80 THR OG1 : rot 177:sc= 0.407 USER MOD Set 2.1: A 62 THR OG1 : rot 1:sc= -0.333 USER MOD Set 2.2: A 104 ASN : amide:sc= -3.17 K(o=-3.5,f=-9.7!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 25:sc= 0.0383 USER MOD Single : A 36 GLN : amide:sc= -2.02! C(o=-2!,f=-1.7!) USER MOD Single : A 54 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= 0.0692 (180deg=0.0313) USER MOD Single : A 75 MET CE :methyl 176:sc= 0 (180deg=-0.011) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -5.52! C(o=-5.5!,f=-8!) USER MOD Single : A 82 THR OG1 : rot -12:sc= 0.902 USER MOD Single : A 88 HIS : no HD1:sc= -6.19! C(o=-6.2!,f=-3.6!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 96 TYR OH : rot 165:sc= 1.22 USER MOD Single : A 99 SER OG : rot 180:sc= -0.119 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.273 K(o=-0.27,f=-1.2) USER MOD Single : A 116 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.24) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 340 N PRO A 27 -0.868 16.989 -0.781 1.00 0.00 N ATOM 341 CA PRO A 27 -1.082 15.674 -0.169 1.00 0.00 C ATOM 342 C PRO A 27 -1.534 14.629 -1.184 1.00 0.00 C ATOM 343 O PRO A 27 -1.995 14.952 -2.279 1.00 0.00 O ATOM 344 CB PRO A 27 -2.186 15.935 0.858 1.00 0.00 C ATOM 345 CG PRO A 27 -2.916 17.124 0.336 1.00 0.00 C ATOM 346 CD PRO A 27 -1.885 17.968 -0.363 1.00 0.00 C ATOM 0 HA PRO A 27 -0.166 15.272 0.264 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.848 15.075 0.954 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.769 16.129 1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.707 16.825 -0.351 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.390 17.678 1.146 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.310 18.496 -1.217 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.466 18.723 0.302 1.00 0.00 H new ATOM 354 N PRO A 28 -1.401 13.347 -0.814 1.00 0.00 N ATOM 355 CA PRO A 28 -1.792 12.229 -1.678 1.00 0.00 C ATOM 356 C PRO A 28 -3.305 12.127 -1.844 1.00 0.00 C ATOM 357 O PRO A 28 -4.061 12.393 -0.910 1.00 0.00 O ATOM 358 CB PRO A 28 -1.252 11.003 -0.938 1.00 0.00 C ATOM 359 CG PRO A 28 -1.185 11.422 0.491 1.00 0.00 C ATOM 360 CD PRO A 28 -0.860 12.890 0.477 1.00 0.00 C ATOM 0 HA PRO A 28 -1.401 12.340 -2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.907 10.142 -1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.270 10.715 -1.313 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.133 11.237 0.997 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.422 10.858 1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.323 13.412 1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.214 13.065 0.547 1.00 0.00 H new ATOM 368 N ARG A 29 -3.739 11.739 -3.039 1.00 0.00 N ATOM 369 CA ARG A 29 -5.161 11.602 -3.328 1.00 0.00 C ATOM 370 C ARG A 29 -5.418 10.409 -4.244 1.00 0.00 C ATOM 371 O ARG A 29 -4.602 10.090 -5.108 1.00 0.00 O ATOM 372 CB ARG A 29 -5.697 12.880 -3.975 1.00 0.00 C ATOM 373 CG ARG A 29 -6.012 13.982 -2.977 1.00 0.00 C ATOM 374 CD ARG A 29 -7.258 13.660 -2.166 1.00 0.00 C ATOM 375 NE ARG A 29 -8.478 14.090 -2.843 1.00 0.00 N ATOM 376 CZ ARG A 29 -8.837 15.362 -2.975 1.00 0.00 C ATOM 377 NH1 ARG A 29 -8.072 16.325 -2.478 1.00 0.00 N ATOM 378 NH2 ARG A 29 -9.962 15.674 -3.604 1.00 0.00 N ATOM 0 H ARG A 29 -3.126 11.514 -3.822 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.683 11.433 -2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.964 13.249 -4.692 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.600 12.641 -4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.165 14.119 -2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.155 14.924 -3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.304 12.586 -1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.193 14.147 -1.193 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.089 13.374 -3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.206 16.089 -1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.350 17.301 -2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.553 14.937 -3.987 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.236 16.651 -3.704 1.00 0.00 H new ATOM 392 N GLY A 30 -6.558 9.753 -4.048 1.00 0.00 N ATOM 393 CA GLY A 30 -6.901 8.602 -4.863 1.00 0.00 C ATOM 394 C GLY A 30 -5.838 7.522 -4.818 1.00 0.00 C ATOM 395 O GLY A 30 -5.358 7.070 -5.858 1.00 0.00 O ATOM 0 H GLY A 30 -7.250 9.998 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.850 8.188 -4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.046 8.922 -5.895 1.00 0.00 H new ATOM 399 N LEU A 31 -5.468 7.108 -3.611 1.00 0.00 N ATOM 400 CA LEU A 31 -4.453 6.075 -3.435 1.00 0.00 C ATOM 401 C LEU A 31 -5.092 4.745 -3.047 1.00 0.00 C ATOM 402 O LEU A 31 -5.804 4.656 -2.048 1.00 0.00 O ATOM 403 CB LEU A 31 -3.445 6.500 -2.366 1.00 0.00 C ATOM 404 CG LEU A 31 -2.277 5.543 -2.127 1.00 0.00 C ATOM 405 CD1 LEU A 31 -2.708 4.384 -1.242 1.00 0.00 C ATOM 406 CD2 LEU A 31 -1.728 5.030 -3.450 1.00 0.00 C ATOM 0 H LEU A 31 -5.855 7.472 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.934 5.945 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.040 7.473 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.978 6.633 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.485 6.089 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.863 3.714 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.052 4.768 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.518 3.838 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.897 4.350 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.514 4.501 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.379 5.871 -4.050 1.00 0.00 H new ATOM 418 N GLN A 32 -4.829 3.714 -3.844 1.00 0.00 N ATOM 419 CA GLN A 32 -5.378 2.388 -3.583 1.00 0.00 C ATOM 420 C GLN A 32 -4.600 1.318 -4.343 1.00 0.00 C ATOM 421 O GLN A 32 -3.905 1.614 -5.315 1.00 0.00 O ATOM 422 CB GLN A 32 -6.855 2.338 -3.976 1.00 0.00 C ATOM 423 CG GLN A 32 -7.516 0.999 -3.689 1.00 0.00 C ATOM 424 CD GLN A 32 -9.001 1.004 -3.992 1.00 0.00 C ATOM 425 OE1 GLN A 32 -9.425 0.617 -5.081 1.00 0.00 O ATOM 426 NE2 GLN A 32 -9.801 1.444 -3.028 1.00 0.00 N ATOM 0 H GLN A 32 -4.240 3.771 -4.675 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.287 2.188 -2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.392 3.121 -3.440 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.947 2.559 -5.039 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.031 0.224 -4.282 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.364 0.740 -2.641 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.407 1.755 -2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.810 1.471 -3.175 1.00 0.00 H new ATOM 435 N VAL A 33 -4.722 0.074 -3.892 1.00 0.00 N ATOM 436 CA VAL A 33 -4.031 -1.041 -4.530 1.00 0.00 C ATOM 437 C VAL A 33 -5.013 -1.951 -5.260 1.00 0.00 C ATOM 438 O VAL A 33 -6.195 -2.004 -4.921 1.00 0.00 O ATOM 439 CB VAL A 33 -3.243 -1.874 -3.502 1.00 0.00 C ATOM 440 CG1 VAL A 33 -1.991 -1.132 -3.060 1.00 0.00 C ATOM 441 CG2 VAL A 33 -4.120 -2.215 -2.307 1.00 0.00 C ATOM 0 H VAL A 33 -5.292 -0.188 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.334 -0.612 -5.250 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.936 -2.806 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.447 -1.736 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.355 -0.945 -3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.272 -0.183 -2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.547 -2.804 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.460 -1.295 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.983 -2.791 -2.642 1.00 0.00 H new ATOM 451 N SER A 34 -4.515 -2.665 -6.264 1.00 0.00 N ATOM 452 CA SER A 34 -5.349 -3.571 -7.045 1.00 0.00 C ATOM 453 C SER A 34 -4.563 -4.812 -7.459 1.00 0.00 C ATOM 454 O SER A 34 -3.338 -4.773 -7.576 1.00 0.00 O ATOM 455 CB SER A 34 -5.890 -2.858 -8.286 1.00 0.00 C ATOM 456 OG SER A 34 -7.072 -2.137 -7.984 1.00 0.00 O ATOM 0 H SER A 34 -3.538 -2.634 -6.556 1.00 0.00 H new ATOM 0 HA SER A 34 -6.186 -3.884 -6.421 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.134 -2.177 -8.676 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.095 -3.588 -9.069 1.00 0.00 H new ATOM 0 HG SER A 34 -7.087 -1.918 -7.029 1.00 0.00 H new ATOM 462 N ILE A 35 -5.277 -5.910 -7.680 1.00 0.00 N ATOM 463 CA ILE A 35 -4.648 -7.162 -8.082 1.00 0.00 C ATOM 464 C ILE A 35 -4.590 -7.285 -9.601 1.00 0.00 C ATOM 465 O ILE A 35 -5.575 -7.026 -10.292 1.00 0.00 O ATOM 466 CB ILE A 35 -5.397 -8.379 -7.508 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.415 -8.319 -5.979 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.752 -9.671 -7.985 1.00 0.00 C ATOM 469 CD1 ILE A 35 -6.175 -9.460 -5.339 1.00 0.00 C ATOM 0 H ILE A 35 -6.292 -5.958 -7.588 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.634 -7.148 -7.682 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.426 -8.356 -7.866 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.389 -8.325 -5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.861 -7.375 -5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.293 -10.522 -7.571 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.786 -9.714 -9.074 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.714 -9.704 -7.653 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.146 -9.353 -4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.211 -9.443 -5.678 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.716 -10.407 -5.623 1.00 0.00 H new ATOM 481 N GLN A 36 -3.430 -7.683 -10.114 1.00 0.00 N ATOM 482 CA GLN A 36 -3.245 -7.842 -11.551 1.00 0.00 C ATOM 483 C GLN A 36 -4.356 -8.697 -12.152 1.00 0.00 C ATOM 484 O GLN A 36 -4.472 -9.883 -11.848 1.00 0.00 O ATOM 485 CB GLN A 36 -1.883 -8.473 -11.845 1.00 0.00 C ATOM 486 CG GLN A 36 -1.361 -8.172 -13.240 1.00 0.00 C ATOM 487 CD GLN A 36 -2.418 -8.355 -14.311 1.00 0.00 C ATOM 488 OE1 GLN A 36 -2.709 -9.477 -14.727 1.00 0.00 O ATOM 489 NE2 GLN A 36 -3.001 -7.251 -14.764 1.00 0.00 N ATOM 0 H GLN A 36 -2.605 -7.901 -9.556 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.285 -6.853 -12.008 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.161 -8.116 -11.111 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.958 -9.553 -11.719 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.991 -7.147 -13.272 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.514 -8.824 -13.455 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.729 -6.341 -14.391 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.720 -7.313 -15.485 1.00 0.00 H new ATOM 498 N GLY A 37 -5.170 -8.086 -13.007 1.00 0.00 N ATOM 499 CA GLY A 37 -6.261 -8.807 -13.637 1.00 0.00 C ATOM 500 C GLY A 37 -7.313 -9.253 -12.640 1.00 0.00 C ATOM 501 O GLY A 37 -6.985 -9.697 -11.540 1.00 0.00 O ATOM 0 H GLY A 37 -5.094 -7.105 -13.275 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.725 -8.171 -14.391 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.864 -9.679 -14.156 1.00 0.00 H new ATOM 505 N GLU A 38 -8.579 -9.134 -13.025 1.00 0.00 N ATOM 506 CA GLU A 38 -9.682 -9.527 -12.155 1.00 0.00 C ATOM 507 C GLU A 38 -9.678 -11.035 -11.920 1.00 0.00 C ATOM 508 O GLU A 38 -9.999 -11.814 -12.816 1.00 0.00 O ATOM 509 CB GLU A 38 -11.019 -9.098 -12.763 1.00 0.00 C ATOM 510 CG GLU A 38 -12.185 -9.189 -11.795 1.00 0.00 C ATOM 511 CD GLU A 38 -13.530 -9.109 -12.491 1.00 0.00 C ATOM 512 OE1 GLU A 38 -13.937 -7.989 -12.867 1.00 0.00 O ATOM 513 OE2 GLU A 38 -14.175 -10.164 -12.661 1.00 0.00 O ATOM 0 H GLU A 38 -8.867 -8.769 -13.933 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.551 -9.026 -11.196 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.933 -8.072 -13.120 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.230 -9.721 -13.632 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.121 -10.127 -11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.110 -8.383 -11.065 1.00 0.00 H new ATOM 520 N ALA A 39 -9.313 -11.437 -10.707 1.00 0.00 N ATOM 521 CA ALA A 39 -9.269 -12.851 -10.353 1.00 0.00 C ATOM 522 C ALA A 39 -10.377 -13.204 -9.366 1.00 0.00 C ATOM 523 O ALA A 39 -10.769 -12.382 -8.537 1.00 0.00 O ATOM 524 CB ALA A 39 -7.909 -13.207 -9.772 1.00 0.00 C ATOM 0 H ALA A 39 -9.044 -10.804 -9.953 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.428 -13.433 -11.261 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.890 -14.265 -9.512 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.133 -13.000 -10.509 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.728 -12.611 -8.878 1.00 0.00 H new ATOM 530 N VAL A 40 -10.879 -14.431 -9.460 1.00 0.00 N ATOM 531 CA VAL A 40 -11.941 -14.893 -8.576 1.00 0.00 C ATOM 532 C VAL A 40 -11.371 -15.645 -7.378 1.00 0.00 C ATOM 533 O VAL A 40 -11.468 -15.186 -6.241 1.00 0.00 O ATOM 534 CB VAL A 40 -12.932 -15.809 -9.319 1.00 0.00 C ATOM 535 CG1 VAL A 40 -13.982 -16.348 -8.360 1.00 0.00 C ATOM 536 CG2 VAL A 40 -13.585 -15.062 -10.472 1.00 0.00 C ATOM 0 H VAL A 40 -10.566 -15.123 -10.141 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.470 -14.006 -8.227 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.381 -16.655 -9.730 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -14.673 -16.993 -8.902 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.494 -16.921 -7.571 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -14.532 -15.517 -7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -14.282 -15.724 -10.986 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -14.124 -14.197 -10.086 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.818 -14.730 -11.171 1.00 0.00 H new ATOM 546 N ALA A 41 -10.776 -16.804 -7.643 1.00 0.00 N ATOM 547 CA ALA A 41 -10.188 -17.619 -6.587 1.00 0.00 C ATOM 548 C ALA A 41 -8.844 -18.194 -7.022 1.00 0.00 C ATOM 549 O ALA A 41 -8.765 -18.946 -7.993 1.00 0.00 O ATOM 550 CB ALA A 41 -11.140 -18.738 -6.192 1.00 0.00 C ATOM 0 H ALA A 41 -10.689 -17.199 -8.579 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.017 -16.980 -5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.688 -19.339 -5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.075 -18.310 -5.832 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.340 -19.369 -7.058 1.00 0.00 H new ATOM 556 N VAL A 42 -7.789 -17.834 -6.298 1.00 0.00 N ATOM 557 CA VAL A 42 -6.448 -18.315 -6.609 1.00 0.00 C ATOM 558 C VAL A 42 -6.080 -19.515 -5.744 1.00 0.00 C ATOM 559 O VAL A 42 -6.576 -19.663 -4.627 1.00 0.00 O ATOM 560 CB VAL A 42 -5.395 -17.209 -6.408 1.00 0.00 C ATOM 561 CG1 VAL A 42 -4.040 -17.815 -6.077 1.00 0.00 C ATOM 562 CG2 VAL A 42 -5.307 -16.327 -7.645 1.00 0.00 C ATOM 0 H VAL A 42 -7.837 -17.211 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.454 -18.615 -7.657 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.702 -16.587 -5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.309 -17.018 -5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.117 -18.400 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.721 -18.462 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.558 -15.551 -7.486 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.024 -16.934 -8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.276 -15.864 -7.831 1.00 0.00 H new ATOM 572 N ARG A 43 -5.207 -20.369 -6.267 1.00 0.00 N ATOM 573 CA ARG A 43 -4.773 -21.557 -5.543 1.00 0.00 C ATOM 574 C ARG A 43 -3.625 -21.226 -4.594 1.00 0.00 C ATOM 575 O ARG A 43 -2.866 -20.279 -4.804 1.00 0.00 O ATOM 576 CB ARG A 43 -4.339 -22.648 -6.523 1.00 0.00 C ATOM 577 CG ARG A 43 -5.494 -23.470 -7.071 1.00 0.00 C ATOM 578 CD ARG A 43 -6.053 -22.863 -8.348 1.00 0.00 C ATOM 579 NE ARG A 43 -7.143 -23.662 -8.902 1.00 0.00 N ATOM 580 CZ ARG A 43 -7.522 -23.607 -10.174 1.00 0.00 C ATOM 581 NH1 ARG A 43 -6.902 -22.796 -11.019 1.00 0.00 N ATOM 582 NH2 ARG A 43 -8.523 -24.365 -10.603 1.00 0.00 N ATOM 0 H ARG A 43 -4.786 -20.260 -7.190 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.615 -21.921 -4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.806 -22.187 -7.354 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.635 -23.314 -6.024 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.157 -24.488 -7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.283 -23.535 -6.322 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.411 -21.854 -8.143 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.256 -22.775 -9.087 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.641 -24.297 -8.278 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.132 -22.212 -10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.195 -22.756 -11.995 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.002 -24.991 -9.956 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.813 -24.322 -11.580 1.00 0.00 H new ATOM 596 N PRO A 44 -3.493 -22.023 -3.523 1.00 0.00 N ATOM 597 CA PRO A 44 -2.440 -21.834 -2.520 1.00 0.00 C ATOM 598 C PRO A 44 -1.056 -22.170 -3.063 1.00 0.00 C ATOM 599 O PRO A 44 -0.844 -23.240 -3.632 1.00 0.00 O ATOM 600 CB PRO A 44 -2.830 -22.811 -1.408 1.00 0.00 C ATOM 601 CG PRO A 44 -3.630 -23.865 -2.094 1.00 0.00 C ATOM 602 CD PRO A 44 -4.361 -23.170 -3.209 1.00 0.00 C ATOM 0 HA PRO A 44 -2.372 -20.797 -2.191 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.949 -23.234 -0.925 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.412 -22.315 -0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.985 -24.654 -2.482 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.329 -24.336 -1.403 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.492 -23.823 -4.072 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.355 -22.849 -2.899 1.00 0.00 H new ATOM 610 N GLY A 45 -0.114 -21.248 -2.883 1.00 0.00 N ATOM 611 CA GLY A 45 1.239 -21.466 -3.360 1.00 0.00 C ATOM 612 C GLY A 45 1.540 -20.687 -4.625 1.00 0.00 C ATOM 613 O GLY A 45 2.662 -20.719 -5.128 1.00 0.00 O ATOM 0 H GLY A 45 -0.264 -20.354 -2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.946 -21.177 -2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.388 -22.529 -3.548 1.00 0.00 H new ATOM 617 N GLU A 46 0.534 -19.988 -5.141 1.00 0.00 N ATOM 618 CA GLU A 46 0.697 -19.200 -6.357 1.00 0.00 C ATOM 619 C GLU A 46 1.016 -17.745 -6.024 1.00 0.00 C ATOM 620 O GLU A 46 0.218 -17.052 -5.394 1.00 0.00 O ATOM 621 CB GLU A 46 -0.570 -19.272 -7.212 1.00 0.00 C ATOM 622 CG GLU A 46 -0.802 -20.635 -7.843 1.00 0.00 C ATOM 623 CD GLU A 46 -0.145 -20.768 -9.203 1.00 0.00 C ATOM 624 OE1 GLU A 46 1.064 -20.476 -9.310 1.00 0.00 O ATOM 625 OE2 GLU A 46 -0.841 -21.164 -10.161 1.00 0.00 O ATOM 0 H GLU A 46 -0.402 -19.951 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 46 1.531 -19.618 -6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.430 -19.016 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.509 -18.522 -8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.415 -21.409 -7.180 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.874 -20.807 -7.943 1.00 0.00 H new ATOM 632 N ASP A 47 2.189 -17.291 -6.451 1.00 0.00 N ATOM 633 CA ASP A 47 2.615 -15.919 -6.200 1.00 0.00 C ATOM 634 C ASP A 47 1.632 -14.924 -6.809 1.00 0.00 C ATOM 635 O ASP A 47 1.333 -14.982 -8.002 1.00 0.00 O ATOM 636 CB ASP A 47 4.016 -15.685 -6.769 1.00 0.00 C ATOM 637 CG ASP A 47 4.169 -16.233 -8.173 1.00 0.00 C ATOM 638 OD1 ASP A 47 3.868 -17.428 -8.380 1.00 0.00 O ATOM 639 OD2 ASP A 47 4.591 -15.469 -9.067 1.00 0.00 O ATOM 0 H ASP A 47 2.862 -17.853 -6.973 1.00 0.00 H new ATOM 0 HA ASP A 47 2.639 -15.764 -5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.229 -14.616 -6.774 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.753 -16.154 -6.117 1.00 0.00 H new ATOM 644 N VAL A 48 1.132 -14.012 -5.982 1.00 0.00 N ATOM 645 CA VAL A 48 0.183 -13.004 -6.439 1.00 0.00 C ATOM 646 C VAL A 48 0.873 -11.665 -6.673 1.00 0.00 C ATOM 647 O VAL A 48 1.821 -11.312 -5.971 1.00 0.00 O ATOM 648 CB VAL A 48 -0.961 -12.809 -5.426 1.00 0.00 C ATOM 649 CG1 VAL A 48 -0.413 -12.342 -4.086 1.00 0.00 C ATOM 650 CG2 VAL A 48 -1.988 -11.825 -5.964 1.00 0.00 C ATOM 0 H VAL A 48 1.368 -13.950 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.232 -13.365 -7.380 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.456 -13.768 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.235 -12.209 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.281 -13.087 -3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.109 -11.394 -4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.789 -11.700 -5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.509 -10.863 -6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.403 -12.206 -6.897 1.00 0.00 H new ATOM 660 N LEU A 49 0.391 -10.923 -7.664 1.00 0.00 N ATOM 661 CA LEU A 49 0.961 -9.620 -7.991 1.00 0.00 C ATOM 662 C LEU A 49 0.013 -8.495 -7.589 1.00 0.00 C ATOM 663 O LEU A 49 -1.184 -8.546 -7.871 1.00 0.00 O ATOM 664 CB LEU A 49 1.264 -9.536 -9.488 1.00 0.00 C ATOM 665 CG LEU A 49 2.475 -10.334 -9.973 1.00 0.00 C ATOM 666 CD1 LEU A 49 3.760 -9.559 -9.722 1.00 0.00 C ATOM 667 CD2 LEU A 49 2.528 -11.693 -9.290 1.00 0.00 C ATOM 0 H LEU A 49 -0.393 -11.201 -8.255 1.00 0.00 H new ATOM 0 HA LEU A 49 1.889 -9.506 -7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.386 -9.878 -10.036 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.416 -8.489 -9.750 1.00 0.00 H new ATOM 0 HG LEU A 49 2.374 -10.493 -11.047 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.611 -10.142 -10.073 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.724 -8.611 -10.258 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.867 -9.368 -8.654 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.396 -12.246 -9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.605 -11.555 -8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.621 -12.252 -9.521 1.00 0.00 H new ATOM 679 N PHE A 50 0.558 -7.477 -6.931 1.00 0.00 N ATOM 680 CA PHE A 50 -0.238 -6.337 -6.491 1.00 0.00 C ATOM 681 C PHE A 50 0.172 -5.068 -7.232 1.00 0.00 C ATOM 682 O PHE A 50 1.288 -4.574 -7.070 1.00 0.00 O ATOM 683 CB PHE A 50 -0.084 -6.132 -4.982 1.00 0.00 C ATOM 684 CG PHE A 50 -1.097 -6.886 -4.168 1.00 0.00 C ATOM 685 CD1 PHE A 50 -2.361 -6.362 -3.952 1.00 0.00 C ATOM 686 CD2 PHE A 50 -0.784 -8.119 -3.619 1.00 0.00 C ATOM 687 CE1 PHE A 50 -3.295 -7.053 -3.204 1.00 0.00 C ATOM 688 CE2 PHE A 50 -1.714 -8.815 -2.870 1.00 0.00 C ATOM 689 CZ PHE A 50 -2.970 -8.281 -2.661 1.00 0.00 C ATOM 0 H PHE A 50 1.548 -7.418 -6.691 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.283 -6.547 -6.718 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.916 -6.443 -4.681 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.168 -5.069 -4.757 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.620 -5.402 -4.373 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.197 -8.541 -3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.277 -6.634 -3.044 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.458 -9.776 -2.448 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.697 -8.822 -2.074 1.00 0.00 H new ATOM 699 N VAL A 51 -0.738 -4.546 -8.048 1.00 0.00 N ATOM 700 CA VAL A 51 -0.473 -3.335 -8.815 1.00 0.00 C ATOM 701 C VAL A 51 -0.941 -2.094 -8.062 1.00 0.00 C ATOM 702 O VAL A 51 -2.103 -1.996 -7.667 1.00 0.00 O ATOM 703 CB VAL A 51 -1.164 -3.379 -10.191 1.00 0.00 C ATOM 704 CG1 VAL A 51 -0.912 -2.089 -10.956 1.00 0.00 C ATOM 705 CG2 VAL A 51 -0.688 -4.584 -10.988 1.00 0.00 C ATOM 0 H VAL A 51 -1.666 -4.943 -8.195 1.00 0.00 H new ATOM 0 HA VAL A 51 0.606 -3.282 -8.961 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.238 -3.477 -10.036 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.408 -2.138 -11.926 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.307 -1.246 -10.389 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.160 -1.957 -11.103 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.187 -4.599 -11.957 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.390 -4.520 -11.135 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.926 -5.498 -10.443 1.00 0.00 H new ATOM 715 N VAL A 52 -0.028 -1.148 -7.867 1.00 0.00 N ATOM 716 CA VAL A 52 -0.347 0.088 -7.164 1.00 0.00 C ATOM 717 C VAL A 52 -0.220 1.295 -8.087 1.00 0.00 C ATOM 718 O VAL A 52 0.703 1.374 -8.898 1.00 0.00 O ATOM 719 CB VAL A 52 0.569 0.291 -5.942 1.00 0.00 C ATOM 720 CG1 VAL A 52 2.031 0.268 -6.361 1.00 0.00 C ATOM 721 CG2 VAL A 52 0.230 1.594 -5.233 1.00 0.00 C ATOM 0 H VAL A 52 0.938 -1.214 -8.186 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.379 0.001 -6.825 1.00 0.00 H new ATOM 0 HB VAL A 52 0.403 -0.530 -5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.663 0.413 -5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.263 -0.693 -6.821 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.217 1.067 -7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.887 1.721 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.367 2.429 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.807 1.567 -4.898 1.00 0.00 H new ATOM 731 N ARG A 53 -1.152 2.234 -7.957 1.00 0.00 N ATOM 732 CA ARG A 53 -1.145 3.437 -8.780 1.00 0.00 C ATOM 733 C ARG A 53 -1.830 4.593 -8.058 1.00 0.00 C ATOM 734 O ARG A 53 -2.525 4.391 -7.063 1.00 0.00 O ATOM 735 CB ARG A 53 -1.841 3.171 -10.116 1.00 0.00 C ATOM 736 CG ARG A 53 -1.640 4.277 -11.138 1.00 0.00 C ATOM 737 CD ARG A 53 -1.947 3.796 -12.548 1.00 0.00 C ATOM 738 NE ARG A 53 -1.655 4.817 -13.550 1.00 0.00 N ATOM 739 CZ ARG A 53 -2.431 5.872 -13.772 1.00 0.00 C ATOM 740 NH1 ARG A 53 -3.540 6.044 -13.066 1.00 0.00 N ATOM 741 NH2 ARG A 53 -2.099 6.758 -14.703 1.00 0.00 N ATOM 0 H ARG A 53 -1.921 2.184 -7.289 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.107 3.713 -8.968 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.469 2.234 -10.530 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.909 3.040 -9.940 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.283 5.122 -10.893 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.612 4.635 -11.091 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.362 2.901 -12.761 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.998 3.513 -12.614 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.809 4.715 -14.110 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.799 5.365 -12.350 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.134 6.855 -13.239 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.247 6.629 -15.249 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.696 7.568 -14.872 1.00 0.00 H new ATOM 755 N GLN A 54 -1.628 5.805 -8.567 1.00 0.00 N ATOM 756 CA GLN A 54 -2.226 6.993 -7.970 1.00 0.00 C ATOM 757 C GLN A 54 -2.926 7.840 -9.028 1.00 0.00 C ATOM 758 O GLN A 54 -2.628 7.736 -10.217 1.00 0.00 O ATOM 759 CB GLN A 54 -1.157 7.825 -7.259 1.00 0.00 C ATOM 760 CG GLN A 54 -1.695 8.638 -6.093 1.00 0.00 C ATOM 761 CD GLN A 54 -0.615 9.020 -5.100 1.00 0.00 C ATOM 762 OE1 GLN A 54 0.542 8.623 -5.241 1.00 0.00 O ATOM 763 NE2 GLN A 54 -0.988 9.796 -4.089 1.00 0.00 N ATOM 0 H GLN A 54 -1.055 5.989 -9.391 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.968 6.668 -7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.373 7.160 -6.897 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.695 8.500 -7.979 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.169 9.542 -6.474 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.468 8.064 -5.581 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.958 10.102 -4.012 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.304 10.087 -3.390 1.00 0.00 H new ATOM 872 N THR A 62 6.776 9.551 -0.964 1.00 0.00 N ATOM 873 CA THR A 62 6.001 9.162 0.208 1.00 0.00 C ATOM 874 C THR A 62 6.335 7.739 0.641 1.00 0.00 C ATOM 875 O THR A 62 6.874 6.952 -0.137 1.00 0.00 O ATOM 876 CB THR A 62 4.488 9.263 -0.061 1.00 0.00 C ATOM 877 OG1 THR A 62 4.171 10.549 -0.604 1.00 0.00 O ATOM 878 CG2 THR A 62 3.695 9.036 1.217 1.00 0.00 C ATOM 0 HA THR A 62 6.268 9.854 1.007 1.00 0.00 H new ATOM 0 HB THR A 62 4.217 8.490 -0.780 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.992 11.075 -0.701 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.629 9.112 1.002 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.916 8.044 1.611 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.971 9.789 1.955 1.00 0.00 H new ATOM 886 N LYS A 63 6.012 7.414 1.888 1.00 0.00 N ATOM 887 CA LYS A 63 6.276 6.085 2.426 1.00 0.00 C ATOM 888 C LYS A 63 5.042 5.196 2.307 1.00 0.00 C ATOM 889 O LYS A 63 3.910 5.676 2.371 1.00 0.00 O ATOM 890 CB LYS A 63 6.709 6.182 3.890 1.00 0.00 C ATOM 891 CG LYS A 63 8.171 6.555 4.069 1.00 0.00 C ATOM 892 CD LYS A 63 9.059 5.324 4.114 1.00 0.00 C ATOM 893 CE LYS A 63 10.522 5.684 3.907 1.00 0.00 C ATOM 894 NZ LYS A 63 11.165 6.140 5.170 1.00 0.00 N ATOM 0 H LYS A 63 5.566 8.054 2.546 1.00 0.00 H new ATOM 0 HA LYS A 63 7.082 5.638 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.089 6.923 4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.524 5.225 4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.485 7.202 3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.292 7.126 4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.939 4.823 5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.744 4.619 3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.058 4.818 3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.600 6.470 3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.161 6.376 4.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.670 6.982 5.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.114 5.381 5.879 1.00 0.00 H new ATOM 908 N TYR A 64 5.269 3.898 2.137 1.00 0.00 N ATOM 909 CA TYR A 64 4.176 2.942 2.008 1.00 0.00 C ATOM 910 C TYR A 64 4.429 1.707 2.868 1.00 0.00 C ATOM 911 O TYR A 64 5.509 1.119 2.826 1.00 0.00 O ATOM 912 CB TYR A 64 3.998 2.531 0.546 1.00 0.00 C ATOM 913 CG TYR A 64 3.700 3.691 -0.377 1.00 0.00 C ATOM 914 CD1 TYR A 64 4.596 4.745 -0.512 1.00 0.00 C ATOM 915 CD2 TYR A 64 2.523 3.733 -1.114 1.00 0.00 C ATOM 916 CE1 TYR A 64 4.328 5.807 -1.353 1.00 0.00 C ATOM 917 CE2 TYR A 64 2.247 4.791 -1.959 1.00 0.00 C ATOM 918 CZ TYR A 64 3.152 5.826 -2.075 1.00 0.00 C ATOM 919 OH TYR A 64 2.882 6.881 -2.915 1.00 0.00 O ATOM 0 H TYR A 64 6.200 3.484 2.085 1.00 0.00 H new ATOM 0 HA TYR A 64 3.263 3.425 2.356 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.904 2.030 0.205 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.187 1.805 0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.518 4.733 0.051 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.812 2.925 -1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.035 6.618 -1.445 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.328 4.808 -2.526 1.00 0.00 H new ATOM 0 HH TYR A 64 3.217 6.678 -3.813 1.00 0.00 H new ATOM 929 N GLN A 65 3.423 1.319 3.646 1.00 0.00 N ATOM 930 CA GLN A 65 3.536 0.154 4.515 1.00 0.00 C ATOM 931 C GLN A 65 2.465 -0.880 4.182 1.00 0.00 C ATOM 932 O GLN A 65 1.291 -0.699 4.505 1.00 0.00 O ATOM 933 CB GLN A 65 3.418 0.573 5.982 1.00 0.00 C ATOM 934 CG GLN A 65 4.737 1.012 6.597 1.00 0.00 C ATOM 935 CD GLN A 65 4.706 1.003 8.113 1.00 0.00 C ATOM 936 OE1 GLN A 65 4.963 -0.023 8.744 1.00 0.00 O ATOM 937 NE2 GLN A 65 4.390 2.148 8.706 1.00 0.00 N ATOM 0 H GLN A 65 2.522 1.794 3.692 1.00 0.00 H new ATOM 0 HA GLN A 65 4.514 -0.297 4.350 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.700 1.389 6.061 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.018 -0.261 6.558 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.533 0.353 6.250 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.980 2.016 6.248 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.184 2.974 8.144 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.353 2.202 9.724 1.00 0.00 H new ATOM 946 N VAL A 66 2.878 -1.964 3.533 1.00 0.00 N ATOM 947 CA VAL A 66 1.955 -3.027 3.156 1.00 0.00 C ATOM 948 C VAL A 66 1.876 -4.096 4.240 1.00 0.00 C ATOM 949 O VAL A 66 2.899 -4.576 4.730 1.00 0.00 O ATOM 950 CB VAL A 66 2.372 -3.688 1.829 1.00 0.00 C ATOM 951 CG1 VAL A 66 1.340 -4.720 1.399 1.00 0.00 C ATOM 952 CG2 VAL A 66 2.566 -2.635 0.748 1.00 0.00 C ATOM 0 H VAL A 66 3.846 -2.129 3.257 1.00 0.00 H new ATOM 0 HA VAL A 66 0.975 -2.566 3.032 1.00 0.00 H new ATOM 0 HB VAL A 66 3.322 -4.200 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.652 -5.177 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.254 -5.490 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.374 -4.234 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.860 -3.119 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.632 -2.093 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.344 -1.937 1.056 1.00 0.00 H new ATOM 962 N ASP A 67 0.655 -4.465 4.611 1.00 0.00 N ATOM 963 CA ASP A 67 0.441 -5.480 5.637 1.00 0.00 C ATOM 964 C ASP A 67 -0.245 -6.709 5.051 1.00 0.00 C ATOM 965 O ASP A 67 -1.422 -6.664 4.691 1.00 0.00 O ATOM 966 CB ASP A 67 -0.398 -4.909 6.781 1.00 0.00 C ATOM 967 CG ASP A 67 -0.067 -3.459 7.074 1.00 0.00 C ATOM 968 OD1 ASP A 67 -0.205 -2.621 6.158 1.00 0.00 O ATOM 969 OD2 ASP A 67 0.329 -3.161 8.221 1.00 0.00 O ATOM 0 H ASP A 67 -0.202 -4.077 4.217 1.00 0.00 H new ATOM 0 HA ASP A 67 1.414 -5.780 6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.455 -4.994 6.530 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.235 -5.504 7.679 1.00 0.00 H new ATOM 974 N LEU A 68 0.498 -7.807 4.957 1.00 0.00 N ATOM 975 CA LEU A 68 -0.039 -9.049 4.413 1.00 0.00 C ATOM 976 C LEU A 68 -1.001 -9.704 5.398 1.00 0.00 C ATOM 977 O LEU A 68 -1.988 -10.323 5.000 1.00 0.00 O ATOM 978 CB LEU A 68 1.099 -10.015 4.076 1.00 0.00 C ATOM 979 CG LEU A 68 1.765 -9.818 2.714 1.00 0.00 C ATOM 980 CD1 LEU A 68 0.861 -10.321 1.599 1.00 0.00 C ATOM 981 CD2 LEU A 68 2.116 -8.353 2.499 1.00 0.00 C ATOM 0 H LEU A 68 1.473 -7.862 5.250 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.588 -8.810 3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.864 -9.928 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.711 -11.033 4.125 1.00 0.00 H new ATOM 0 HG LEU A 68 2.687 -10.399 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.352 -10.172 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.661 -11.383 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.079 -9.769 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.589 -8.231 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.208 -7.752 2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.803 -8.025 3.279 1.00 0.00 H new ATOM 993 N GLY A 69 -0.709 -9.562 6.688 1.00 0.00 N ATOM 994 CA GLY A 69 -1.559 -10.143 7.710 1.00 0.00 C ATOM 995 C GLY A 69 -1.110 -11.533 8.116 1.00 0.00 C ATOM 996 O GLY A 69 -1.371 -11.974 9.235 1.00 0.00 O ATOM 0 H GLY A 69 0.102 -9.055 7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.563 -9.495 8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.584 -10.188 7.343 1.00 0.00 H new ATOM 1000 N ASP A 70 -0.436 -12.225 7.204 1.00 0.00 N ATOM 1001 CA ASP A 70 0.050 -13.573 7.473 1.00 0.00 C ATOM 1002 C ASP A 70 1.466 -13.538 8.039 1.00 0.00 C ATOM 1003 O ASP A 70 2.306 -14.366 7.689 1.00 0.00 O ATOM 1004 CB ASP A 70 0.018 -14.413 6.196 1.00 0.00 C ATOM 1005 CG ASP A 70 0.592 -15.801 6.401 1.00 0.00 C ATOM 1006 OD1 ASP A 70 -0.077 -16.629 7.053 1.00 0.00 O ATOM 1007 OD2 ASP A 70 1.712 -16.060 5.911 1.00 0.00 O ATOM 0 H ASP A 70 -0.214 -11.875 6.272 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.606 -14.028 8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.011 -14.497 5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.581 -13.902 5.415 1.00 0.00 H new ATOM 1012 N GLY A 71 1.724 -12.573 8.917 1.00 0.00 N ATOM 1013 CA GLY A 71 3.039 -12.447 9.516 1.00 0.00 C ATOM 1014 C GLY A 71 4.000 -11.662 8.646 1.00 0.00 C ATOM 1015 O GLY A 71 4.867 -10.949 9.152 1.00 0.00 O ATOM 0 H GLY A 71 1.045 -11.876 9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.948 -11.957 10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.448 -13.441 9.699 1.00 0.00 H new ATOM 1019 N PHE A 72 3.849 -11.793 7.332 1.00 0.00 N ATOM 1020 CA PHE A 72 4.712 -11.092 6.389 1.00 0.00 C ATOM 1021 C PHE A 72 4.521 -9.581 6.497 1.00 0.00 C ATOM 1022 O PHE A 72 3.399 -9.080 6.439 1.00 0.00 O ATOM 1023 CB PHE A 72 4.423 -11.553 4.959 1.00 0.00 C ATOM 1024 CG PHE A 72 5.454 -11.104 3.964 1.00 0.00 C ATOM 1025 CD1 PHE A 72 5.369 -9.852 3.376 1.00 0.00 C ATOM 1026 CD2 PHE A 72 6.507 -11.934 3.615 1.00 0.00 C ATOM 1027 CE1 PHE A 72 6.317 -9.435 2.460 1.00 0.00 C ATOM 1028 CE2 PHE A 72 7.458 -11.522 2.700 1.00 0.00 C ATOM 1029 CZ PHE A 72 7.362 -10.272 2.121 1.00 0.00 C ATOM 0 H PHE A 72 3.137 -12.379 6.896 1.00 0.00 H new ATOM 0 HA PHE A 72 5.747 -11.329 6.637 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.363 -12.641 4.942 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.447 -11.175 4.654 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.553 -9.194 3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.586 -12.914 4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.240 -8.456 2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.276 -12.177 2.438 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.103 -9.949 1.404 1.00 0.00 H new ATOM 1039 N LYS A 73 5.627 -8.861 6.654 1.00 0.00 N ATOM 1040 CA LYS A 73 5.584 -7.408 6.769 1.00 0.00 C ATOM 1041 C LYS A 73 6.733 -6.767 5.997 1.00 0.00 C ATOM 1042 O LYS A 73 7.884 -7.186 6.118 1.00 0.00 O ATOM 1043 CB LYS A 73 5.649 -6.991 8.240 1.00 0.00 C ATOM 1044 CG LYS A 73 4.415 -7.378 9.037 1.00 0.00 C ATOM 1045 CD LYS A 73 4.621 -7.155 10.526 1.00 0.00 C ATOM 1046 CE LYS A 73 3.486 -7.756 11.342 1.00 0.00 C ATOM 1047 NZ LYS A 73 3.750 -9.178 11.696 1.00 0.00 N ATOM 0 H LYS A 73 6.564 -9.260 6.705 1.00 0.00 H new ATOM 0 HA LYS A 73 4.644 -7.062 6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.526 -7.447 8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.784 -5.911 8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.561 -6.793 8.695 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.177 -8.426 8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.567 -7.600 10.834 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.690 -6.086 10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.347 -7.175 12.253 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.557 -7.689 10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.869 -9.624 12.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.106 -9.684 10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.460 -9.221 12.455 1.00 0.00 H new ATOM 1061 N ALA A 74 6.412 -5.750 5.205 1.00 0.00 N ATOM 1062 CA ALA A 74 7.418 -5.049 4.416 1.00 0.00 C ATOM 1063 C ALA A 74 7.109 -3.558 4.332 1.00 0.00 C ATOM 1064 O ALA A 74 5.947 -3.154 4.340 1.00 0.00 O ATOM 1065 CB ALA A 74 7.508 -5.651 3.022 1.00 0.00 C ATOM 0 H ALA A 74 5.463 -5.393 5.092 1.00 0.00 H new ATOM 0 HA ALA A 74 8.381 -5.166 4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.263 -5.118 2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.784 -6.703 3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.542 -5.564 2.525 1.00 0.00 H new ATOM 1071 N MET A 75 8.157 -2.745 4.253 1.00 0.00 N ATOM 1072 CA MET A 75 7.997 -1.298 4.167 1.00 0.00 C ATOM 1073 C MET A 75 8.603 -0.760 2.875 1.00 0.00 C ATOM 1074 O MET A 75 9.824 -0.698 2.729 1.00 0.00 O ATOM 1075 CB MET A 75 8.650 -0.619 5.372 1.00 0.00 C ATOM 1076 CG MET A 75 8.738 0.893 5.243 1.00 0.00 C ATOM 1077 SD MET A 75 9.998 1.609 6.316 1.00 0.00 S ATOM 1078 CE MET A 75 11.279 1.992 5.125 1.00 0.00 C ATOM 0 H MET A 75 9.126 -3.063 4.247 1.00 0.00 H new ATOM 0 HA MET A 75 6.930 -1.075 4.167 1.00 0.00 H new ATOM 0 HB2 MET A 75 8.083 -0.867 6.270 1.00 0.00 H new ATOM 0 HB3 MET A 75 9.653 -1.023 5.507 1.00 0.00 H new ATOM 0 HG2 MET A 75 8.957 1.153 4.208 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.769 1.331 5.484 1.00 0.00 H new ATOM 0 HE1 MET A 75 12.099 2.507 5.626 1.00 0.00 H new ATOM 0 HE2 MET A 75 11.649 1.069 4.679 1.00 0.00 H new ATOM 0 HE3 MET A 75 10.870 2.634 4.345 1.00 0.00 H new ATOM 1088 N TYR A 76 7.743 -0.372 1.940 1.00 0.00 N ATOM 1089 CA TYR A 76 8.194 0.159 0.659 1.00 0.00 C ATOM 1090 C TYR A 76 8.145 1.683 0.653 1.00 0.00 C ATOM 1091 O TYR A 76 7.283 2.291 1.288 1.00 0.00 O ATOM 1092 CB TYR A 76 7.333 -0.395 -0.478 1.00 0.00 C ATOM 1093 CG TYR A 76 7.204 -1.901 -0.462 1.00 0.00 C ATOM 1094 CD1 TYR A 76 6.184 -2.523 0.248 1.00 0.00 C ATOM 1095 CD2 TYR A 76 8.103 -2.703 -1.155 1.00 0.00 C ATOM 1096 CE1 TYR A 76 6.063 -3.899 0.266 1.00 0.00 C ATOM 1097 CE2 TYR A 76 7.988 -4.079 -1.144 1.00 0.00 C ATOM 1098 CZ TYR A 76 6.967 -4.673 -0.432 1.00 0.00 C ATOM 1099 OH TYR A 76 6.850 -6.044 -0.417 1.00 0.00 O ATOM 0 H TYR A 76 6.729 -0.415 2.045 1.00 0.00 H new ATOM 0 HA TYR A 76 9.227 -0.153 0.509 1.00 0.00 H new ATOM 0 HB2 TYR A 76 6.338 0.047 -0.418 1.00 0.00 H new ATOM 0 HB3 TYR A 76 7.762 -0.086 -1.431 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.474 -1.920 0.795 1.00 0.00 H new ATOM 0 HD2 TYR A 76 8.905 -2.242 -1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.265 -4.366 0.824 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.694 -4.687 -1.690 1.00 0.00 H new ATOM 0 HH TYR A 76 7.564 -6.439 -0.959 1.00 0.00 H new ATOM 1109 N VAL A 77 9.078 2.296 -0.069 1.00 0.00 N ATOM 1110 CA VAL A 77 9.141 3.750 -0.161 1.00 0.00 C ATOM 1111 C VAL A 77 9.037 4.215 -1.609 1.00 0.00 C ATOM 1112 O VAL A 77 9.816 3.796 -2.464 1.00 0.00 O ATOM 1113 CB VAL A 77 10.447 4.294 0.448 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.655 3.683 -0.246 1.00 0.00 C ATOM 1115 CG2 VAL A 77 10.483 5.812 0.362 1.00 0.00 C ATOM 0 H VAL A 77 9.800 1.808 -0.599 1.00 0.00 H new ATOM 0 HA VAL A 77 8.294 4.140 0.404 1.00 0.00 H new ATOM 0 HB VAL A 77 10.482 4.012 1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 77 12.568 4.079 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.634 2.600 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.629 3.932 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.413 6.179 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.425 6.119 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.637 6.228 0.910 1.00 0.00 H new ATOM 1125 N ASN A 78 8.067 5.084 -1.877 1.00 0.00 N ATOM 1126 CA ASN A 78 7.860 5.606 -3.223 1.00 0.00 C ATOM 1127 C ASN A 78 7.350 4.514 -4.158 1.00 0.00 C ATOM 1128 O ASN A 78 7.694 4.483 -5.340 1.00 0.00 O ATOM 1129 CB ASN A 78 9.162 6.195 -3.770 1.00 0.00 C ATOM 1130 CG ASN A 78 9.944 6.951 -2.713 1.00 0.00 C ATOM 1131 OD1 ASN A 78 9.390 7.372 -1.697 1.00 0.00 O ATOM 1132 ND2 ASN A 78 11.239 7.127 -2.948 1.00 0.00 N ATOM 0 H ASN A 78 7.413 5.441 -1.181 1.00 0.00 H new ATOM 0 HA ASN A 78 7.108 6.393 -3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.781 5.392 -4.171 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.934 6.866 -4.599 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.816 7.628 -2.273 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.656 6.761 -3.804 1.00 0.00 H new ATOM 1139 N LEU A 79 6.528 3.620 -3.620 1.00 0.00 N ATOM 1140 CA LEU A 79 5.969 2.525 -4.406 1.00 0.00 C ATOM 1141 C LEU A 79 5.506 3.018 -5.773 1.00 0.00 C ATOM 1142 O LEU A 79 6.008 2.578 -6.808 1.00 0.00 O ATOM 1143 CB LEU A 79 4.799 1.881 -3.660 1.00 0.00 C ATOM 1144 CG LEU A 79 4.543 0.404 -3.961 1.00 0.00 C ATOM 1145 CD1 LEU A 79 5.809 -0.412 -3.749 1.00 0.00 C ATOM 1146 CD2 LEU A 79 3.412 -0.129 -3.094 1.00 0.00 C ATOM 0 H LEU A 79 6.234 3.631 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 79 6.751 1.780 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.974 1.988 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.893 2.441 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 79 4.247 0.313 -5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.607 -1.460 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.593 -0.047 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.136 -0.314 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.244 -1.182 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.679 -0.024 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.502 0.436 -3.296 1.00 0.00 H new ATOM 1158 N THR A 80 4.544 3.936 -5.771 1.00 0.00 N ATOM 1159 CA THR A 80 4.013 4.490 -7.011 1.00 0.00 C ATOM 1160 C THR A 80 5.137 4.898 -7.956 1.00 0.00 C ATOM 1161 O THR A 80 5.112 4.573 -9.144 1.00 0.00 O ATOM 1162 CB THR A 80 3.116 5.712 -6.741 1.00 0.00 C ATOM 1163 OG1 THR A 80 3.736 6.572 -5.778 1.00 0.00 O ATOM 1164 CG2 THR A 80 1.749 5.278 -6.234 1.00 0.00 C ATOM 0 H THR A 80 4.117 4.312 -4.924 1.00 0.00 H new ATOM 0 HA THR A 80 3.416 3.706 -7.478 1.00 0.00 H new ATOM 0 HB THR A 80 2.984 6.252 -7.678 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.183 7.371 -5.649 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.133 6.158 -6.050 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.267 4.647 -6.981 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.866 4.717 -5.307 1.00 0.00 H new ATOM 1172 N LEU A 81 6.123 5.610 -7.423 1.00 0.00 N ATOM 1173 CA LEU A 81 7.259 6.062 -8.220 1.00 0.00 C ATOM 1174 C LEU A 81 7.916 4.892 -8.944 1.00 0.00 C ATOM 1175 O LEU A 81 8.016 4.883 -10.171 1.00 0.00 O ATOM 1176 CB LEU A 81 8.284 6.767 -7.330 1.00 0.00 C ATOM 1177 CG LEU A 81 9.498 7.361 -8.045 1.00 0.00 C ATOM 1178 CD1 LEU A 81 10.013 8.582 -7.298 1.00 0.00 C ATOM 1179 CD2 LEU A 81 10.596 6.318 -8.187 1.00 0.00 C ATOM 0 H LEU A 81 6.159 5.887 -6.442 1.00 0.00 H new ATOM 0 HA LEU A 81 6.890 6.766 -8.966 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.778 7.567 -6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.639 6.055 -6.585 1.00 0.00 H new ATOM 0 HG LEU A 81 9.191 7.674 -9.043 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.877 8.991 -7.822 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.228 9.336 -7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.304 8.295 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.452 6.758 -8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.901 5.974 -7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.223 5.473 -8.766 1.00 0.00 H new ATOM 1191 N THR A 82 8.363 3.903 -8.175 1.00 0.00 N ATOM 1192 CA THR A 82 9.010 2.727 -8.743 1.00 0.00 C ATOM 1193 C THR A 82 8.033 1.913 -9.582 1.00 0.00 C ATOM 1194 O THR A 82 8.439 1.089 -10.401 1.00 0.00 O ATOM 1195 CB THR A 82 9.600 1.824 -7.642 1.00 0.00 C ATOM 1196 OG1 THR A 82 8.558 1.373 -6.769 1.00 0.00 O ATOM 1197 CG2 THR A 82 10.655 2.569 -6.839 1.00 0.00 C ATOM 0 H THR A 82 8.289 3.894 -7.158 1.00 0.00 H new ATOM 0 HA THR A 82 9.818 3.087 -9.380 1.00 0.00 H new ATOM 0 HB THR A 82 10.070 0.965 -8.120 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.741 1.885 -6.944 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.057 1.912 -6.068 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.460 2.886 -7.502 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.205 3.444 -6.371 1.00 0.00 H new ATOM 1205 N GLY A 83 6.741 2.149 -9.374 1.00 0.00 N ATOM 1206 CA GLY A 83 5.725 1.430 -10.120 1.00 0.00 C ATOM 1207 C GLY A 83 6.061 -0.039 -10.288 1.00 0.00 C ATOM 1208 O GLY A 83 5.994 -0.574 -11.394 1.00 0.00 O ATOM 0 H GLY A 83 6.380 2.826 -8.702 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.767 1.524 -9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.608 1.888 -11.102 1.00 0.00 H new ATOM 1212 N GLU A 84 6.423 -0.691 -9.188 1.00 0.00 N ATOM 1213 CA GLU A 84 6.773 -2.106 -9.220 1.00 0.00 C ATOM 1214 C GLU A 84 5.743 -2.938 -8.461 1.00 0.00 C ATOM 1215 O GLU A 84 5.292 -2.574 -7.374 1.00 0.00 O ATOM 1216 CB GLU A 84 8.163 -2.325 -8.620 1.00 0.00 C ATOM 1217 CG GLU A 84 9.297 -2.051 -9.594 1.00 0.00 C ATOM 1218 CD GLU A 84 9.391 -3.097 -10.688 1.00 0.00 C ATOM 1219 OE1 GLU A 84 8.691 -2.949 -11.712 1.00 0.00 O ATOM 1220 OE2 GLU A 84 10.165 -4.062 -10.521 1.00 0.00 O ATOM 0 H GLU A 84 6.482 -0.262 -8.264 1.00 0.00 H new ATOM 0 HA GLU A 84 6.780 -2.428 -10.261 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.279 -1.680 -7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.239 -3.353 -8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.154 -1.070 -10.046 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.240 -2.016 -9.048 1.00 0.00 H new ATOM 1227 N PRO A 85 5.361 -4.083 -9.045 1.00 0.00 N ATOM 1228 CA PRO A 85 4.380 -4.991 -8.442 1.00 0.00 C ATOM 1229 C PRO A 85 4.925 -5.692 -7.202 1.00 0.00 C ATOM 1230 O PRO A 85 6.125 -5.949 -7.100 1.00 0.00 O ATOM 1231 CB PRO A 85 4.108 -6.007 -9.554 1.00 0.00 C ATOM 1232 CG PRO A 85 5.339 -5.991 -10.393 1.00 0.00 C ATOM 1233 CD PRO A 85 5.857 -4.580 -10.340 1.00 0.00 C ATOM 0 HA PRO A 85 3.490 -4.462 -8.101 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.921 -7.000 -9.145 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.229 -5.731 -10.136 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.080 -6.694 -10.012 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.117 -6.287 -11.418 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.945 -4.549 -10.392 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.481 -3.982 -11.170 1.00 0.00 H new ATOM 1241 N ILE A 86 4.036 -5.998 -6.263 1.00 0.00 N ATOM 1242 CA ILE A 86 4.428 -6.670 -5.031 1.00 0.00 C ATOM 1243 C ILE A 86 4.086 -8.155 -5.082 1.00 0.00 C ATOM 1244 O ILE A 86 2.926 -8.540 -4.940 1.00 0.00 O ATOM 1245 CB ILE A 86 3.745 -6.039 -3.803 1.00 0.00 C ATOM 1246 CG1 ILE A 86 4.390 -4.693 -3.469 1.00 0.00 C ATOM 1247 CG2 ILE A 86 3.823 -6.981 -2.611 1.00 0.00 C ATOM 1248 CD1 ILE A 86 3.439 -3.712 -2.820 1.00 0.00 C ATOM 0 H ILE A 86 3.040 -5.791 -6.332 1.00 0.00 H new ATOM 0 HA ILE A 86 5.507 -6.551 -4.937 1.00 0.00 H new ATOM 0 HB ILE A 86 2.694 -5.868 -4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.237 -4.860 -2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.786 -4.252 -4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.336 -6.521 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.321 -7.918 -2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.868 -7.180 -2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.964 -2.780 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.604 -3.515 -3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.062 -4.133 -1.888 1.00 0.00 H new ATOM 1260 N ARG A 87 5.105 -8.985 -5.283 1.00 0.00 N ATOM 1261 CA ARG A 87 4.912 -10.428 -5.352 1.00 0.00 C ATOM 1262 C ARG A 87 4.796 -11.029 -3.954 1.00 0.00 C ATOM 1263 O ARG A 87 5.499 -10.618 -3.030 1.00 0.00 O ATOM 1264 CB ARG A 87 6.072 -11.083 -6.105 1.00 0.00 C ATOM 1265 CG ARG A 87 5.844 -12.554 -6.413 1.00 0.00 C ATOM 1266 CD ARG A 87 6.978 -13.131 -7.246 1.00 0.00 C ATOM 1267 NE ARG A 87 8.125 -13.507 -6.423 1.00 0.00 N ATOM 1268 CZ ARG A 87 9.358 -13.644 -6.900 1.00 0.00 C ATOM 1269 NH1 ARG A 87 9.602 -13.437 -8.186 1.00 0.00 N ATOM 1270 NH2 ARG A 87 10.349 -13.988 -6.088 1.00 0.00 N ATOM 0 H ARG A 87 6.072 -8.682 -5.401 1.00 0.00 H new ATOM 0 HA ARG A 87 3.983 -10.620 -5.889 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.237 -10.546 -7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.982 -10.981 -5.514 1.00 0.00 H new ATOM 0 HG2 ARG A 87 5.755 -13.112 -5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.901 -12.673 -6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.620 -14.005 -7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.290 -12.398 -7.990 1.00 0.00 H new ATOM 0 HE ARG A 87 7.971 -13.673 -5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.842 -13.172 -8.813 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.549 -13.543 -8.549 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.165 -14.147 -5.098 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.295 -14.093 -6.454 1.00 0.00 H new ATOM 1284 N HIS A 88 3.903 -12.002 -3.806 1.00 0.00 N ATOM 1285 CA HIS A 88 3.695 -12.659 -2.521 1.00 0.00 C ATOM 1286 C HIS A 88 2.985 -13.997 -2.704 1.00 0.00 C ATOM 1287 O HIS A 88 1.879 -14.056 -3.242 1.00 0.00 O ATOM 1288 CB HIS A 88 2.881 -11.760 -1.590 1.00 0.00 C ATOM 1289 CG HIS A 88 2.782 -12.280 -0.190 1.00 0.00 C ATOM 1290 ND1 HIS A 88 3.724 -12.013 0.781 1.00 0.00 N ATOM 1291 CD2 HIS A 88 1.843 -13.055 0.403 1.00 0.00 C ATOM 1292 CE1 HIS A 88 3.370 -12.602 1.909 1.00 0.00 C ATOM 1293 NE2 HIS A 88 2.232 -13.241 1.706 1.00 0.00 N ATOM 0 H HIS A 88 3.312 -12.353 -4.560 1.00 0.00 H new ATOM 0 HA HIS A 88 4.671 -12.844 -2.073 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.333 -10.768 -1.569 1.00 0.00 H new ATOM 0 HB3 HIS A 88 1.877 -11.644 -1.997 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.953 -13.453 -0.063 1.00 0.00 H new ATOM 0 HE1 HIS A 88 3.918 -12.567 2.839 1.00 0.00 H new ATOM 0 HE2 HIS A 88 1.725 -13.784 2.404 1.00 0.00 H new ATOM 1302 N ARG A 89 3.627 -15.070 -2.253 1.00 0.00 N ATOM 1303 CA ARG A 89 3.058 -16.407 -2.369 1.00 0.00 C ATOM 1304 C ARG A 89 2.503 -16.879 -1.028 1.00 0.00 C ATOM 1305 O ARG A 89 3.086 -16.615 0.024 1.00 0.00 O ATOM 1306 CB ARG A 89 4.115 -17.392 -2.871 1.00 0.00 C ATOM 1307 CG ARG A 89 3.686 -18.847 -2.773 1.00 0.00 C ATOM 1308 CD ARG A 89 4.866 -19.789 -2.954 1.00 0.00 C ATOM 1309 NE ARG A 89 4.675 -21.050 -2.242 1.00 0.00 N ATOM 1310 CZ ARG A 89 5.363 -22.154 -2.505 1.00 0.00 C ATOM 1311 NH1 ARG A 89 6.284 -22.154 -3.459 1.00 0.00 N ATOM 1312 NH2 ARG A 89 5.131 -23.263 -1.813 1.00 0.00 N ATOM 0 H ARG A 89 4.542 -15.039 -1.804 1.00 0.00 H new ATOM 0 HA ARG A 89 2.239 -16.366 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.351 -17.161 -3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 89 5.031 -17.253 -2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.222 -19.026 -1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.932 -19.057 -3.531 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.009 -19.990 -4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.775 -19.305 -2.596 1.00 0.00 H new ATOM 0 HE ARG A 89 3.974 -21.084 -1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.465 -21.304 -3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.811 -23.004 -3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.423 -23.267 -1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.660 -24.111 -2.016 1.00 0.00 H new ATOM 1326 N TYR A 90 1.375 -17.578 -1.074 1.00 0.00 N ATOM 1327 CA TYR A 90 0.739 -18.085 0.136 1.00 0.00 C ATOM 1328 C TYR A 90 0.963 -19.588 0.281 1.00 0.00 C ATOM 1329 O TYR A 90 1.223 -20.284 -0.700 1.00 0.00 O ATOM 1330 CB TYR A 90 -0.759 -17.781 0.117 1.00 0.00 C ATOM 1331 CG TYR A 90 -1.088 -16.338 0.427 1.00 0.00 C ATOM 1332 CD1 TYR A 90 -0.824 -15.798 1.679 1.00 0.00 C ATOM 1333 CD2 TYR A 90 -1.662 -15.514 -0.534 1.00 0.00 C ATOM 1334 CE1 TYR A 90 -1.123 -14.480 1.967 1.00 0.00 C ATOM 1335 CE2 TYR A 90 -1.963 -14.195 -0.256 1.00 0.00 C ATOM 1336 CZ TYR A 90 -1.693 -13.683 0.996 1.00 0.00 C ATOM 1337 OH TYR A 90 -1.991 -12.369 1.278 1.00 0.00 O ATOM 0 H TYR A 90 0.882 -17.807 -1.937 1.00 0.00 H new ATOM 0 HA TYR A 90 1.193 -17.584 0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.160 -18.034 -0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.261 -18.423 0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.377 -16.419 2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.876 -15.912 -1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.912 -14.076 2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.407 -13.568 -1.015 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.386 -11.946 0.487 1.00 0.00 H new ATOM 1347 N GLU A 91 0.858 -20.079 1.511 1.00 0.00 N ATOM 1348 CA GLU A 91 1.048 -21.499 1.785 1.00 0.00 C ATOM 1349 C GLU A 91 -0.293 -22.200 1.979 1.00 0.00 C ATOM 1350 O GLU A 91 -0.638 -23.120 1.236 1.00 0.00 O ATOM 1351 CB GLU A 91 1.921 -21.689 3.027 1.00 0.00 C ATOM 1352 CG GLU A 91 3.408 -21.541 2.756 1.00 0.00 C ATOM 1353 CD GLU A 91 4.207 -21.271 4.016 1.00 0.00 C ATOM 1354 OE1 GLU A 91 4.242 -22.153 4.898 1.00 0.00 O ATOM 1355 OE2 GLU A 91 4.799 -20.175 4.118 1.00 0.00 O ATOM 0 H GLU A 91 0.643 -19.515 2.333 1.00 0.00 H new ATOM 0 HA GLU A 91 1.550 -21.945 0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 91 1.624 -20.962 3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 91 1.733 -22.678 3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.779 -22.450 2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.565 -20.726 2.049 1.00 0.00 H new ATOM 1362 N SER A 92 -1.045 -21.760 2.982 1.00 0.00 N ATOM 1363 CA SER A 92 -2.346 -22.347 3.278 1.00 0.00 C ATOM 1364 C SER A 92 -3.472 -21.485 2.715 1.00 0.00 C ATOM 1365 O SER A 92 -3.401 -20.255 2.706 1.00 0.00 O ATOM 1366 CB SER A 92 -2.523 -22.515 4.788 1.00 0.00 C ATOM 1367 OG SER A 92 -2.107 -21.352 5.482 1.00 0.00 O ATOM 0 H SER A 92 -0.775 -20.998 3.604 1.00 0.00 H new ATOM 0 HA SER A 92 -2.390 -23.327 2.804 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.569 -22.723 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.946 -23.374 5.132 1.00 0.00 H new ATOM 0 HG SER A 92 -2.232 -21.484 6.445 1.00 0.00 H new ATOM 1373 N PRO A 93 -4.537 -22.143 2.234 1.00 0.00 N ATOM 1374 CA PRO A 93 -5.699 -21.457 1.662 1.00 0.00 C ATOM 1375 C PRO A 93 -6.512 -20.714 2.716 1.00 0.00 C ATOM 1376 O PRO A 93 -6.609 -21.153 3.862 1.00 0.00 O ATOM 1377 CB PRO A 93 -6.522 -22.598 1.058 1.00 0.00 C ATOM 1378 CG PRO A 93 -6.133 -23.803 1.844 1.00 0.00 C ATOM 1379 CD PRO A 93 -4.689 -23.608 2.213 1.00 0.00 C ATOM 0 HA PRO A 93 -5.407 -20.694 0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.591 -22.401 1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.301 -22.728 -0.001 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.753 -23.905 2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.267 -24.712 1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.459 -24.050 3.182 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.022 -24.071 1.485 1.00 0.00 H new ATOM 1387 N GLY A 94 -7.095 -19.587 2.322 1.00 0.00 N ATOM 1388 CA GLY A 94 -7.893 -18.801 3.245 1.00 0.00 C ATOM 1389 C GLY A 94 -7.835 -17.317 2.944 1.00 0.00 C ATOM 1390 O GLY A 94 -6.755 -16.755 2.762 1.00 0.00 O ATOM 0 H GLY A 94 -7.029 -19.203 1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.929 -19.137 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.543 -18.976 4.262 1.00 0.00 H new ATOM 1394 N ILE A 95 -9.000 -16.681 2.889 1.00 0.00 N ATOM 1395 CA ILE A 95 -9.078 -15.253 2.606 1.00 0.00 C ATOM 1396 C ILE A 95 -8.119 -14.464 3.492 1.00 0.00 C ATOM 1397 O ILE A 95 -8.116 -14.620 4.714 1.00 0.00 O ATOM 1398 CB ILE A 95 -10.507 -14.715 2.809 1.00 0.00 C ATOM 1399 CG1 ILE A 95 -11.410 -15.159 1.657 1.00 0.00 C ATOM 1400 CG2 ILE A 95 -10.491 -13.198 2.923 1.00 0.00 C ATOM 1401 CD1 ILE A 95 -12.078 -16.496 1.893 1.00 0.00 C ATOM 0 H ILE A 95 -9.903 -17.132 3.037 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.795 -15.123 1.561 1.00 0.00 H new ATOM 0 HB ILE A 95 -10.906 -15.125 3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.177 -14.402 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.819 -15.214 0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.508 -12.833 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.877 -12.904 3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.077 -12.769 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -12.703 -16.747 1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -11.317 -17.265 2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -12.697 -16.441 2.789 1.00 0.00 H new ATOM 1413 N TYR A 96 -7.309 -13.616 2.869 1.00 0.00 N ATOM 1414 CA TYR A 96 -6.345 -12.803 3.601 1.00 0.00 C ATOM 1415 C TYR A 96 -6.772 -11.338 3.622 1.00 0.00 C ATOM 1416 O TYR A 96 -7.569 -10.901 2.792 1.00 0.00 O ATOM 1417 CB TYR A 96 -4.956 -12.932 2.973 1.00 0.00 C ATOM 1418 CG TYR A 96 -4.340 -14.302 3.143 1.00 0.00 C ATOM 1419 CD1 TYR A 96 -3.805 -14.698 4.362 1.00 0.00 C ATOM 1420 CD2 TYR A 96 -4.291 -15.200 2.084 1.00 0.00 C ATOM 1421 CE1 TYR A 96 -3.240 -15.949 4.522 1.00 0.00 C ATOM 1422 CE2 TYR A 96 -3.730 -16.453 2.235 1.00 0.00 C ATOM 1423 CZ TYR A 96 -3.205 -16.823 3.455 1.00 0.00 C ATOM 1424 OH TYR A 96 -2.643 -18.070 3.609 1.00 0.00 O ATOM 0 H TYR A 96 -7.301 -13.473 1.859 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.307 -13.166 4.628 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.025 -12.703 1.910 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.295 -12.188 3.417 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.831 -14.016 5.199 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -4.699 -14.913 1.126 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.828 -16.241 5.477 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.703 -17.139 1.402 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.905 -18.642 2.858 1.00 0.00 H new ATOM 1434 N ARG A 97 -6.235 -10.586 4.577 1.00 0.00 N ATOM 1435 CA ARG A 97 -6.560 -9.171 4.707 1.00 0.00 C ATOM 1436 C ARG A 97 -5.330 -8.305 4.453 1.00 0.00 C ATOM 1437 O ARG A 97 -4.427 -8.230 5.287 1.00 0.00 O ATOM 1438 CB ARG A 97 -7.122 -8.881 6.100 1.00 0.00 C ATOM 1439 CG ARG A 97 -8.614 -9.149 6.223 1.00 0.00 C ATOM 1440 CD ARG A 97 -9.255 -8.256 7.273 1.00 0.00 C ATOM 1441 NE ARG A 97 -8.895 -8.661 8.629 1.00 0.00 N ATOM 1442 CZ ARG A 97 -9.293 -9.799 9.187 1.00 0.00 C ATOM 1443 NH1 ARG A 97 -10.060 -10.640 8.509 1.00 0.00 N ATOM 1444 NH2 ARG A 97 -8.923 -10.096 10.426 1.00 0.00 N ATOM 0 H ARG A 97 -5.573 -10.933 5.272 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.315 -8.927 3.960 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.591 -9.490 6.831 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.927 -7.839 6.352 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -9.095 -8.983 5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.777 -10.195 6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.946 -7.224 7.109 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -10.339 -8.286 7.161 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.305 -8.036 9.178 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -10.346 -10.414 7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.364 -11.513 8.940 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.333 -9.450 10.951 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.229 -10.970 10.854 1.00 0.00 H new ATOM 1458 N VAL A 98 -5.300 -7.652 3.296 1.00 0.00 N ATOM 1459 CA VAL A 98 -4.181 -6.791 2.932 1.00 0.00 C ATOM 1460 C VAL A 98 -4.528 -5.321 3.141 1.00 0.00 C ATOM 1461 O VAL A 98 -5.667 -4.905 2.928 1.00 0.00 O ATOM 1462 CB VAL A 98 -3.762 -7.004 1.465 1.00 0.00 C ATOM 1463 CG1 VAL A 98 -2.564 -6.133 1.120 1.00 0.00 C ATOM 1464 CG2 VAL A 98 -3.457 -8.472 1.207 1.00 0.00 C ATOM 0 H VAL A 98 -6.038 -7.703 2.594 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.349 -7.062 3.583 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.591 -6.710 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.282 -6.297 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.823 -5.084 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.727 -6.393 1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.163 -8.605 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.644 -8.795 1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.345 -9.070 1.412 1.00 0.00 H new ATOM 1474 N SER A 99 -3.538 -4.538 3.559 1.00 0.00 N ATOM 1475 CA SER A 99 -3.740 -3.114 3.801 1.00 0.00 C ATOM 1476 C SER A 99 -2.500 -2.316 3.407 1.00 0.00 C ATOM 1477 O SER A 99 -1.451 -2.885 3.104 1.00 0.00 O ATOM 1478 CB SER A 99 -4.073 -2.867 5.273 1.00 0.00 C ATOM 1479 OG SER A 99 -2.896 -2.647 6.032 1.00 0.00 O ATOM 0 H SER A 99 -2.589 -4.866 3.737 1.00 0.00 H new ATOM 0 HA SER A 99 -4.576 -2.781 3.187 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.732 -2.003 5.360 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.614 -3.723 5.675 1.00 0.00 H new ATOM 0 HG SER A 99 -3.136 -2.490 6.969 1.00 0.00 H new ATOM 1485 N VAL A 100 -2.630 -0.993 3.413 1.00 0.00 N ATOM 1486 CA VAL A 100 -1.521 -0.115 3.058 1.00 0.00 C ATOM 1487 C VAL A 100 -1.639 1.231 3.763 1.00 0.00 C ATOM 1488 O VAL A 100 -2.742 1.727 3.997 1.00 0.00 O ATOM 1489 CB VAL A 100 -1.455 0.118 1.537 1.00 0.00 C ATOM 1490 CG1 VAL A 100 -2.674 0.893 1.062 1.00 0.00 C ATOM 1491 CG2 VAL A 100 -0.172 0.846 1.165 1.00 0.00 C ATOM 0 H VAL A 100 -3.492 -0.506 3.660 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.607 -0.612 3.382 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.454 -0.851 1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.610 1.048 -0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.577 0.329 1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.710 1.859 1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.142 1.002 0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.141 1.810 1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.687 0.248 1.469 1.00 0.00 H new ATOM 1501 N ARG A 101 -0.496 1.819 4.099 1.00 0.00 N ATOM 1502 CA ARG A 101 -0.470 3.109 4.778 1.00 0.00 C ATOM 1503 C ARG A 101 0.486 4.072 4.081 1.00 0.00 C ATOM 1504 O ARG A 101 1.631 3.726 3.794 1.00 0.00 O ATOM 1505 CB ARG A 101 -0.056 2.931 6.240 1.00 0.00 C ATOM 1506 CG ARG A 101 -0.484 4.080 7.139 1.00 0.00 C ATOM 1507 CD ARG A 101 0.462 4.248 8.317 1.00 0.00 C ATOM 1508 NE ARG A 101 0.097 5.389 9.154 1.00 0.00 N ATOM 1509 CZ ARG A 101 0.793 5.772 10.218 1.00 0.00 C ATOM 1510 NH1 ARG A 101 1.884 5.109 10.574 1.00 0.00 N ATOM 1511 NH2 ARG A 101 0.397 6.820 10.929 1.00 0.00 N ATOM 0 H ARG A 101 0.425 1.422 3.912 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.474 3.531 4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.486 2.004 6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.028 2.825 6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.515 5.004 6.561 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.495 3.900 7.505 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.456 3.340 8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 101 1.480 4.379 7.949 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.738 5.920 8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.191 4.302 10.030 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.417 5.405 11.392 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.443 7.332 10.658 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.932 7.114 11.746 1.00 0.00 H new ATOM 1525 N ALA A 102 0.006 5.282 3.810 1.00 0.00 N ATOM 1526 CA ALA A 102 0.818 6.295 3.148 1.00 0.00 C ATOM 1527 C ALA A 102 0.762 7.621 3.900 1.00 0.00 C ATOM 1528 O ALA A 102 -0.316 8.169 4.130 1.00 0.00 O ATOM 1529 CB ALA A 102 0.358 6.482 1.710 1.00 0.00 C ATOM 0 H ALA A 102 -0.941 5.584 4.039 1.00 0.00 H new ATOM 0 HA ALA A 102 1.853 5.952 3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.973 7.241 1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.456 5.540 1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.685 6.799 1.700 1.00 0.00 H new ATOM 1535 N GLU A 103 1.929 8.130 4.280 1.00 0.00 N ATOM 1536 CA GLU A 103 2.012 9.391 5.007 1.00 0.00 C ATOM 1537 C GLU A 103 3.236 10.192 4.572 1.00 0.00 C ATOM 1538 O GLU A 103 4.367 9.848 4.909 1.00 0.00 O ATOM 1539 CB GLU A 103 2.067 9.133 6.515 1.00 0.00 C ATOM 1540 CG GLU A 103 2.420 10.366 7.330 1.00 0.00 C ATOM 1541 CD GLU A 103 2.165 10.176 8.813 1.00 0.00 C ATOM 1542 OE1 GLU A 103 0.997 10.306 9.235 1.00 0.00 O ATOM 1543 OE2 GLU A 103 3.134 9.899 9.551 1.00 0.00 O ATOM 0 H GLU A 103 2.830 7.689 4.097 1.00 0.00 H new ATOM 0 HA GLU A 103 1.119 9.972 4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.100 8.753 6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.801 8.353 6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.470 10.612 7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.837 11.214 6.970 1.00 0.00 H new ATOM 1550 N ASN A 104 2.998 11.261 3.819 1.00 0.00 N ATOM 1551 CA ASN A 104 4.081 12.111 3.336 1.00 0.00 C ATOM 1552 C ASN A 104 4.143 13.415 4.125 1.00 0.00 C ATOM 1553 O ASN A 104 3.280 13.691 4.960 1.00 0.00 O ATOM 1554 CB ASN A 104 3.895 12.411 1.847 1.00 0.00 C ATOM 1555 CG ASN A 104 5.184 12.852 1.181 1.00 0.00 C ATOM 1556 OD1 ASN A 104 6.009 12.025 0.792 1.00 0.00 O ATOM 1557 ND2 ASN A 104 5.363 14.161 1.048 1.00 0.00 N ATOM 0 H ASN A 104 2.066 11.559 3.530 1.00 0.00 H new ATOM 0 HA ASN A 104 5.020 11.577 3.478 1.00 0.00 H new ATOM 0 HB2 ASN A 104 3.515 11.521 1.345 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.142 13.190 1.727 1.00 0.00 H new ATOM 0 HD21 ASN A 104 6.212 14.518 0.608 1.00 0.00 H new ATOM 0 HD22 ASN A 104 4.652 14.810 1.385 1.00 0.00 H new ATOM 1564 N THR A 105 5.169 14.216 3.855 1.00 0.00 N ATOM 1565 CA THR A 105 5.345 15.490 4.540 1.00 0.00 C ATOM 1566 C THR A 105 4.120 16.381 4.367 1.00 0.00 C ATOM 1567 O THR A 105 3.906 17.315 5.139 1.00 0.00 O ATOM 1568 CB THR A 105 6.587 16.239 4.022 1.00 0.00 C ATOM 1569 OG1 THR A 105 7.768 15.475 4.290 1.00 0.00 O ATOM 1570 CG2 THR A 105 6.704 17.609 4.675 1.00 0.00 C ATOM 0 H THR A 105 5.891 14.004 3.166 1.00 0.00 H new ATOM 0 HA THR A 105 5.480 15.264 5.598 1.00 0.00 H new ATOM 0 HB THR A 105 6.479 16.374 2.946 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.553 15.958 3.956 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.588 18.119 4.294 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.817 18.199 4.444 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.791 17.491 5.755 1.00 0.00 H new ATOM 1578 N ALA A 106 3.317 16.084 3.350 1.00 0.00 N ATOM 1579 CA ALA A 106 2.111 16.856 3.078 1.00 0.00 C ATOM 1580 C ALA A 106 0.892 16.221 3.738 1.00 0.00 C ATOM 1581 O ALA A 106 0.393 16.714 4.749 1.00 0.00 O ATOM 1582 CB ALA A 106 1.894 16.986 1.578 1.00 0.00 C ATOM 0 H ALA A 106 3.480 15.314 2.701 1.00 0.00 H new ATOM 0 HA ALA A 106 2.244 17.851 3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.990 17.565 1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.749 17.492 1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.788 15.994 1.138 1.00 0.00 H new ATOM 1588 N GLY A 107 0.416 15.123 3.158 1.00 0.00 N ATOM 1589 CA GLY A 107 -0.742 14.439 3.703 1.00 0.00 C ATOM 1590 C GLY A 107 -0.482 12.966 3.951 1.00 0.00 C ATOM 1591 O GLY A 107 0.667 12.547 4.097 1.00 0.00 O ATOM 0 H GLY A 107 0.812 14.695 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.035 14.916 4.639 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.581 14.546 3.015 1.00 0.00 H new ATOM 1595 N HIS A 108 -1.551 12.178 4.002 1.00 0.00 N ATOM 1596 CA HIS A 108 -1.433 10.744 4.236 1.00 0.00 C ATOM 1597 C HIS A 108 -2.677 10.009 3.745 1.00 0.00 C ATOM 1598 O HIS A 108 -3.803 10.435 4.001 1.00 0.00 O ATOM 1599 CB HIS A 108 -1.215 10.464 5.723 1.00 0.00 C ATOM 1600 CG HIS A 108 -2.297 11.014 6.601 1.00 0.00 C ATOM 1601 ND1 HIS A 108 -3.506 10.380 6.792 1.00 0.00 N ATOM 1602 CD2 HIS A 108 -2.346 12.145 7.343 1.00 0.00 C ATOM 1603 CE1 HIS A 108 -4.253 11.098 7.612 1.00 0.00 C ATOM 1604 NE2 HIS A 108 -3.572 12.174 7.961 1.00 0.00 N ATOM 0 H HIS A 108 -2.509 12.509 3.884 1.00 0.00 H new ATOM 0 HA HIS A 108 -0.572 10.380 3.676 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -1.147 9.387 5.875 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -0.259 10.890 6.028 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.566 12.887 7.432 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -5.251 10.847 7.941 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -3.903 12.908 8.588 1.00 0.00 H new ATOM 1613 N ASP A 109 -2.465 8.904 3.038 1.00 0.00 N ATOM 1614 CA ASP A 109 -3.569 8.110 2.512 1.00 0.00 C ATOM 1615 C ASP A 109 -3.430 6.647 2.921 1.00 0.00 C ATOM 1616 O ASP A 109 -2.323 6.160 3.147 1.00 0.00 O ATOM 1617 CB ASP A 109 -3.626 8.223 0.987 1.00 0.00 C ATOM 1618 CG ASP A 109 -4.438 9.417 0.525 1.00 0.00 C ATOM 1619 OD1 ASP A 109 -4.246 10.518 1.084 1.00 0.00 O ATOM 1620 OD2 ASP A 109 -5.264 9.251 -0.396 1.00 0.00 O ATOM 0 H ASP A 109 -1.539 8.538 2.816 1.00 0.00 H new ATOM 0 HA ASP A 109 -4.496 8.499 2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.613 8.302 0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.058 7.312 0.574 1.00 0.00 H new ATOM 1625 N GLU A 110 -4.560 5.954 3.014 1.00 0.00 N ATOM 1626 CA GLU A 110 -4.563 4.547 3.398 1.00 0.00 C ATOM 1627 C GLU A 110 -5.628 3.774 2.624 1.00 0.00 C ATOM 1628 O GLU A 110 -6.634 4.340 2.199 1.00 0.00 O ATOM 1629 CB GLU A 110 -4.806 4.406 4.902 1.00 0.00 C ATOM 1630 CG GLU A 110 -5.289 3.025 5.313 1.00 0.00 C ATOM 1631 CD GLU A 110 -6.792 2.872 5.189 1.00 0.00 C ATOM 1632 OE1 GLU A 110 -7.524 3.653 5.831 1.00 0.00 O ATOM 1633 OE2 GLU A 110 -7.237 1.970 4.448 1.00 0.00 O ATOM 0 H GLU A 110 -5.485 6.343 2.829 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.586 4.128 3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.882 4.632 5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -5.542 5.147 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.799 2.274 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.992 2.832 6.344 1.00 0.00 H new ATOM 1640 N ALA A 111 -5.397 2.477 2.447 1.00 0.00 N ATOM 1641 CA ALA A 111 -6.336 1.626 1.727 1.00 0.00 C ATOM 1642 C ALA A 111 -6.302 0.198 2.260 1.00 0.00 C ATOM 1643 O ALA A 111 -5.359 -0.198 2.945 1.00 0.00 O ATOM 1644 CB ALA A 111 -6.028 1.643 0.237 1.00 0.00 C ATOM 0 H ALA A 111 -4.568 1.993 2.792 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.340 2.021 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.737 1.003 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.111 2.662 -0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -5.015 1.276 0.071 1.00 0.00 H new ATOM 1650 N VAL A 112 -7.338 -0.573 1.941 1.00 0.00 N ATOM 1651 CA VAL A 112 -7.426 -1.958 2.388 1.00 0.00 C ATOM 1652 C VAL A 112 -8.006 -2.851 1.297 1.00 0.00 C ATOM 1653 O VAL A 112 -9.045 -2.541 0.713 1.00 0.00 O ATOM 1654 CB VAL A 112 -8.292 -2.085 3.655 1.00 0.00 C ATOM 1655 CG1 VAL A 112 -8.318 -3.525 4.142 1.00 0.00 C ATOM 1656 CG2 VAL A 112 -7.782 -1.154 4.744 1.00 0.00 C ATOM 0 H VAL A 112 -8.127 -0.261 1.375 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.411 -2.282 2.617 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.312 -1.792 3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.935 -3.595 5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.734 -4.165 3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.303 -3.849 4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.406 -1.257 5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.753 -1.413 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.822 -0.124 4.390 1.00 0.00 H new ATOM 1666 N LEU A 113 -7.329 -3.961 1.027 1.00 0.00 N ATOM 1667 CA LEU A 113 -7.777 -4.902 0.006 1.00 0.00 C ATOM 1668 C LEU A 113 -7.983 -6.292 0.599 1.00 0.00 C ATOM 1669 O LEU A 113 -7.263 -6.703 1.509 1.00 0.00 O ATOM 1670 CB LEU A 113 -6.762 -4.967 -1.136 1.00 0.00 C ATOM 1671 CG LEU A 113 -7.306 -5.413 -2.494 1.00 0.00 C ATOM 1672 CD1 LEU A 113 -6.425 -4.892 -3.619 1.00 0.00 C ATOM 1673 CD2 LEU A 113 -7.412 -6.930 -2.554 1.00 0.00 C ATOM 0 H LEU A 113 -6.467 -4.232 1.501 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.732 -4.549 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.313 -3.980 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.962 -5.648 -0.846 1.00 0.00 H new ATOM 0 HG LEU A 113 -8.305 -4.995 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.828 -5.219 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.402 -3.803 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.414 -5.280 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -7.801 -7.229 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.426 -7.370 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -8.086 -7.279 -1.771 1.00 0.00 H new ATOM 1685 N PHE A 114 -8.969 -7.013 0.075 1.00 0.00 N ATOM 1686 CA PHE A 114 -9.269 -8.358 0.551 1.00 0.00 C ATOM 1687 C PHE A 114 -8.950 -9.398 -0.519 1.00 0.00 C ATOM 1688 O PHE A 114 -9.473 -9.339 -1.632 1.00 0.00 O ATOM 1689 CB PHE A 114 -10.740 -8.462 0.958 1.00 0.00 C ATOM 1690 CG PHE A 114 -10.991 -8.112 2.397 1.00 0.00 C ATOM 1691 CD1 PHE A 114 -10.714 -6.841 2.872 1.00 0.00 C ATOM 1692 CD2 PHE A 114 -11.504 -9.054 3.274 1.00 0.00 C ATOM 1693 CE1 PHE A 114 -10.943 -6.515 4.196 1.00 0.00 C ATOM 1694 CE2 PHE A 114 -11.736 -8.734 4.598 1.00 0.00 C ATOM 1695 CZ PHE A 114 -11.454 -7.463 5.060 1.00 0.00 C ATOM 0 H PHE A 114 -9.574 -6.688 -0.679 1.00 0.00 H new ATOM 0 HA PHE A 114 -8.644 -8.556 1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -11.332 -7.802 0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -11.089 -9.478 0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -10.314 -6.096 2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -11.725 -10.050 2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -10.722 -5.520 4.554 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -12.138 -9.477 5.271 1.00 0.00 H new ATOM 0 HZ PHE A 114 -11.633 -7.211 6.095 1.00 0.00 H new ATOM 1705 N VAL A 115 -8.089 -10.350 -0.174 1.00 0.00 N ATOM 1706 CA VAL A 115 -7.700 -11.403 -1.104 1.00 0.00 C ATOM 1707 C VAL A 115 -8.314 -12.741 -0.706 1.00 0.00 C ATOM 1708 O VAL A 115 -8.509 -13.017 0.477 1.00 0.00 O ATOM 1709 CB VAL A 115 -6.169 -11.554 -1.173 1.00 0.00 C ATOM 1710 CG1 VAL A 115 -5.790 -12.832 -1.905 1.00 0.00 C ATOM 1711 CG2 VAL A 115 -5.544 -10.340 -1.845 1.00 0.00 C ATOM 0 H VAL A 115 -7.647 -10.414 0.743 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.073 -11.112 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.782 -11.618 -0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.704 -12.921 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.206 -13.690 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.188 -12.802 -2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.462 -10.463 -1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.936 -10.242 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.786 -9.443 -1.274 1.00 0.00 H new ATOM 1721 N GLN A 116 -8.615 -13.567 -1.703 1.00 0.00 N ATOM 1722 CA GLN A 116 -9.207 -14.876 -1.457 1.00 0.00 C ATOM 1723 C GLN A 116 -8.429 -15.970 -2.181 1.00 0.00 C ATOM 1724 O GLN A 116 -8.194 -15.885 -3.387 1.00 0.00 O ATOM 1725 CB GLN A 116 -10.669 -14.891 -1.905 1.00 0.00 C ATOM 1726 CG GLN A 116 -10.869 -14.439 -3.343 1.00 0.00 C ATOM 1727 CD GLN A 116 -12.306 -14.061 -3.642 1.00 0.00 C ATOM 1728 OE1 GLN A 116 -12.617 -12.892 -3.871 1.00 0.00 O ATOM 1729 NE2 GLN A 116 -13.192 -15.050 -3.641 1.00 0.00 N ATOM 0 H GLN A 116 -8.459 -13.353 -2.688 1.00 0.00 H new ATOM 0 HA GLN A 116 -9.161 -15.072 -0.386 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -11.065 -15.900 -1.792 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -11.249 -14.245 -1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -10.223 -13.584 -3.544 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.560 -15.238 -4.017 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -12.890 -16.005 -3.446 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -14.174 -14.855 -3.835 1.00 0.00 H new ATOM 1738 N VAL A 117 -8.032 -16.999 -1.438 1.00 0.00 N ATOM 1739 CA VAL A 117 -7.282 -18.110 -2.010 1.00 0.00 C ATOM 1740 C VAL A 117 -7.892 -19.449 -1.610 1.00 0.00 C ATOM 1741 O VAL A 117 -7.720 -19.909 -0.481 1.00 0.00 O ATOM 1742 CB VAL A 117 -5.807 -18.078 -1.567 1.00 0.00 C ATOM 1743 CG1 VAL A 117 -5.700 -17.734 -0.089 1.00 0.00 C ATOM 1744 CG2 VAL A 117 -5.133 -19.410 -1.863 1.00 0.00 C ATOM 0 H VAL A 117 -8.218 -17.086 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.331 -18.001 -3.093 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.292 -17.302 -2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -4.651 -17.716 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -6.144 -16.755 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.229 -18.484 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -4.092 -19.370 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -5.647 -20.206 -1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -5.177 -19.610 -2.934 1.00 0.00 H new ATOM 1754 N SER A 118 -8.606 -20.070 -2.544 1.00 0.00 N ATOM 1755 CA SER A 118 -9.245 -21.355 -2.288 1.00 0.00 C ATOM 1756 C SER A 118 -8.311 -22.508 -2.645 1.00 0.00 C ATOM 1757 O SER A 118 -7.508 -22.406 -3.572 1.00 0.00 O ATOM 1758 CB SER A 118 -10.544 -21.471 -3.087 1.00 0.00 C ATOM 1759 OG SER A 118 -11.449 -22.365 -2.463 1.00 0.00 O ATOM 0 H SER A 118 -8.756 -19.704 -3.484 1.00 0.00 H new ATOM 0 HA SER A 118 -9.475 -21.412 -1.224 1.00 0.00 H new ATOM 0 HB2 SER A 118 -11.006 -20.488 -3.181 1.00 0.00 H new ATOM 0 HB3 SER A 118 -10.324 -21.818 -4.097 1.00 0.00 H new ATOM 0 HG SER A 118 -12.272 -22.420 -2.992 1.00 0.00 H new ATOM 1765 N GLY A 119 -8.422 -23.604 -1.901 1.00 0.00 N ATOM 1766 CA GLY A 119 -7.582 -24.760 -2.153 1.00 0.00 C ATOM 1767 C GLY A 119 -7.752 -25.305 -3.558 1.00 0.00 C ATOM 1768 O GLY A 119 -8.361 -24.674 -4.422 1.00 0.00 O ATOM 0 H GLY A 119 -9.079 -23.712 -1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -6.538 -24.488 -1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.820 -25.542 -1.432 1.00 0.00 H new