USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=12 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 180:sc= -0.0125 USER MOD Set 1.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 34 SER OG : rot -23:sc= 0.171 USER MOD Single : A 36 GLN : amide:sc= -0.0314 X(o=-0.031,f=-0.013) USER MOD Single : A 54 GLN : amide:sc= -5.09! C(o=-5.1!,f=-8.6!) USER MOD Single : A 62 THR OG1 : rot 29:sc= 0.0677 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -3.29! C(o=-3.3!,f=-6.4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.251 USER MOD Single : A 78 ASN : amide:sc= -7.23! C(o=-7.2!,f=-7.3!) USER MOD Single : A 82 THR OG1 : rot -2:sc= 1.04 USER MOD Single : A 88 HIS : no HD1:sc= -0.0413 X(o=-0.041,f=0.0012) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -171:sc= 1.09 USER MOD Single : A 99 SER OG : rot -150:sc= -1.37 USER MOD Single : A 104 ASN : amide:sc= -2.83 K(o=-2.8,f=-14!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.19) USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 340 N PRO A 27 -2.479 16.585 -0.277 1.00 0.00 N ATOM 341 CA PRO A 27 -2.547 15.295 0.416 1.00 0.00 C ATOM 342 C PRO A 27 -2.857 14.143 -0.533 1.00 0.00 C ATOM 343 O PRO A 27 -3.477 14.320 -1.582 1.00 0.00 O ATOM 344 CB PRO A 27 -3.691 15.488 1.414 1.00 0.00 C ATOM 345 CG PRO A 27 -4.546 16.548 0.809 1.00 0.00 C ATOM 346 CD PRO A 27 -3.610 17.462 0.068 1.00 0.00 C ATOM 0 HA PRO A 27 -1.597 15.032 0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.250 14.564 1.559 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.317 15.791 2.392 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.285 16.116 0.134 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.096 17.092 1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.079 17.882 -0.822 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.293 18.301 0.687 1.00 0.00 H new ATOM 354 N PRO A 28 -2.418 12.932 -0.159 1.00 0.00 N ATOM 355 CA PRO A 28 -2.638 11.726 -0.964 1.00 0.00 C ATOM 356 C PRO A 28 -4.102 11.299 -0.978 1.00 0.00 C ATOM 357 O PRO A 28 -4.707 11.087 0.073 1.00 0.00 O ATOM 358 CB PRO A 28 -1.779 10.670 -0.263 1.00 0.00 C ATOM 359 CG PRO A 28 -1.671 11.144 1.146 1.00 0.00 C ATOM 360 CD PRO A 28 -1.672 12.646 1.078 1.00 0.00 C ATOM 0 HA PRO A 28 -2.377 11.881 -2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.242 9.685 -0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.797 10.585 -0.729 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.505 10.780 1.745 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.758 10.775 1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.155 13.087 1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.659 13.047 1.038 1.00 0.00 H new ATOM 368 N ARG A 29 -4.665 11.173 -2.175 1.00 0.00 N ATOM 369 CA ARG A 29 -6.058 10.771 -2.326 1.00 0.00 C ATOM 370 C ARG A 29 -6.185 9.604 -3.301 1.00 0.00 C ATOM 371 O ARG A 29 -5.202 9.177 -3.905 1.00 0.00 O ATOM 372 CB ARG A 29 -6.901 11.951 -2.813 1.00 0.00 C ATOM 373 CG ARG A 29 -7.307 12.908 -1.704 1.00 0.00 C ATOM 374 CD ARG A 29 -8.607 12.478 -1.044 1.00 0.00 C ATOM 375 NE ARG A 29 -8.706 12.955 0.333 1.00 0.00 N ATOM 376 CZ ARG A 29 -9.565 12.466 1.220 1.00 0.00 C ATOM 377 NH1 ARG A 29 -10.394 11.490 0.877 1.00 0.00 N ATOM 378 NH2 ARG A 29 -9.595 12.952 2.455 1.00 0.00 N ATOM 0 H ARG A 29 -4.178 11.344 -3.055 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.425 10.449 -1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.339 12.501 -3.568 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.799 11.569 -3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.516 12.955 -0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.420 13.912 -2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.450 12.859 -1.621 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.678 11.390 -1.057 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.081 13.705 0.630 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.373 11.113 -0.070 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.053 11.116 1.560 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.958 13.702 2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.255 12.576 3.135 1.00 0.00 H new ATOM 392 N GLY A 30 -7.403 9.094 -3.450 1.00 0.00 N ATOM 393 CA GLY A 30 -7.637 7.981 -4.352 1.00 0.00 C ATOM 394 C GLY A 30 -6.655 6.846 -4.139 1.00 0.00 C ATOM 395 O GLY A 30 -6.496 5.982 -5.002 1.00 0.00 O ATOM 0 H GLY A 30 -8.233 9.432 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.652 7.610 -4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.566 8.331 -5.382 1.00 0.00 H new ATOM 399 N LEU A 31 -5.993 6.847 -2.987 1.00 0.00 N ATOM 400 CA LEU A 31 -5.020 5.810 -2.663 1.00 0.00 C ATOM 401 C LEU A 31 -5.695 4.448 -2.542 1.00 0.00 C ATOM 402 O LEU A 31 -6.527 4.234 -1.661 1.00 0.00 O ATOM 403 CB LEU A 31 -4.297 6.151 -1.359 1.00 0.00 C ATOM 404 CG LEU A 31 -3.070 5.300 -1.029 1.00 0.00 C ATOM 405 CD1 LEU A 31 -3.469 4.082 -0.212 1.00 0.00 C ATOM 406 CD2 LEU A 31 -2.355 4.878 -2.305 1.00 0.00 C ATOM 0 H LEU A 31 -6.112 7.554 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.293 5.763 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.989 7.196 -1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.008 6.060 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.384 5.902 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.583 3.489 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.935 4.405 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.175 3.478 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.484 4.273 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.034 4.294 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.034 5.764 -2.852 1.00 0.00 H new ATOM 418 N GLN A 32 -5.330 3.531 -3.432 1.00 0.00 N ATOM 419 CA GLN A 32 -5.900 2.189 -3.424 1.00 0.00 C ATOM 420 C GLN A 32 -4.978 1.201 -4.131 1.00 0.00 C ATOM 421 O GLN A 32 -4.235 1.571 -5.041 1.00 0.00 O ATOM 422 CB GLN A 32 -7.274 2.192 -4.094 1.00 0.00 C ATOM 423 CG GLN A 32 -7.896 0.809 -4.214 1.00 0.00 C ATOM 424 CD GLN A 32 -9.411 0.849 -4.216 1.00 0.00 C ATOM 425 OE1 GLN A 32 -10.032 1.352 -3.279 1.00 0.00 O ATOM 426 NE2 GLN A 32 -10.016 0.318 -5.273 1.00 0.00 N ATOM 0 H GLN A 32 -4.642 3.693 -4.168 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.011 1.875 -2.386 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.945 2.835 -3.525 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.183 2.628 -5.089 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.548 0.337 -5.132 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.554 0.188 -3.386 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.462 -0.088 -6.027 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.034 0.317 -5.330 1.00 0.00 H new ATOM 435 N VAL A 33 -5.029 -0.058 -3.706 1.00 0.00 N ATOM 436 CA VAL A 33 -4.199 -1.099 -4.299 1.00 0.00 C ATOM 437 C VAL A 33 -5.014 -1.985 -5.235 1.00 0.00 C ATOM 438 O VAL A 33 -6.244 -1.997 -5.181 1.00 0.00 O ATOM 439 CB VAL A 33 -3.545 -1.979 -3.218 1.00 0.00 C ATOM 440 CG1 VAL A 33 -2.364 -1.259 -2.585 1.00 0.00 C ATOM 441 CG2 VAL A 33 -4.567 -2.374 -2.162 1.00 0.00 C ATOM 0 H VAL A 33 -5.637 -0.381 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.418 -0.595 -4.868 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.174 -2.889 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.915 -1.897 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.623 -1.032 -3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.707 -0.332 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.087 -2.996 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.970 -1.477 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.377 -2.933 -2.631 1.00 0.00 H new ATOM 451 N SER A 34 -4.320 -2.726 -6.093 1.00 0.00 N ATOM 452 CA SER A 34 -4.979 -3.613 -7.044 1.00 0.00 C ATOM 453 C SER A 34 -4.106 -4.826 -7.351 1.00 0.00 C ATOM 454 O SER A 34 -2.898 -4.811 -7.112 1.00 0.00 O ATOM 455 CB SER A 34 -5.300 -2.861 -8.338 1.00 0.00 C ATOM 456 OG SER A 34 -4.118 -2.392 -8.961 1.00 0.00 O ATOM 0 H SER A 34 -3.302 -2.730 -6.149 1.00 0.00 H new ATOM 0 HA SER A 34 -5.909 -3.961 -6.594 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.838 -3.519 -9.021 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.958 -2.020 -8.120 1.00 0.00 H new ATOM 0 HG SER A 34 -3.405 -2.315 -8.293 1.00 0.00 H new ATOM 462 N ILE A 35 -4.726 -5.874 -7.882 1.00 0.00 N ATOM 463 CA ILE A 35 -4.007 -7.095 -8.222 1.00 0.00 C ATOM 464 C ILE A 35 -3.839 -7.232 -9.732 1.00 0.00 C ATOM 465 O ILE A 35 -4.820 -7.253 -10.475 1.00 0.00 O ATOM 466 CB ILE A 35 -4.729 -8.344 -7.682 1.00 0.00 C ATOM 467 CG1 ILE A 35 -4.743 -8.329 -6.152 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.059 -9.608 -8.199 1.00 0.00 C ATOM 469 CD1 ILE A 35 -5.694 -9.338 -5.547 1.00 0.00 C ATOM 0 H ILE A 35 -5.725 -5.902 -8.086 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.025 -7.023 -7.754 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.760 -8.332 -8.036 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.736 -8.526 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.018 -7.332 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.581 -10.482 -7.809 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.096 -9.620 -9.288 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.020 -9.629 -7.871 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.652 -9.271 -4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.709 -9.129 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.407 -10.342 -5.860 1.00 0.00 H new ATOM 481 N GLN A 36 -2.590 -7.326 -10.177 1.00 0.00 N ATOM 482 CA GLN A 36 -2.295 -7.462 -11.598 1.00 0.00 C ATOM 483 C GLN A 36 -3.370 -8.283 -12.302 1.00 0.00 C ATOM 484 O GLN A 36 -3.309 -9.512 -12.327 1.00 0.00 O ATOM 485 CB GLN A 36 -0.926 -8.115 -11.796 1.00 0.00 C ATOM 486 CG GLN A 36 -0.509 -8.224 -13.254 1.00 0.00 C ATOM 487 CD GLN A 36 -0.217 -6.875 -13.880 1.00 0.00 C ATOM 488 OE1 GLN A 36 0.908 -6.377 -13.814 1.00 0.00 O ATOM 489 NE2 GLN A 36 -1.230 -6.274 -14.492 1.00 0.00 N ATOM 0 H GLN A 36 -1.767 -7.310 -9.574 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.281 -6.464 -12.037 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.176 -7.539 -11.254 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.941 -9.112 -11.356 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.377 -8.854 -13.328 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.300 -8.718 -13.818 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.146 -6.722 -14.523 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.093 -5.364 -14.931 1.00 0.00 H new ATOM 498 N GLY A 37 -4.356 -7.596 -12.871 1.00 0.00 N ATOM 499 CA GLY A 37 -5.431 -8.279 -13.567 1.00 0.00 C ATOM 500 C GLY A 37 -6.567 -8.665 -12.641 1.00 0.00 C ATOM 501 O GLY A 37 -6.360 -9.373 -11.656 1.00 0.00 O ATOM 0 H GLY A 37 -4.429 -6.579 -12.862 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.814 -7.635 -14.359 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.037 -9.175 -14.047 1.00 0.00 H new ATOM 505 N GLU A 38 -7.771 -8.196 -12.957 1.00 0.00 N ATOM 506 CA GLU A 38 -8.943 -8.495 -12.143 1.00 0.00 C ATOM 507 C GLU A 38 -9.136 -10.002 -12.000 1.00 0.00 C ATOM 508 O GLU A 38 -9.518 -10.683 -12.951 1.00 0.00 O ATOM 509 CB GLU A 38 -10.194 -7.866 -12.761 1.00 0.00 C ATOM 510 CG GLU A 38 -11.344 -7.710 -11.780 1.00 0.00 C ATOM 511 CD GLU A 38 -12.439 -6.801 -12.305 1.00 0.00 C ATOM 512 OE1 GLU A 38 -12.859 -6.986 -13.466 1.00 0.00 O ATOM 513 OE2 GLU A 38 -12.874 -5.904 -11.553 1.00 0.00 O ATOM 0 H GLU A 38 -7.959 -7.609 -13.769 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.783 -8.071 -11.152 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.937 -6.887 -13.165 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.523 -8.480 -13.599 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.765 -8.691 -11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.963 -7.309 -10.840 1.00 0.00 H new ATOM 520 N ALA A 39 -8.869 -10.516 -10.804 1.00 0.00 N ATOM 521 CA ALA A 39 -9.015 -11.941 -10.534 1.00 0.00 C ATOM 522 C ALA A 39 -10.196 -12.207 -9.608 1.00 0.00 C ATOM 523 O ALA A 39 -10.482 -11.417 -8.708 1.00 0.00 O ATOM 524 CB ALA A 39 -7.733 -12.498 -9.933 1.00 0.00 C ATOM 0 H ALA A 39 -8.550 -9.966 -10.006 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.209 -12.447 -11.480 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.856 -13.563 -9.736 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.910 -12.351 -10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.514 -11.980 -9.000 1.00 0.00 H new ATOM 530 N VAL A 40 -10.879 -13.324 -9.833 1.00 0.00 N ATOM 531 CA VAL A 40 -12.030 -13.695 -9.018 1.00 0.00 C ATOM 532 C VAL A 40 -11.613 -14.583 -7.851 1.00 0.00 C ATOM 533 O VAL A 40 -11.961 -14.319 -6.701 1.00 0.00 O ATOM 534 CB VAL A 40 -13.097 -14.428 -9.852 1.00 0.00 C ATOM 535 CG1 VAL A 40 -14.243 -14.892 -8.966 1.00 0.00 C ATOM 536 CG2 VAL A 40 -13.606 -13.533 -10.972 1.00 0.00 C ATOM 0 H VAL A 40 -10.655 -13.989 -10.574 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.456 -12.769 -8.632 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.639 -15.309 -10.302 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -14.987 -15.408 -9.573 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.862 -15.572 -8.204 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -14.703 -14.029 -8.484 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -14.359 -14.067 -11.551 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -14.048 -12.632 -10.546 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.776 -13.257 -11.623 1.00 0.00 H new ATOM 546 N ALA A 41 -10.865 -15.639 -8.156 1.00 0.00 N ATOM 547 CA ALA A 41 -10.399 -16.566 -7.132 1.00 0.00 C ATOM 548 C ALA A 41 -8.925 -16.905 -7.330 1.00 0.00 C ATOM 549 O ALA A 41 -8.521 -17.363 -8.399 1.00 0.00 O ATOM 550 CB ALA A 41 -11.241 -17.833 -7.145 1.00 0.00 C ATOM 0 H ALA A 41 -10.569 -15.873 -9.104 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.507 -16.082 -6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.882 -18.516 -6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.283 -17.580 -6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.162 -18.312 -8.121 1.00 0.00 H new ATOM 556 N VAL A 42 -8.126 -16.677 -6.292 1.00 0.00 N ATOM 557 CA VAL A 42 -6.697 -16.960 -6.352 1.00 0.00 C ATOM 558 C VAL A 42 -6.401 -18.391 -5.919 1.00 0.00 C ATOM 559 O VAL A 42 -7.148 -18.981 -5.139 1.00 0.00 O ATOM 560 CB VAL A 42 -5.896 -15.990 -5.463 1.00 0.00 C ATOM 561 CG1 VAL A 42 -4.594 -16.633 -5.009 1.00 0.00 C ATOM 562 CG2 VAL A 42 -5.627 -14.688 -6.202 1.00 0.00 C ATOM 0 H VAL A 42 -8.444 -16.297 -5.400 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.391 -16.828 -7.390 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.490 -15.763 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.042 -15.933 -4.382 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.813 -17.536 -4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.993 -16.892 -5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.060 -14.015 -5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.054 -14.894 -7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.574 -14.220 -6.472 1.00 0.00 H new ATOM 572 N ARG A 43 -5.306 -18.944 -6.430 1.00 0.00 N ATOM 573 CA ARG A 43 -4.911 -20.307 -6.097 1.00 0.00 C ATOM 574 C ARG A 43 -4.123 -20.341 -4.791 1.00 0.00 C ATOM 575 O ARG A 43 -3.307 -19.464 -4.506 1.00 0.00 O ATOM 576 CB ARG A 43 -4.072 -20.908 -7.227 1.00 0.00 C ATOM 577 CG ARG A 43 -4.903 -21.485 -8.361 1.00 0.00 C ATOM 578 CD ARG A 43 -5.185 -20.442 -9.431 1.00 0.00 C ATOM 579 NE ARG A 43 -5.995 -20.980 -10.521 1.00 0.00 N ATOM 580 CZ ARG A 43 -5.529 -21.823 -11.436 1.00 0.00 C ATOM 581 NH1 ARG A 43 -4.265 -22.222 -11.391 1.00 0.00 N ATOM 582 NH2 ARG A 43 -6.327 -22.269 -12.397 1.00 0.00 N ATOM 0 H ARG A 43 -4.676 -18.469 -7.077 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.817 -20.900 -5.971 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.412 -20.138 -7.627 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.436 -21.693 -6.818 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.378 -22.331 -8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.845 -21.867 -7.966 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.700 -19.593 -8.982 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.242 -20.069 -9.830 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.972 -20.693 -10.583 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.649 -21.882 -10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.909 -22.869 -12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.300 -21.965 -12.434 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.968 -22.916 -13.099 1.00 0.00 H new ATOM 596 N PRO A 44 -4.372 -21.377 -3.976 1.00 0.00 N ATOM 597 CA PRO A 44 -3.696 -21.550 -2.687 1.00 0.00 C ATOM 598 C PRO A 44 -2.221 -21.905 -2.848 1.00 0.00 C ATOM 599 O PRO A 44 -1.852 -23.078 -2.856 1.00 0.00 O ATOM 600 CB PRO A 44 -4.457 -22.711 -2.041 1.00 0.00 C ATOM 601 CG PRO A 44 -5.025 -23.476 -3.186 1.00 0.00 C ATOM 602 CD PRO A 44 -5.331 -22.460 -4.252 1.00 0.00 C ATOM 0 HA PRO A 44 -3.705 -20.634 -2.096 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.794 -23.333 -1.440 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.243 -22.349 -1.378 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.316 -24.220 -3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.926 -24.013 -2.888 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.194 -22.873 -5.252 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.361 -22.110 -4.190 1.00 0.00 H new ATOM 610 N GLY A 45 -1.382 -20.881 -2.976 1.00 0.00 N ATOM 611 CA GLY A 45 0.043 -21.106 -3.135 1.00 0.00 C ATOM 612 C GLY A 45 0.565 -20.601 -4.465 1.00 0.00 C ATOM 613 O GLY A 45 1.630 -21.017 -4.919 1.00 0.00 O ATOM 0 H GLY A 45 -1.664 -19.901 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.579 -20.609 -2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.251 -22.172 -3.048 1.00 0.00 H new ATOM 617 N GLU A 46 -0.189 -19.703 -5.093 1.00 0.00 N ATOM 618 CA GLU A 46 0.204 -19.143 -6.381 1.00 0.00 C ATOM 619 C GLU A 46 0.601 -17.677 -6.238 1.00 0.00 C ATOM 620 O GLU A 46 -0.238 -16.820 -5.958 1.00 0.00 O ATOM 621 CB GLU A 46 -0.939 -19.278 -7.390 1.00 0.00 C ATOM 622 CG GLU A 46 -0.801 -18.359 -8.592 1.00 0.00 C ATOM 623 CD GLU A 46 0.316 -18.783 -9.526 1.00 0.00 C ATOM 624 OE1 GLU A 46 0.504 -20.004 -9.710 1.00 0.00 O ATOM 625 OE2 GLU A 46 1.002 -17.894 -10.072 1.00 0.00 O ATOM 0 H GLU A 46 -1.074 -19.348 -4.731 1.00 0.00 H new ATOM 0 HA GLU A 46 1.067 -19.701 -6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.987 -20.310 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.883 -19.066 -6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.742 -18.342 -9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.615 -17.342 -8.247 1.00 0.00 H new ATOM 632 N ASP A 47 1.884 -17.396 -6.433 1.00 0.00 N ATOM 633 CA ASP A 47 2.394 -16.034 -6.327 1.00 0.00 C ATOM 634 C ASP A 47 1.392 -15.034 -6.896 1.00 0.00 C ATOM 635 O ASP A 47 0.913 -15.189 -8.019 1.00 0.00 O ATOM 636 CB ASP A 47 3.731 -15.908 -7.059 1.00 0.00 C ATOM 637 CG ASP A 47 3.765 -16.711 -8.345 1.00 0.00 C ATOM 638 OD1 ASP A 47 3.992 -17.937 -8.272 1.00 0.00 O ATOM 639 OD2 ASP A 47 3.565 -16.114 -9.423 1.00 0.00 O ATOM 0 H ASP A 47 2.591 -18.094 -6.666 1.00 0.00 H new ATOM 0 HA ASP A 47 2.545 -15.810 -5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.921 -14.859 -7.284 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.534 -16.244 -6.403 1.00 0.00 H new ATOM 644 N VAL A 48 1.079 -14.007 -6.112 1.00 0.00 N ATOM 645 CA VAL A 48 0.135 -12.980 -6.537 1.00 0.00 C ATOM 646 C VAL A 48 0.812 -11.618 -6.637 1.00 0.00 C ATOM 647 O VAL A 48 1.635 -11.258 -5.795 1.00 0.00 O ATOM 648 CB VAL A 48 -1.058 -12.879 -5.568 1.00 0.00 C ATOM 649 CG1 VAL A 48 -0.603 -12.354 -4.215 1.00 0.00 C ATOM 650 CG2 VAL A 48 -2.146 -11.993 -6.154 1.00 0.00 C ATOM 0 H VAL A 48 1.466 -13.864 -5.179 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.230 -13.273 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.472 -13.877 -5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.459 -12.289 -3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.139 -13.031 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.163 -11.365 -4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.981 -11.933 -5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.747 -10.994 -6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.491 -12.416 -7.097 1.00 0.00 H new ATOM 660 N LEU A 49 0.460 -10.863 -7.672 1.00 0.00 N ATOM 661 CA LEU A 49 1.032 -9.538 -7.883 1.00 0.00 C ATOM 662 C LEU A 49 0.076 -8.449 -7.409 1.00 0.00 C ATOM 663 O LEU A 49 -1.135 -8.538 -7.616 1.00 0.00 O ATOM 664 CB LEU A 49 1.363 -9.334 -9.363 1.00 0.00 C ATOM 665 CG LEU A 49 2.491 -10.200 -9.925 1.00 0.00 C ATOM 666 CD1 LEU A 49 3.845 -9.660 -9.492 1.00 0.00 C ATOM 667 CD2 LEU A 49 2.324 -11.646 -9.480 1.00 0.00 C ATOM 0 H LEU A 49 -0.219 -11.146 -8.378 1.00 0.00 H new ATOM 0 HA LEU A 49 1.949 -9.468 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.462 -9.524 -9.946 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.626 -8.287 -9.515 1.00 0.00 H new ATOM 0 HG LEU A 49 2.441 -10.167 -11.013 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.635 -10.289 -9.901 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.965 -8.641 -9.860 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.907 -9.662 -8.404 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.135 -12.248 -9.889 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.347 -11.697 -8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.370 -12.030 -9.841 1.00 0.00 H new ATOM 679 N PHE A 50 0.626 -7.421 -6.772 1.00 0.00 N ATOM 680 CA PHE A 50 -0.178 -6.313 -6.269 1.00 0.00 C ATOM 681 C PHE A 50 0.292 -4.988 -6.860 1.00 0.00 C ATOM 682 O PHE A 50 1.354 -4.477 -6.503 1.00 0.00 O ATOM 683 CB PHE A 50 -0.108 -6.257 -4.742 1.00 0.00 C ATOM 684 CG PHE A 50 -1.170 -7.075 -4.063 1.00 0.00 C ATOM 685 CD1 PHE A 50 -2.476 -6.619 -3.995 1.00 0.00 C ATOM 686 CD2 PHE A 50 -0.861 -8.299 -3.492 1.00 0.00 C ATOM 687 CE1 PHE A 50 -3.456 -7.369 -3.371 1.00 0.00 C ATOM 688 CE2 PHE A 50 -1.836 -9.053 -2.868 1.00 0.00 C ATOM 689 CZ PHE A 50 -3.135 -8.587 -2.806 1.00 0.00 C ATOM 0 H PHE A 50 1.626 -7.332 -6.592 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.212 -6.479 -6.573 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.872 -6.607 -4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.198 -5.220 -4.420 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.732 -5.666 -4.435 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.153 -8.668 -3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.471 -7.002 -3.326 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.583 -10.007 -2.429 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.898 -9.174 -2.317 1.00 0.00 H new ATOM 699 N VAL A 51 -0.506 -4.435 -7.768 1.00 0.00 N ATOM 700 CA VAL A 51 -0.173 -3.169 -8.410 1.00 0.00 C ATOM 701 C VAL A 51 -0.675 -1.987 -7.587 1.00 0.00 C ATOM 702 O VAL A 51 -1.756 -2.040 -7.000 1.00 0.00 O ATOM 703 CB VAL A 51 -0.770 -3.083 -9.827 1.00 0.00 C ATOM 704 CG1 VAL A 51 -0.379 -1.773 -10.493 1.00 0.00 C ATOM 705 CG2 VAL A 51 -0.324 -4.271 -10.665 1.00 0.00 C ATOM 0 H VAL A 51 -1.388 -4.844 -8.076 1.00 0.00 H new ATOM 0 HA VAL A 51 0.914 -3.126 -8.479 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.857 -3.111 -9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.810 -1.731 -11.493 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.753 -0.938 -9.901 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.707 -1.710 -10.563 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.755 -4.194 -11.663 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.763 -4.277 -10.739 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.660 -5.195 -10.195 1.00 0.00 H new ATOM 715 N VAL A 52 0.118 -0.921 -7.547 1.00 0.00 N ATOM 716 CA VAL A 52 -0.246 0.275 -6.797 1.00 0.00 C ATOM 717 C VAL A 52 -0.190 1.516 -7.681 1.00 0.00 C ATOM 718 O VAL A 52 0.727 1.675 -8.487 1.00 0.00 O ATOM 719 CB VAL A 52 0.680 0.480 -5.584 1.00 0.00 C ATOM 720 CG1 VAL A 52 2.133 0.552 -6.027 1.00 0.00 C ATOM 721 CG2 VAL A 52 0.284 1.734 -4.818 1.00 0.00 C ATOM 0 H VAL A 52 1.017 -0.861 -8.025 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.267 0.129 -6.445 1.00 0.00 H new ATOM 0 HB VAL A 52 0.571 -0.375 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.772 0.697 -5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.407 -0.377 -6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.263 1.387 -6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.949 1.864 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.362 2.601 -5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.743 1.637 -4.467 1.00 0.00 H new ATOM 731 N ARG A 53 -1.176 2.393 -7.524 1.00 0.00 N ATOM 732 CA ARG A 53 -1.239 3.620 -8.308 1.00 0.00 C ATOM 733 C ARG A 53 -2.040 4.693 -7.576 1.00 0.00 C ATOM 734 O ARG A 53 -3.009 4.390 -6.880 1.00 0.00 O ATOM 735 CB ARG A 53 -1.866 3.345 -9.676 1.00 0.00 C ATOM 736 CG ARG A 53 -1.841 4.544 -10.610 1.00 0.00 C ATOM 737 CD ARG A 53 -2.600 4.263 -11.897 1.00 0.00 C ATOM 738 NE ARG A 53 -4.035 4.489 -11.747 1.00 0.00 N ATOM 739 CZ ARG A 53 -4.923 4.238 -12.702 1.00 0.00 C ATOM 740 NH1 ARG A 53 -4.525 3.754 -13.871 1.00 0.00 N ATOM 741 NH2 ARG A 53 -6.212 4.469 -12.490 1.00 0.00 N ATOM 0 H ARG A 53 -1.942 2.276 -6.861 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.221 3.984 -8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.338 2.516 -10.148 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.899 3.026 -9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.280 5.407 -10.108 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.808 4.803 -10.844 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.214 4.901 -12.692 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.426 3.231 -12.203 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.374 4.860 -10.859 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.535 3.574 -14.038 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.209 3.562 -14.603 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.523 4.840 -11.592 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.892 4.276 -13.225 1.00 0.00 H new ATOM 755 N GLN A 54 -1.629 5.946 -7.738 1.00 0.00 N ATOM 756 CA GLN A 54 -2.308 7.063 -7.091 1.00 0.00 C ATOM 757 C GLN A 54 -3.083 7.892 -8.109 1.00 0.00 C ATOM 758 O GLN A 54 -2.600 8.149 -9.211 1.00 0.00 O ATOM 759 CB GLN A 54 -1.297 7.947 -6.359 1.00 0.00 C ATOM 760 CG GLN A 54 -1.891 8.707 -5.184 1.00 0.00 C ATOM 761 CD GLN A 54 -1.801 7.933 -3.884 1.00 0.00 C ATOM 762 OE1 GLN A 54 -2.787 7.800 -3.157 1.00 0.00 O ATOM 763 NE2 GLN A 54 -0.616 7.415 -3.583 1.00 0.00 N ATOM 0 H GLN A 54 -0.829 6.214 -8.312 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.015 6.656 -6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.476 7.326 -6.001 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.873 8.661 -7.065 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.372 9.659 -5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.936 8.936 -5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.174 7.549 -4.214 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.496 6.883 -2.721 1.00 0.00 H new ATOM 872 N THR A 62 7.261 9.126 -1.432 1.00 0.00 N ATOM 873 CA THR A 62 6.316 8.797 -0.373 1.00 0.00 C ATOM 874 C THR A 62 6.578 7.402 0.184 1.00 0.00 C ATOM 875 O THR A 62 6.860 6.466 -0.564 1.00 0.00 O ATOM 876 CB THR A 62 4.861 8.872 -0.874 1.00 0.00 C ATOM 877 OG1 THR A 62 4.583 10.184 -1.375 1.00 0.00 O ATOM 878 CG2 THR A 62 3.886 8.532 0.242 1.00 0.00 C ATOM 0 HA THR A 62 6.459 9.534 0.417 1.00 0.00 H new ATOM 0 HB THR A 62 4.738 8.144 -1.676 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.409 10.586 -1.716 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.865 8.592 -0.136 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.082 7.521 0.601 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.011 9.239 1.062 1.00 0.00 H new ATOM 886 N LYS A 63 6.483 7.269 1.503 1.00 0.00 N ATOM 887 CA LYS A 63 6.707 5.988 2.162 1.00 0.00 C ATOM 888 C LYS A 63 5.389 5.256 2.393 1.00 0.00 C ATOM 889 O LYS A 63 4.465 5.798 3.000 1.00 0.00 O ATOM 890 CB LYS A 63 7.428 6.196 3.496 1.00 0.00 C ATOM 891 CG LYS A 63 8.816 6.796 3.350 1.00 0.00 C ATOM 892 CD LYS A 63 9.737 6.348 4.473 1.00 0.00 C ATOM 893 CE LYS A 63 11.200 6.514 4.093 1.00 0.00 C ATOM 894 NZ LYS A 63 11.629 7.939 4.145 1.00 0.00 N ATOM 0 H LYS A 63 6.252 8.034 2.137 1.00 0.00 H new ATOM 0 HA LYS A 63 7.331 5.377 1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.824 6.847 4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.508 5.238 4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.241 6.503 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.745 7.884 3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.525 6.927 5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.539 5.303 4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.820 5.923 4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.361 6.123 3.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.632 8.009 3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.055 8.499 3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.500 8.305 5.110 1.00 0.00 H new ATOM 908 N TYR A 64 5.309 4.023 1.905 1.00 0.00 N ATOM 909 CA TYR A 64 4.103 3.218 2.058 1.00 0.00 C ATOM 910 C TYR A 64 4.364 2.011 2.955 1.00 0.00 C ATOM 911 O TYR A 64 5.486 1.512 3.030 1.00 0.00 O ATOM 912 CB TYR A 64 3.600 2.751 0.691 1.00 0.00 C ATOM 913 CG TYR A 64 3.433 3.874 -0.308 1.00 0.00 C ATOM 914 CD1 TYR A 64 4.500 4.299 -1.090 1.00 0.00 C ATOM 915 CD2 TYR A 64 2.208 4.509 -0.471 1.00 0.00 C ATOM 916 CE1 TYR A 64 4.352 5.325 -2.003 1.00 0.00 C ATOM 917 CE2 TYR A 64 2.051 5.535 -1.383 1.00 0.00 C ATOM 918 CZ TYR A 64 3.126 5.939 -2.146 1.00 0.00 C ATOM 919 OH TYR A 64 2.974 6.961 -3.056 1.00 0.00 O ATOM 0 H TYR A 64 6.065 3.559 1.400 1.00 0.00 H new ATOM 0 HA TYR A 64 3.339 3.839 2.527 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.298 2.018 0.287 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.644 2.244 0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.461 3.819 -0.982 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.364 4.195 0.125 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.192 5.644 -2.602 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.092 6.018 -1.498 1.00 0.00 H new ATOM 0 HH TYR A 64 2.049 7.284 -3.033 1.00 0.00 H new ATOM 929 N GLN A 65 3.318 1.549 3.632 1.00 0.00 N ATOM 930 CA GLN A 65 3.433 0.401 4.525 1.00 0.00 C ATOM 931 C GLN A 65 2.491 -0.719 4.095 1.00 0.00 C ATOM 932 O GLN A 65 1.280 -0.637 4.297 1.00 0.00 O ATOM 933 CB GLN A 65 3.128 0.816 5.965 1.00 0.00 C ATOM 934 CG GLN A 65 3.572 -0.206 6.999 1.00 0.00 C ATOM 935 CD GLN A 65 2.822 -1.518 6.883 1.00 0.00 C ATOM 936 OE1 GLN A 65 1.596 -1.538 6.776 1.00 0.00 O ATOM 937 NE2 GLN A 65 3.557 -2.624 6.904 1.00 0.00 N ATOM 0 H GLN A 65 2.382 1.951 3.580 1.00 0.00 H new ATOM 0 HA GLN A 65 4.457 0.031 4.471 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.619 1.767 6.172 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.056 0.982 6.067 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.640 -0.391 6.885 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.424 0.205 7.997 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.571 -2.561 6.994 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.107 -3.537 6.830 1.00 0.00 H new ATOM 946 N VAL A 66 3.056 -1.765 3.500 1.00 0.00 N ATOM 947 CA VAL A 66 2.267 -2.902 3.042 1.00 0.00 C ATOM 948 C VAL A 66 2.102 -3.938 4.149 1.00 0.00 C ATOM 949 O VAL A 66 3.085 -4.441 4.693 1.00 0.00 O ATOM 950 CB VAL A 66 2.911 -3.575 1.816 1.00 0.00 C ATOM 951 CG1 VAL A 66 2.044 -4.721 1.318 1.00 0.00 C ATOM 952 CG2 VAL A 66 3.147 -2.555 0.711 1.00 0.00 C ATOM 0 H VAL A 66 4.057 -1.848 3.324 1.00 0.00 H new ATOM 0 HA VAL A 66 1.287 -2.515 2.761 1.00 0.00 H new ATOM 0 HB VAL A 66 3.876 -3.985 2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.516 -5.184 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.931 -5.462 2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.063 -4.339 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.603 -3.048 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.196 -2.114 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.812 -1.772 1.075 1.00 0.00 H new ATOM 962 N ASP A 67 0.854 -4.252 4.476 1.00 0.00 N ATOM 963 CA ASP A 67 0.559 -5.229 5.517 1.00 0.00 C ATOM 964 C ASP A 67 -0.275 -6.380 4.962 1.00 0.00 C ATOM 965 O ASP A 67 -1.453 -6.210 4.645 1.00 0.00 O ATOM 966 CB ASP A 67 -0.178 -4.562 6.679 1.00 0.00 C ATOM 967 CG ASP A 67 -0.462 -5.526 7.815 1.00 0.00 C ATOM 968 OD1 ASP A 67 -1.312 -6.422 7.634 1.00 0.00 O ATOM 969 OD2 ASP A 67 0.166 -5.384 8.885 1.00 0.00 O ATOM 0 H ASP A 67 0.030 -3.844 4.035 1.00 0.00 H new ATOM 0 HA ASP A 67 1.504 -5.632 5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.418 -3.730 7.053 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.118 -4.144 6.317 1.00 0.00 H new ATOM 974 N LEU A 68 0.343 -7.550 4.847 1.00 0.00 N ATOM 975 CA LEU A 68 -0.341 -8.729 4.329 1.00 0.00 C ATOM 976 C LEU A 68 -1.344 -9.266 5.345 1.00 0.00 C ATOM 977 O LEU A 68 -2.491 -9.556 5.007 1.00 0.00 O ATOM 978 CB LEU A 68 0.673 -9.817 3.972 1.00 0.00 C ATOM 979 CG LEU A 68 1.408 -9.639 2.643 1.00 0.00 C ATOM 980 CD1 LEU A 68 0.514 -10.046 1.481 1.00 0.00 C ATOM 981 CD2 LEU A 68 1.876 -8.201 2.480 1.00 0.00 C ATOM 0 H LEU A 68 1.317 -7.707 5.106 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.883 -8.438 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.414 -9.871 4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.155 -10.776 3.952 1.00 0.00 H new ATOM 0 HG LEU A 68 2.285 -10.286 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.053 -9.913 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.229 -11.092 1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.382 -9.425 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.397 -8.094 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.014 -7.534 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.553 -7.944 3.295 1.00 0.00 H new ATOM 993 N GLY A 69 -0.903 -9.396 6.593 1.00 0.00 N ATOM 994 CA GLY A 69 -1.775 -9.896 7.639 1.00 0.00 C ATOM 995 C GLY A 69 -1.303 -11.222 8.202 1.00 0.00 C ATOM 996 O GLY A 69 -1.065 -11.344 9.404 1.00 0.00 O ATOM 0 H GLY A 69 0.042 -9.164 6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.830 -9.162 8.443 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.784 -10.011 7.243 1.00 0.00 H new ATOM 1000 N ASP A 70 -1.170 -12.218 7.334 1.00 0.00 N ATOM 1001 CA ASP A 70 -0.724 -13.542 7.751 1.00 0.00 C ATOM 1002 C ASP A 70 0.497 -13.443 8.661 1.00 0.00 C ATOM 1003 O ASP A 70 0.465 -13.883 9.809 1.00 0.00 O ATOM 1004 CB ASP A 70 -0.396 -14.402 6.529 1.00 0.00 C ATOM 1005 CG ASP A 70 0.197 -13.592 5.394 1.00 0.00 C ATOM 1006 OD1 ASP A 70 -0.552 -12.817 4.763 1.00 0.00 O ATOM 1007 OD2 ASP A 70 1.411 -13.732 5.136 1.00 0.00 O ATOM 0 H ASP A 70 -1.365 -12.134 6.336 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.534 -14.012 8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.305 -15.185 6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.303 -14.897 6.183 1.00 0.00 H new ATOM 1012 N GLY A 71 1.573 -12.862 8.138 1.00 0.00 N ATOM 1013 CA GLY A 71 2.789 -12.716 8.916 1.00 0.00 C ATOM 1014 C GLY A 71 3.914 -12.086 8.120 1.00 0.00 C ATOM 1015 O GLY A 71 5.090 -12.342 8.383 1.00 0.00 O ATOM 0 H GLY A 71 1.624 -12.490 7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.583 -12.105 9.795 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.106 -13.695 9.276 1.00 0.00 H new ATOM 1019 N PHE A 72 3.556 -11.260 7.143 1.00 0.00 N ATOM 1020 CA PHE A 72 4.544 -10.593 6.304 1.00 0.00 C ATOM 1021 C PHE A 72 4.430 -9.077 6.429 1.00 0.00 C ATOM 1022 O PHE A 72 3.347 -8.510 6.281 1.00 0.00 O ATOM 1023 CB PHE A 72 4.369 -11.010 4.843 1.00 0.00 C ATOM 1024 CG PHE A 72 5.604 -10.814 4.011 1.00 0.00 C ATOM 1025 CD1 PHE A 72 6.776 -11.488 4.316 1.00 0.00 C ATOM 1026 CD2 PHE A 72 5.594 -9.956 2.923 1.00 0.00 C ATOM 1027 CE1 PHE A 72 7.914 -11.308 3.553 1.00 0.00 C ATOM 1028 CE2 PHE A 72 6.728 -9.773 2.156 1.00 0.00 C ATOM 1029 CZ PHE A 72 7.890 -10.451 2.471 1.00 0.00 C ATOM 0 H PHE A 72 2.588 -11.036 6.913 1.00 0.00 H new ATOM 0 HA PHE A 72 5.535 -10.894 6.644 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.078 -12.060 4.806 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.551 -10.437 4.406 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.800 -12.162 5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.688 -9.424 2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.822 -11.837 3.803 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.706 -9.101 1.311 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.778 -10.311 1.872 1.00 0.00 H new ATOM 1039 N LYS A 73 5.555 -8.425 6.703 1.00 0.00 N ATOM 1040 CA LYS A 73 5.583 -6.974 6.848 1.00 0.00 C ATOM 1041 C LYS A 73 6.785 -6.379 6.122 1.00 0.00 C ATOM 1042 O LYS A 73 7.877 -6.945 6.142 1.00 0.00 O ATOM 1043 CB LYS A 73 5.626 -6.589 8.329 1.00 0.00 C ATOM 1044 CG LYS A 73 4.252 -6.465 8.965 1.00 0.00 C ATOM 1045 CD LYS A 73 4.285 -5.568 10.191 1.00 0.00 C ATOM 1046 CE LYS A 73 4.373 -4.100 9.805 1.00 0.00 C ATOM 1047 NZ LYS A 73 3.761 -3.218 10.837 1.00 0.00 N ATOM 0 H LYS A 73 6.460 -8.879 6.829 1.00 0.00 H new ATOM 0 HA LYS A 73 4.674 -6.571 6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.203 -7.336 8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.153 -5.641 8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.548 -6.062 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.889 -7.454 9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.389 -5.735 10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.139 -5.833 10.814 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.418 -3.823 9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.871 -3.945 8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.841 -2.225 10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.757 -3.465 10.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.257 -3.347 11.742 1.00 0.00 H new ATOM 1061 N ALA A 74 6.576 -5.232 5.483 1.00 0.00 N ATOM 1062 CA ALA A 74 7.644 -4.558 4.754 1.00 0.00 C ATOM 1063 C ALA A 74 7.226 -3.149 4.348 1.00 0.00 C ATOM 1064 O ALA A 74 6.041 -2.870 4.166 1.00 0.00 O ATOM 1065 CB ALA A 74 8.038 -5.368 3.528 1.00 0.00 C ATOM 0 H ALA A 74 5.677 -4.750 5.455 1.00 0.00 H new ATOM 0 HA ALA A 74 8.507 -4.477 5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.836 -4.853 2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.386 -6.353 3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.174 -5.479 2.872 1.00 0.00 H new ATOM 1071 N MET A 75 8.207 -2.263 4.209 1.00 0.00 N ATOM 1072 CA MET A 75 7.941 -0.882 3.824 1.00 0.00 C ATOM 1073 C MET A 75 8.628 -0.543 2.505 1.00 0.00 C ATOM 1074 O MET A 75 9.854 -0.594 2.401 1.00 0.00 O ATOM 1075 CB MET A 75 8.414 0.075 4.919 1.00 0.00 C ATOM 1076 CG MET A 75 8.410 1.535 4.494 1.00 0.00 C ATOM 1077 SD MET A 75 9.489 2.558 5.513 1.00 0.00 S ATOM 1078 CE MET A 75 10.920 2.708 4.446 1.00 0.00 C ATOM 0 H MET A 75 9.193 -2.477 4.357 1.00 0.00 H new ATOM 0 HA MET A 75 6.865 -0.769 3.692 1.00 0.00 H new ATOM 0 HB2 MET A 75 7.774 -0.042 5.794 1.00 0.00 H new ATOM 0 HB3 MET A 75 9.423 -0.204 5.223 1.00 0.00 H new ATOM 0 HG2 MET A 75 8.724 1.607 3.453 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.392 1.922 4.547 1.00 0.00 H new ATOM 0 HE1 MET A 75 11.679 3.316 4.939 1.00 0.00 H new ATOM 0 HE2 MET A 75 11.326 1.717 4.240 1.00 0.00 H new ATOM 0 HE3 MET A 75 10.627 3.182 3.509 1.00 0.00 H new ATOM 1088 N TYR A 76 7.831 -0.198 1.500 1.00 0.00 N ATOM 1089 CA TYR A 76 8.363 0.146 0.186 1.00 0.00 C ATOM 1090 C TYR A 76 8.153 1.627 -0.115 1.00 0.00 C ATOM 1091 O TYR A 76 7.019 2.101 -0.195 1.00 0.00 O ATOM 1092 CB TYR A 76 7.698 -0.706 -0.896 1.00 0.00 C ATOM 1093 CG TYR A 76 7.520 -2.155 -0.502 1.00 0.00 C ATOM 1094 CD1 TYR A 76 8.560 -2.870 0.079 1.00 0.00 C ATOM 1095 CD2 TYR A 76 6.311 -2.808 -0.710 1.00 0.00 C ATOM 1096 CE1 TYR A 76 8.401 -4.194 0.440 1.00 0.00 C ATOM 1097 CE2 TYR A 76 6.144 -4.131 -0.350 1.00 0.00 C ATOM 1098 CZ TYR A 76 7.192 -4.820 0.223 1.00 0.00 C ATOM 1099 OH TYR A 76 7.030 -6.138 0.583 1.00 0.00 O ATOM 0 H TYR A 76 6.815 -0.149 1.570 1.00 0.00 H new ATOM 0 HA TYR A 76 9.434 -0.057 0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 76 6.723 -0.280 -1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.297 -0.656 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 76 9.508 -2.383 0.251 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.489 -2.272 -1.161 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.220 -4.736 0.890 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.197 -4.623 -0.516 1.00 0.00 H new ATOM 0 HH TYR A 76 6.120 -6.428 0.364 1.00 0.00 H new ATOM 1109 N VAL A 77 9.254 2.352 -0.283 1.00 0.00 N ATOM 1110 CA VAL A 77 9.192 3.779 -0.578 1.00 0.00 C ATOM 1111 C VAL A 77 9.079 4.026 -2.078 1.00 0.00 C ATOM 1112 O VAL A 77 9.342 3.135 -2.885 1.00 0.00 O ATOM 1113 CB VAL A 77 10.432 4.518 -0.039 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.680 4.088 -0.796 1.00 0.00 C ATOM 1115 CG2 VAL A 77 10.235 6.023 -0.130 1.00 0.00 C ATOM 0 H VAL A 77 10.200 1.975 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 77 8.303 4.166 -0.081 1.00 0.00 H new ATOM 0 HB VAL A 77 10.564 4.255 1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 77 12.546 4.620 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.827 3.015 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.562 4.321 -1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.120 6.530 0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.078 6.307 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.366 6.313 0.460 1.00 0.00 H new ATOM 1125 N ASN A 78 8.686 5.241 -2.444 1.00 0.00 N ATOM 1126 CA ASN A 78 8.538 5.606 -3.849 1.00 0.00 C ATOM 1127 C ASN A 78 8.014 4.428 -4.664 1.00 0.00 C ATOM 1128 O ASN A 78 8.415 4.225 -5.811 1.00 0.00 O ATOM 1129 CB ASN A 78 9.877 6.079 -4.418 1.00 0.00 C ATOM 1130 CG ASN A 78 11.045 5.255 -3.911 1.00 0.00 C ATOM 1131 OD1 ASN A 78 11.219 4.100 -4.299 1.00 0.00 O ATOM 1132 ND2 ASN A 78 11.851 5.848 -3.037 1.00 0.00 N ATOM 0 H ASN A 78 8.464 5.990 -1.788 1.00 0.00 H new ATOM 0 HA ASN A 78 7.816 6.420 -3.914 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.845 6.027 -5.506 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.032 7.125 -4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.653 5.344 -2.659 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.668 6.808 -2.744 1.00 0.00 H new ATOM 1139 N LEU A 79 7.115 3.655 -4.065 1.00 0.00 N ATOM 1140 CA LEU A 79 6.534 2.496 -4.736 1.00 0.00 C ATOM 1141 C LEU A 79 5.923 2.893 -6.076 1.00 0.00 C ATOM 1142 O LEU A 79 6.204 2.278 -7.105 1.00 0.00 O ATOM 1143 CB LEU A 79 5.469 1.850 -3.848 1.00 0.00 C ATOM 1144 CG LEU A 79 4.922 0.505 -4.327 1.00 0.00 C ATOM 1145 CD1 LEU A 79 6.014 -0.554 -4.306 1.00 0.00 C ATOM 1146 CD2 LEU A 79 3.741 0.073 -3.470 1.00 0.00 C ATOM 0 H LEU A 79 6.772 3.809 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 79 7.331 1.775 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.889 1.715 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.635 2.545 -3.751 1.00 0.00 H new ATOM 0 HG LEU A 79 4.576 0.621 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.606 -1.504 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.829 -0.250 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.391 -0.668 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.365 -0.886 -3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.061 -0.025 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.950 0.820 -3.537 1.00 0.00 H new ATOM 1158 N THR A 80 5.086 3.926 -6.057 1.00 0.00 N ATOM 1159 CA THR A 80 4.437 4.405 -7.270 1.00 0.00 C ATOM 1160 C THR A 80 5.461 4.724 -8.353 1.00 0.00 C ATOM 1161 O THR A 80 5.314 4.307 -9.503 1.00 0.00 O ATOM 1162 CB THR A 80 3.590 5.662 -6.994 1.00 0.00 C ATOM 1163 OG1 THR A 80 4.374 6.638 -6.299 1.00 0.00 O ATOM 1164 CG2 THR A 80 2.357 5.315 -6.173 1.00 0.00 C ATOM 0 H THR A 80 4.842 4.447 -5.214 1.00 0.00 H new ATOM 0 HA THR A 80 3.784 3.604 -7.617 1.00 0.00 H new ATOM 0 HB THR A 80 3.266 6.072 -7.951 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.829 7.435 -6.129 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.775 6.218 -5.991 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.748 4.595 -6.719 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.664 4.883 -5.220 1.00 0.00 H new ATOM 1172 N LEU A 81 6.498 5.464 -7.980 1.00 0.00 N ATOM 1173 CA LEU A 81 7.549 5.839 -8.921 1.00 0.00 C ATOM 1174 C LEU A 81 8.200 4.601 -9.530 1.00 0.00 C ATOM 1175 O LEU A 81 8.305 4.478 -10.751 1.00 0.00 O ATOM 1176 CB LEU A 81 8.607 6.693 -8.221 1.00 0.00 C ATOM 1177 CG LEU A 81 9.580 7.438 -9.135 1.00 0.00 C ATOM 1178 CD1 LEU A 81 10.044 8.730 -8.480 1.00 0.00 C ATOM 1179 CD2 LEU A 81 10.771 6.555 -9.479 1.00 0.00 C ATOM 0 H LEU A 81 6.635 5.817 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 81 7.094 6.421 -9.723 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.098 7.424 -7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.184 6.049 -7.557 1.00 0.00 H new ATOM 0 HG LEU A 81 9.060 7.689 -10.060 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.736 9.247 -9.145 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.183 9.369 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.546 8.501 -7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.453 7.102 -10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.291 6.273 -8.564 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.423 5.657 -9.990 1.00 0.00 H new ATOM 1191 N THR A 82 8.635 3.684 -8.672 1.00 0.00 N ATOM 1192 CA THR A 82 9.275 2.456 -9.125 1.00 0.00 C ATOM 1193 C THR A 82 8.300 1.584 -9.908 1.00 0.00 C ATOM 1194 O THR A 82 8.707 0.760 -10.725 1.00 0.00 O ATOM 1195 CB THR A 82 9.834 1.644 -7.941 1.00 0.00 C ATOM 1196 OG1 THR A 82 8.790 1.365 -7.001 1.00 0.00 O ATOM 1197 CG2 THR A 82 10.958 2.400 -7.249 1.00 0.00 C ATOM 0 H THR A 82 8.556 3.769 -7.659 1.00 0.00 H new ATOM 0 HA THR A 82 10.098 2.751 -9.776 1.00 0.00 H new ATOM 0 HB THR A 82 10.233 0.707 -8.328 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.956 1.780 -7.306 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.337 1.807 -6.417 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.764 2.584 -7.959 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.580 3.351 -6.874 1.00 0.00 H new ATOM 1205 N GLY A 83 7.008 1.774 -9.654 1.00 0.00 N ATOM 1206 CA GLY A 83 5.995 0.998 -10.345 1.00 0.00 C ATOM 1207 C GLY A 83 6.299 -0.488 -10.340 1.00 0.00 C ATOM 1208 O GLY A 83 6.082 -1.175 -11.338 1.00 0.00 O ATOM 0 H GLY A 83 6.646 2.451 -8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.027 1.169 -9.874 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.915 1.346 -11.375 1.00 0.00 H new ATOM 1212 N GLU A 84 6.804 -0.983 -9.215 1.00 0.00 N ATOM 1213 CA GLU A 84 7.141 -2.396 -9.087 1.00 0.00 C ATOM 1214 C GLU A 84 6.055 -3.146 -8.321 1.00 0.00 C ATOM 1215 O GLU A 84 5.630 -2.740 -7.239 1.00 0.00 O ATOM 1216 CB GLU A 84 8.487 -2.561 -8.378 1.00 0.00 C ATOM 1217 CG GLU A 84 9.676 -2.568 -9.324 1.00 0.00 C ATOM 1218 CD GLU A 84 10.953 -3.032 -8.652 1.00 0.00 C ATOM 1219 OE1 GLU A 84 10.948 -4.136 -8.067 1.00 0.00 O ATOM 1220 OE2 GLU A 84 11.958 -2.293 -8.711 1.00 0.00 O ATOM 0 H GLU A 84 6.989 -0.427 -8.380 1.00 0.00 H new ATOM 0 HA GLU A 84 7.213 -2.818 -10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.611 -1.752 -7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.478 -3.492 -7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.458 -3.219 -10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.824 -1.565 -9.723 1.00 0.00 H new ATOM 1227 N PRO A 85 5.594 -4.268 -8.894 1.00 0.00 N ATOM 1228 CA PRO A 85 4.553 -5.099 -8.283 1.00 0.00 C ATOM 1229 C PRO A 85 5.046 -5.823 -7.035 1.00 0.00 C ATOM 1230 O PRO A 85 6.224 -6.167 -6.931 1.00 0.00 O ATOM 1231 CB PRO A 85 4.210 -6.105 -9.385 1.00 0.00 C ATOM 1232 CG PRO A 85 5.440 -6.183 -10.222 1.00 0.00 C ATOM 1233 CD PRO A 85 6.055 -4.812 -10.183 1.00 0.00 C ATOM 0 HA PRO A 85 3.702 -4.505 -7.949 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.953 -7.078 -8.967 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.353 -5.774 -9.971 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.130 -6.931 -9.833 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.198 -6.473 -11.244 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.143 -4.858 -10.234 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.722 -4.198 -11.020 1.00 0.00 H new ATOM 1241 N ILE A 86 4.139 -6.052 -6.092 1.00 0.00 N ATOM 1242 CA ILE A 86 4.483 -6.737 -4.852 1.00 0.00 C ATOM 1243 C ILE A 86 4.147 -8.222 -4.933 1.00 0.00 C ATOM 1244 O ILE A 86 3.006 -8.624 -4.705 1.00 0.00 O ATOM 1245 CB ILE A 86 3.749 -6.121 -3.646 1.00 0.00 C ATOM 1246 CG1 ILE A 86 4.270 -4.709 -3.372 1.00 0.00 C ATOM 1247 CG2 ILE A 86 3.918 -7.002 -2.417 1.00 0.00 C ATOM 1248 CD1 ILE A 86 3.259 -3.813 -2.691 1.00 0.00 C ATOM 0 H ILE A 86 3.160 -5.773 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 86 5.557 -6.617 -4.713 1.00 0.00 H new ATOM 0 HB ILE A 86 2.686 -6.057 -3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.163 -4.774 -2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.571 -4.252 -4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.394 -6.554 -1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.504 -7.990 -2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.978 -7.094 -2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.697 -2.828 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.375 -3.717 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.976 -4.247 -1.732 1.00 0.00 H new ATOM 1260 N ARG A 87 5.149 -9.033 -5.257 1.00 0.00 N ATOM 1261 CA ARG A 87 4.960 -10.475 -5.367 1.00 0.00 C ATOM 1262 C ARG A 87 4.872 -11.119 -3.987 1.00 0.00 C ATOM 1263 O ARG A 87 5.669 -10.817 -3.098 1.00 0.00 O ATOM 1264 CB ARG A 87 6.107 -11.102 -6.162 1.00 0.00 C ATOM 1265 CG ARG A 87 5.952 -12.598 -6.377 1.00 0.00 C ATOM 1266 CD ARG A 87 6.933 -13.116 -7.417 1.00 0.00 C ATOM 1267 NE ARG A 87 6.765 -14.546 -7.664 1.00 0.00 N ATOM 1268 CZ ARG A 87 7.532 -15.243 -8.495 1.00 0.00 C ATOM 1269 NH1 ARG A 87 8.515 -14.645 -9.155 1.00 0.00 N ATOM 1270 NH2 ARG A 87 7.316 -16.541 -8.668 1.00 0.00 N ATOM 0 H ARG A 87 6.100 -8.716 -5.448 1.00 0.00 H new ATOM 0 HA ARG A 87 4.022 -10.654 -5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.177 -10.609 -7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.045 -10.914 -5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.111 -13.121 -5.434 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.933 -12.817 -6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.795 -12.569 -8.349 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.952 -12.923 -7.082 1.00 0.00 H new ATOM 0 HE ARG A 87 6.018 -15.036 -7.172 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.684 -13.647 -9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.102 -15.183 -9.792 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.561 -17.004 -8.163 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.905 -17.075 -9.306 1.00 0.00 H new ATOM 1284 N HIS A 88 3.898 -12.006 -3.814 1.00 0.00 N ATOM 1285 CA HIS A 88 3.705 -12.693 -2.542 1.00 0.00 C ATOM 1286 C HIS A 88 2.991 -14.025 -2.746 1.00 0.00 C ATOM 1287 O HIS A 88 2.031 -14.115 -3.512 1.00 0.00 O ATOM 1288 CB HIS A 88 2.905 -11.814 -1.580 1.00 0.00 C ATOM 1289 CG HIS A 88 2.828 -12.365 -0.189 1.00 0.00 C ATOM 1290 ND1 HIS A 88 3.830 -12.198 0.744 1.00 0.00 N ATOM 1291 CD2 HIS A 88 1.859 -13.082 0.426 1.00 0.00 C ATOM 1292 CE1 HIS A 88 3.481 -12.791 1.872 1.00 0.00 C ATOM 1293 NE2 HIS A 88 2.289 -13.334 1.706 1.00 0.00 N ATOM 0 H HIS A 88 3.229 -12.266 -4.539 1.00 0.00 H new ATOM 0 HA HIS A 88 4.687 -12.890 -2.111 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.357 -10.823 -1.545 1.00 0.00 H new ATOM 0 HB3 HIS A 88 1.895 -11.690 -1.969 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.922 -13.397 -0.009 1.00 0.00 H new ATOM 0 HE1 HIS A 88 4.071 -12.826 2.776 1.00 0.00 H new ATOM 0 HE2 HIS A 88 1.772 -13.856 2.413 1.00 0.00 H new ATOM 1302 N ARG A 89 3.466 -15.058 -2.057 1.00 0.00 N ATOM 1303 CA ARG A 89 2.873 -16.385 -2.164 1.00 0.00 C ATOM 1304 C ARG A 89 2.303 -16.837 -0.823 1.00 0.00 C ATOM 1305 O ARG A 89 2.833 -16.496 0.235 1.00 0.00 O ATOM 1306 CB ARG A 89 3.915 -17.394 -2.653 1.00 0.00 C ATOM 1307 CG ARG A 89 3.319 -18.722 -3.089 1.00 0.00 C ATOM 1308 CD ARG A 89 4.213 -19.430 -4.094 1.00 0.00 C ATOM 1309 NE ARG A 89 5.505 -19.793 -3.518 1.00 0.00 N ATOM 1310 CZ ARG A 89 6.460 -20.425 -4.192 1.00 0.00 C ATOM 1311 NH1 ARG A 89 6.268 -20.761 -5.460 1.00 0.00 N ATOM 1312 NH2 ARG A 89 7.609 -20.721 -3.598 1.00 0.00 N ATOM 0 H ARG A 89 4.260 -15.001 -1.419 1.00 0.00 H new ATOM 0 HA ARG A 89 2.058 -16.334 -2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.464 -16.960 -3.489 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.637 -17.573 -1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.173 -19.360 -2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.336 -18.554 -3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.712 -20.328 -4.455 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.370 -18.784 -4.958 1.00 0.00 H new ATOM 0 HE ARG A 89 5.684 -19.548 -2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.386 -20.534 -5.920 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.002 -21.246 -5.976 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.760 -20.463 -2.623 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.341 -21.206 -4.117 1.00 0.00 H new ATOM 1326 N TYR A 90 1.220 -17.604 -0.875 1.00 0.00 N ATOM 1327 CA TYR A 90 0.575 -18.099 0.336 1.00 0.00 C ATOM 1328 C TYR A 90 0.889 -19.576 0.555 1.00 0.00 C ATOM 1329 O TYR A 90 1.416 -20.247 -0.331 1.00 0.00 O ATOM 1330 CB TYR A 90 -0.938 -17.895 0.253 1.00 0.00 C ATOM 1331 CG TYR A 90 -1.359 -16.445 0.333 1.00 0.00 C ATOM 1332 CD1 TYR A 90 -0.836 -15.601 1.305 1.00 0.00 C ATOM 1333 CD2 TYR A 90 -2.279 -15.918 -0.565 1.00 0.00 C ATOM 1334 CE1 TYR A 90 -1.219 -14.276 1.382 1.00 0.00 C ATOM 1335 CE2 TYR A 90 -2.666 -14.594 -0.497 1.00 0.00 C ATOM 1336 CZ TYR A 90 -2.134 -13.777 0.478 1.00 0.00 C ATOM 1337 OH TYR A 90 -2.516 -12.457 0.551 1.00 0.00 O ATOM 0 H TYR A 90 0.770 -17.897 -1.742 1.00 0.00 H new ATOM 0 HA TYR A 90 0.965 -17.533 1.182 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.303 -18.319 -0.683 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.416 -18.448 1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.118 -15.988 2.013 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.699 -16.555 -1.330 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.805 -13.634 2.145 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.382 -14.201 -1.204 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.165 -12.265 -0.158 1.00 0.00 H new ATOM 1347 N GLU A 91 0.561 -20.074 1.743 1.00 0.00 N ATOM 1348 CA GLU A 91 0.808 -21.471 2.079 1.00 0.00 C ATOM 1349 C GLU A 91 -0.500 -22.254 2.147 1.00 0.00 C ATOM 1350 O GLU A 91 -0.553 -23.428 1.779 1.00 0.00 O ATOM 1351 CB GLU A 91 1.546 -21.574 3.416 1.00 0.00 C ATOM 1352 CG GLU A 91 3.026 -21.240 3.321 1.00 0.00 C ATOM 1353 CD GLU A 91 3.833 -21.844 4.454 1.00 0.00 C ATOM 1354 OE1 GLU A 91 3.412 -21.706 5.621 1.00 0.00 O ATOM 1355 OE2 GLU A 91 4.886 -22.454 4.173 1.00 0.00 O ATOM 0 H GLU A 91 0.124 -19.531 2.488 1.00 0.00 H new ATOM 0 HA GLU A 91 1.429 -21.902 1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 91 1.076 -20.902 4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 91 1.435 -22.586 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.416 -21.601 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.152 -20.157 3.327 1.00 0.00 H new ATOM 1362 N SER A 92 -1.553 -21.596 2.620 1.00 0.00 N ATOM 1363 CA SER A 92 -2.861 -22.230 2.740 1.00 0.00 C ATOM 1364 C SER A 92 -3.965 -21.294 2.260 1.00 0.00 C ATOM 1365 O SER A 92 -3.808 -20.073 2.224 1.00 0.00 O ATOM 1366 CB SER A 92 -3.120 -22.642 4.190 1.00 0.00 C ATOM 1367 OG SER A 92 -2.631 -23.948 4.445 1.00 0.00 O ATOM 0 H SER A 92 -1.526 -20.624 2.927 1.00 0.00 H new ATOM 0 HA SER A 92 -2.865 -23.120 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.640 -21.933 4.864 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.190 -22.604 4.396 1.00 0.00 H new ATOM 0 HG SER A 92 -2.807 -24.187 5.379 1.00 0.00 H new ATOM 1373 N PRO A 93 -5.112 -21.877 1.882 1.00 0.00 N ATOM 1374 CA PRO A 93 -6.267 -21.115 1.397 1.00 0.00 C ATOM 1375 C PRO A 93 -6.931 -20.303 2.504 1.00 0.00 C ATOM 1376 O PRO A 93 -6.597 -20.449 3.680 1.00 0.00 O ATOM 1377 CB PRO A 93 -7.218 -22.199 0.885 1.00 0.00 C ATOM 1378 CG PRO A 93 -6.851 -23.420 1.655 1.00 0.00 C ATOM 1379 CD PRO A 93 -5.370 -23.327 1.898 1.00 0.00 C ATOM 0 HA PRO A 93 -5.984 -20.385 0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.259 -21.923 1.053 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.099 -22.356 -0.187 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.399 -23.467 2.596 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.099 -24.323 1.097 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.090 -23.774 2.852 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.803 -23.845 1.125 1.00 0.00 H new ATOM 1387 N GLY A 94 -7.874 -19.448 2.121 1.00 0.00 N ATOM 1388 CA GLY A 94 -8.570 -18.626 3.093 1.00 0.00 C ATOM 1389 C GLY A 94 -8.418 -17.144 2.814 1.00 0.00 C ATOM 1390 O GLY A 94 -7.310 -16.659 2.585 1.00 0.00 O ATOM 0 H GLY A 94 -8.168 -19.310 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.629 -18.886 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.188 -18.846 4.090 1.00 0.00 H new ATOM 1394 N ILE A 95 -9.534 -16.423 2.832 1.00 0.00 N ATOM 1395 CA ILE A 95 -9.520 -14.987 2.579 1.00 0.00 C ATOM 1396 C ILE A 95 -8.506 -14.281 3.472 1.00 0.00 C ATOM 1397 O ILE A 95 -8.455 -14.519 4.679 1.00 0.00 O ATOM 1398 CB ILE A 95 -10.910 -14.362 2.804 1.00 0.00 C ATOM 1399 CG1 ILE A 95 -11.930 -14.972 1.841 1.00 0.00 C ATOM 1400 CG2 ILE A 95 -10.845 -12.852 2.631 1.00 0.00 C ATOM 1401 CD1 ILE A 95 -13.318 -14.386 1.981 1.00 0.00 C ATOM 0 H ILE A 95 -10.459 -16.809 3.019 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.236 -14.853 1.535 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.229 -14.578 3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.584 -14.826 0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.980 -16.048 2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.834 -12.424 2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -10.146 -12.433 3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.508 -12.616 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -13.989 -14.865 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -13.684 -14.555 2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.282 -13.315 1.782 1.00 0.00 H new ATOM 1413 N TYR A 96 -7.702 -13.411 2.872 1.00 0.00 N ATOM 1414 CA TYR A 96 -6.689 -12.669 3.613 1.00 0.00 C ATOM 1415 C TYR A 96 -7.055 -11.191 3.707 1.00 0.00 C ATOM 1416 O TYR A 96 -7.857 -10.688 2.921 1.00 0.00 O ATOM 1417 CB TYR A 96 -5.322 -12.826 2.944 1.00 0.00 C ATOM 1418 CG TYR A 96 -4.741 -14.216 3.071 1.00 0.00 C ATOM 1419 CD1 TYR A 96 -3.953 -14.564 4.161 1.00 0.00 C ATOM 1420 CD2 TYR A 96 -4.980 -15.182 2.101 1.00 0.00 C ATOM 1421 CE1 TYR A 96 -3.420 -15.833 4.281 1.00 0.00 C ATOM 1422 CE2 TYR A 96 -4.453 -16.453 2.213 1.00 0.00 C ATOM 1423 CZ TYR A 96 -3.673 -16.774 3.305 1.00 0.00 C ATOM 1424 OH TYR A 96 -3.144 -18.039 3.420 1.00 0.00 O ATOM 0 H TYR A 96 -7.732 -13.202 1.874 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.642 -13.077 4.623 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.413 -12.575 1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.628 -12.110 3.383 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.754 -13.830 4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -5.589 -14.934 1.244 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.809 -16.087 5.134 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -4.650 -17.192 1.450 1.00 0.00 H new ATOM 0 HH TYR A 96 -3.295 -18.534 2.588 1.00 0.00 H new ATOM 1434 N ARG A 97 -6.460 -10.502 4.675 1.00 0.00 N ATOM 1435 CA ARG A 97 -6.723 -9.082 4.874 1.00 0.00 C ATOM 1436 C ARG A 97 -5.487 -8.249 4.547 1.00 0.00 C ATOM 1437 O ARG A 97 -4.510 -8.246 5.297 1.00 0.00 O ATOM 1438 CB ARG A 97 -7.160 -8.819 6.316 1.00 0.00 C ATOM 1439 CG ARG A 97 -8.660 -8.939 6.529 1.00 0.00 C ATOM 1440 CD ARG A 97 -9.031 -8.768 7.994 1.00 0.00 C ATOM 1441 NE ARG A 97 -10.373 -9.267 8.281 1.00 0.00 N ATOM 1442 CZ ARG A 97 -11.038 -8.987 9.396 1.00 0.00 C ATOM 1443 NH1 ARG A 97 -10.488 -8.216 10.324 1.00 0.00 N ATOM 1444 NH2 ARG A 97 -12.256 -9.478 9.585 1.00 0.00 N ATOM 0 H ARG A 97 -5.793 -10.904 5.334 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.527 -8.790 4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.651 -9.522 6.975 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.839 -7.819 6.607 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -9.175 -8.186 5.932 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.002 -9.913 6.177 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.307 -9.296 8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.972 -7.713 8.262 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.824 -9.863 7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.552 -7.836 10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.001 -8.003 11.179 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -12.683 -10.071 8.874 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -12.766 -9.262 10.442 1.00 0.00 H new ATOM 1458 N VAL A 98 -5.536 -7.544 3.421 1.00 0.00 N ATOM 1459 CA VAL A 98 -4.421 -6.706 2.994 1.00 0.00 C ATOM 1460 C VAL A 98 -4.745 -5.227 3.172 1.00 0.00 C ATOM 1461 O VAL A 98 -5.848 -4.781 2.858 1.00 0.00 O ATOM 1462 CB VAL A 98 -4.055 -6.967 1.521 1.00 0.00 C ATOM 1463 CG1 VAL A 98 -2.841 -6.143 1.118 1.00 0.00 C ATOM 1464 CG2 VAL A 98 -3.803 -8.450 1.290 1.00 0.00 C ATOM 0 H VAL A 98 -6.336 -7.536 2.788 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.570 -6.966 3.624 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.895 -6.662 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.597 -6.341 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.062 -5.083 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.992 -6.414 1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.546 -8.617 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.981 -8.782 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.702 -9.015 1.537 1.00 0.00 H new ATOM 1474 N SER A 99 -3.775 -4.471 3.677 1.00 0.00 N ATOM 1475 CA SER A 99 -3.958 -3.042 3.899 1.00 0.00 C ATOM 1476 C SER A 99 -2.661 -2.281 3.639 1.00 0.00 C ATOM 1477 O SER A 99 -1.567 -2.820 3.807 1.00 0.00 O ATOM 1478 CB SER A 99 -4.436 -2.784 5.330 1.00 0.00 C ATOM 1479 OG SER A 99 -5.851 -2.792 5.404 1.00 0.00 O ATOM 0 H SER A 99 -2.855 -4.824 3.940 1.00 0.00 H new ATOM 0 HA SER A 99 -4.715 -2.685 3.200 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.030 -3.546 5.995 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.056 -1.823 5.676 1.00 0.00 H new ATOM 0 HG SER A 99 -6.144 -2.195 6.123 1.00 0.00 H new ATOM 1485 N VAL A 100 -2.792 -1.024 3.228 1.00 0.00 N ATOM 1486 CA VAL A 100 -1.632 -0.187 2.945 1.00 0.00 C ATOM 1487 C VAL A 100 -1.788 1.197 3.565 1.00 0.00 C ATOM 1488 O VAL A 100 -2.878 1.770 3.562 1.00 0.00 O ATOM 1489 CB VAL A 100 -1.406 -0.036 1.429 1.00 0.00 C ATOM 1490 CG1 VAL A 100 -2.541 0.753 0.795 1.00 0.00 C ATOM 1491 CG2 VAL A 100 -0.065 0.629 1.155 1.00 0.00 C ATOM 0 H VAL A 100 -3.690 -0.563 3.083 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.768 -0.684 3.386 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.392 -1.029 0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.363 0.849 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.484 0.232 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.591 1.745 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.079 0.728 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.048 1.617 1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.736 0.019 1.574 1.00 0.00 H new ATOM 1501 N ARG A 101 -0.692 1.728 4.096 1.00 0.00 N ATOM 1502 CA ARG A 101 -0.707 3.045 4.721 1.00 0.00 C ATOM 1503 C ARG A 101 0.371 3.943 4.123 1.00 0.00 C ATOM 1504 O ARG A 101 1.467 3.484 3.801 1.00 0.00 O ATOM 1505 CB ARG A 101 -0.501 2.919 6.232 1.00 0.00 C ATOM 1506 CG ARG A 101 -0.827 4.189 6.999 1.00 0.00 C ATOM 1507 CD ARG A 101 -0.421 4.077 8.461 1.00 0.00 C ATOM 1508 NE ARG A 101 -1.244 4.919 9.324 1.00 0.00 N ATOM 1509 CZ ARG A 101 -1.137 6.242 9.379 1.00 0.00 C ATOM 1510 NH1 ARG A 101 -0.246 6.871 8.624 1.00 0.00 N ATOM 1511 NH2 ARG A 101 -1.923 6.939 10.190 1.00 0.00 N ATOM 0 H ARG A 101 0.218 1.267 4.106 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.680 3.498 4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -1.124 2.107 6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.535 2.643 6.427 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.313 5.034 6.541 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.896 4.392 6.932 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.504 3.039 8.782 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.626 4.361 8.569 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.939 4.467 9.917 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.359 6.339 7.999 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.166 7.887 8.668 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.610 6.459 10.772 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.840 7.955 10.232 1.00 0.00 H new ATOM 1525 N ALA A 102 0.052 5.225 3.976 1.00 0.00 N ATOM 1526 CA ALA A 102 0.994 6.187 3.418 1.00 0.00 C ATOM 1527 C ALA A 102 0.902 7.528 4.140 1.00 0.00 C ATOM 1528 O ALA A 102 -0.189 7.994 4.464 1.00 0.00 O ATOM 1529 CB ALA A 102 0.742 6.370 1.928 1.00 0.00 C ATOM 0 H ALA A 102 -0.851 5.621 4.236 1.00 0.00 H new ATOM 0 HA ALA A 102 2.001 5.795 3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.453 7.091 1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.866 5.415 1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.273 6.735 1.773 1.00 0.00 H new ATOM 1535 N GLU A 103 2.055 8.141 4.389 1.00 0.00 N ATOM 1536 CA GLU A 103 2.103 9.427 5.074 1.00 0.00 C ATOM 1537 C GLU A 103 3.200 10.313 4.491 1.00 0.00 C ATOM 1538 O GLU A 103 4.388 10.037 4.654 1.00 0.00 O ATOM 1539 CB GLU A 103 2.339 9.223 6.572 1.00 0.00 C ATOM 1540 CG GLU A 103 2.227 10.502 7.385 1.00 0.00 C ATOM 1541 CD GLU A 103 3.102 10.484 8.623 1.00 0.00 C ATOM 1542 OE1 GLU A 103 4.330 10.659 8.485 1.00 0.00 O ATOM 1543 OE2 GLU A 103 2.557 10.296 9.732 1.00 0.00 O ATOM 0 H GLU A 103 2.967 7.768 4.127 1.00 0.00 H new ATOM 0 HA GLU A 103 1.144 9.923 4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.618 8.498 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.330 8.794 6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.505 11.351 6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.188 10.651 7.681 1.00 0.00 H new ATOM 1550 N ASN A 104 2.791 11.380 3.811 1.00 0.00 N ATOM 1551 CA ASN A 104 3.739 12.307 3.202 1.00 0.00 C ATOM 1552 C ASN A 104 3.732 13.648 3.931 1.00 0.00 C ATOM 1553 O ASN A 104 2.794 13.965 4.663 1.00 0.00 O ATOM 1554 CB ASN A 104 3.402 12.515 1.724 1.00 0.00 C ATOM 1555 CG ASN A 104 1.979 12.995 1.518 1.00 0.00 C ATOM 1556 OD1 ASN A 104 1.088 12.691 2.311 1.00 0.00 O ATOM 1557 ND2 ASN A 104 1.758 13.750 0.447 1.00 0.00 N ATOM 0 H ASN A 104 1.811 11.624 3.668 1.00 0.00 H new ATOM 0 HA ASN A 104 4.736 11.875 3.283 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.093 13.241 1.295 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.548 11.579 1.185 1.00 0.00 H new ATOM 0 HD21 ASN A 104 0.820 14.102 0.256 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.526 13.978 -0.184 1.00 0.00 H new ATOM 1564 N THR A 105 4.785 14.432 3.724 1.00 0.00 N ATOM 1565 CA THR A 105 4.902 15.738 4.361 1.00 0.00 C ATOM 1566 C THR A 105 3.562 16.466 4.372 1.00 0.00 C ATOM 1567 O THR A 105 3.259 17.213 5.301 1.00 0.00 O ATOM 1568 CB THR A 105 5.946 16.619 3.649 1.00 0.00 C ATOM 1569 OG1 THR A 105 5.910 17.948 4.180 1.00 0.00 O ATOM 1570 CG2 THR A 105 5.689 16.659 2.150 1.00 0.00 C ATOM 0 H THR A 105 5.569 14.185 3.120 1.00 0.00 H new ATOM 0 HA THR A 105 5.225 15.562 5.387 1.00 0.00 H new ATOM 0 HB THR A 105 6.932 16.186 3.821 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.578 18.501 3.723 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.439 17.287 1.669 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.747 15.649 1.744 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.697 17.069 1.962 1.00 0.00 H new ATOM 1578 N ALA A 106 2.764 16.242 3.333 1.00 0.00 N ATOM 1579 CA ALA A 106 1.455 16.875 3.225 1.00 0.00 C ATOM 1580 C ALA A 106 0.451 16.223 4.170 1.00 0.00 C ATOM 1581 O ALA A 106 0.079 16.800 5.191 1.00 0.00 O ATOM 1582 CB ALA A 106 0.954 16.809 1.790 1.00 0.00 C ATOM 0 H ALA A 106 3.001 15.627 2.554 1.00 0.00 H new ATOM 0 HA ALA A 106 1.559 17.921 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.024 17.285 1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.655 17.327 1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.872 15.767 1.481 1.00 0.00 H new ATOM 1588 N GLY A 107 0.014 15.017 3.821 1.00 0.00 N ATOM 1589 CA GLY A 107 -0.944 14.307 4.647 1.00 0.00 C ATOM 1590 C GLY A 107 -0.672 12.817 4.702 1.00 0.00 C ATOM 1591 O GLY A 107 0.482 12.388 4.670 1.00 0.00 O ATOM 0 H GLY A 107 0.307 14.519 2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.920 14.715 5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.949 14.475 4.259 1.00 0.00 H new ATOM 1595 N HIS A 108 -1.737 12.025 4.786 1.00 0.00 N ATOM 1596 CA HIS A 108 -1.607 10.574 4.846 1.00 0.00 C ATOM 1597 C HIS A 108 -2.891 9.894 4.381 1.00 0.00 C ATOM 1598 O HIS A 108 -3.978 10.462 4.484 1.00 0.00 O ATOM 1599 CB HIS A 108 -1.267 10.129 6.269 1.00 0.00 C ATOM 1600 CG HIS A 108 -2.472 9.866 7.118 1.00 0.00 C ATOM 1601 ND1 HIS A 108 -3.416 10.829 7.405 1.00 0.00 N ATOM 1602 CD2 HIS A 108 -2.887 8.738 7.741 1.00 0.00 C ATOM 1603 CE1 HIS A 108 -4.357 10.306 8.170 1.00 0.00 C ATOM 1604 NE2 HIS A 108 -4.060 9.038 8.389 1.00 0.00 N ATOM 0 H HIS A 108 -2.699 12.364 4.814 1.00 0.00 H new ATOM 0 HA HIS A 108 -0.798 10.279 4.178 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -0.661 9.224 6.223 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -0.658 10.897 6.745 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -2.388 7.780 7.730 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -5.223 10.827 8.552 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -4.612 8.388 8.948 1.00 0.00 H new ATOM 1613 N ASP A 109 -2.757 8.675 3.868 1.00 0.00 N ATOM 1614 CA ASP A 109 -3.906 7.918 3.387 1.00 0.00 C ATOM 1615 C ASP A 109 -3.727 6.427 3.659 1.00 0.00 C ATOM 1616 O ASP A 109 -2.650 5.985 4.057 1.00 0.00 O ATOM 1617 CB ASP A 109 -4.110 8.155 1.890 1.00 0.00 C ATOM 1618 CG ASP A 109 -5.565 8.037 1.478 1.00 0.00 C ATOM 1619 OD1 ASP A 109 -6.434 8.003 2.373 1.00 0.00 O ATOM 1620 OD2 ASP A 109 -5.833 7.979 0.260 1.00 0.00 O ATOM 0 H ASP A 109 -1.864 8.191 3.775 1.00 0.00 H new ATOM 0 HA ASP A 109 -4.789 8.264 3.925 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.741 9.147 1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.516 7.435 1.327 1.00 0.00 H new ATOM 1625 N GLU A 110 -4.790 5.659 3.441 1.00 0.00 N ATOM 1626 CA GLU A 110 -4.749 4.219 3.665 1.00 0.00 C ATOM 1627 C GLU A 110 -5.755 3.501 2.770 1.00 0.00 C ATOM 1628 O GLU A 110 -6.735 4.094 2.320 1.00 0.00 O ATOM 1629 CB GLU A 110 -5.038 3.900 5.134 1.00 0.00 C ATOM 1630 CG GLU A 110 -5.351 2.435 5.388 1.00 0.00 C ATOM 1631 CD GLU A 110 -5.687 2.154 6.840 1.00 0.00 C ATOM 1632 OE1 GLU A 110 -6.667 2.741 7.346 1.00 0.00 O ATOM 1633 OE2 GLU A 110 -4.971 1.349 7.470 1.00 0.00 O ATOM 0 H GLU A 110 -5.689 6.010 3.110 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.749 3.866 3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -4.176 4.189 5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -5.879 4.506 5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -6.189 2.132 4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.495 1.828 5.093 1.00 0.00 H new ATOM 1640 N ALA A 111 -5.505 2.220 2.517 1.00 0.00 N ATOM 1641 CA ALA A 111 -6.388 1.420 1.678 1.00 0.00 C ATOM 1642 C ALA A 111 -6.439 -0.027 2.157 1.00 0.00 C ATOM 1643 O ALA A 111 -5.628 -0.446 2.983 1.00 0.00 O ATOM 1644 CB ALA A 111 -5.937 1.483 0.227 1.00 0.00 C ATOM 0 H ALA A 111 -4.698 1.714 2.882 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.393 1.835 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.606 0.881 -0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.960 2.517 -0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.921 1.096 0.145 1.00 0.00 H new ATOM 1650 N VAL A 112 -7.396 -0.785 1.633 1.00 0.00 N ATOM 1651 CA VAL A 112 -7.552 -2.186 2.007 1.00 0.00 C ATOM 1652 C VAL A 112 -7.961 -3.033 0.807 1.00 0.00 C ATOM 1653 O VAL A 112 -8.545 -2.528 -0.153 1.00 0.00 O ATOM 1654 CB VAL A 112 -8.600 -2.356 3.123 1.00 0.00 C ATOM 1655 CG1 VAL A 112 -8.538 -3.760 3.704 1.00 0.00 C ATOM 1656 CG2 VAL A 112 -8.396 -1.311 4.209 1.00 0.00 C ATOM 0 H VAL A 112 -8.075 -0.453 0.948 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.583 -2.525 2.374 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.591 -2.210 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.285 -3.861 4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.738 -4.488 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.546 -3.938 4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -9.145 -1.446 4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -7.400 -1.422 4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -8.496 -0.315 3.779 1.00 0.00 H new ATOM 1666 N LEU A 113 -7.653 -4.323 0.868 1.00 0.00 N ATOM 1667 CA LEU A 113 -7.989 -5.242 -0.214 1.00 0.00 C ATOM 1668 C LEU A 113 -8.179 -6.660 0.316 1.00 0.00 C ATOM 1669 O LEU A 113 -7.332 -7.183 1.040 1.00 0.00 O ATOM 1670 CB LEU A 113 -6.894 -5.227 -1.281 1.00 0.00 C ATOM 1671 CG LEU A 113 -7.340 -5.558 -2.706 1.00 0.00 C ATOM 1672 CD1 LEU A 113 -6.441 -4.869 -3.721 1.00 0.00 C ATOM 1673 CD2 LEU A 113 -7.343 -7.064 -2.928 1.00 0.00 C ATOM 0 H LEU A 113 -7.171 -4.757 1.655 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.927 -4.912 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.433 -4.239 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.121 -5.938 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 113 -8.356 -5.189 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.774 -5.116 -4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.490 -3.790 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.413 -5.206 -3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -7.663 -7.281 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.338 -7.457 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -8.030 -7.534 -2.224 1.00 0.00 H new ATOM 1685 N PHE A 114 -9.296 -7.279 -0.053 1.00 0.00 N ATOM 1686 CA PHE A 114 -9.597 -8.637 0.384 1.00 0.00 C ATOM 1687 C PHE A 114 -9.311 -9.642 -0.728 1.00 0.00 C ATOM 1688 O PHE A 114 -9.899 -9.574 -1.808 1.00 0.00 O ATOM 1689 CB PHE A 114 -11.061 -8.744 0.818 1.00 0.00 C ATOM 1690 CG PHE A 114 -11.276 -8.448 2.275 1.00 0.00 C ATOM 1691 CD1 PHE A 114 -10.899 -7.228 2.812 1.00 0.00 C ATOM 1692 CD2 PHE A 114 -11.856 -9.392 3.108 1.00 0.00 C ATOM 1693 CE1 PHE A 114 -11.096 -6.953 4.152 1.00 0.00 C ATOM 1694 CE2 PHE A 114 -12.057 -9.122 4.449 1.00 0.00 C ATOM 1695 CZ PHE A 114 -11.675 -7.902 4.972 1.00 0.00 C ATOM 0 H PHE A 114 -10.007 -6.862 -0.653 1.00 0.00 H new ATOM 0 HA PHE A 114 -8.955 -8.869 1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -11.660 -8.054 0.223 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -11.423 -9.749 0.602 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -10.446 -6.482 2.176 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -12.154 -10.349 2.705 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -10.798 -5.997 4.557 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -12.512 -9.865 5.087 1.00 0.00 H new ATOM 0 HZ PHE A 114 -11.829 -7.690 6.020 1.00 0.00 H new ATOM 1705 N VAL A 115 -8.403 -10.574 -0.456 1.00 0.00 N ATOM 1706 CA VAL A 115 -8.038 -11.594 -1.432 1.00 0.00 C ATOM 1707 C VAL A 115 -8.749 -12.911 -1.143 1.00 0.00 C ATOM 1708 O VAL A 115 -8.549 -13.517 -0.091 1.00 0.00 O ATOM 1709 CB VAL A 115 -6.517 -11.837 -1.448 1.00 0.00 C ATOM 1710 CG1 VAL A 115 -6.182 -13.070 -2.272 1.00 0.00 C ATOM 1711 CG2 VAL A 115 -5.788 -10.614 -1.983 1.00 0.00 C ATOM 0 H VAL A 115 -7.907 -10.644 0.432 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.349 -11.223 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 115 -6.184 -12.012 -0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.103 -13.226 -2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.674 -13.941 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.528 -12.928 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.715 -10.803 -1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.124 -10.406 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.002 -9.755 -1.347 1.00 0.00 H new ATOM 1721 N GLN A 116 -9.579 -13.347 -2.085 1.00 0.00 N ATOM 1722 CA GLN A 116 -10.321 -14.593 -1.931 1.00 0.00 C ATOM 1723 C GLN A 116 -9.539 -15.767 -2.510 1.00 0.00 C ATOM 1724 O GLN A 116 -9.283 -15.824 -3.713 1.00 0.00 O ATOM 1725 CB GLN A 116 -11.685 -14.487 -2.615 1.00 0.00 C ATOM 1726 CG GLN A 116 -12.293 -15.834 -2.972 1.00 0.00 C ATOM 1727 CD GLN A 116 -13.793 -15.761 -3.180 1.00 0.00 C ATOM 1728 OE1 GLN A 116 -14.340 -14.696 -3.466 1.00 0.00 O ATOM 1729 NE2 GLN A 116 -14.466 -16.896 -3.037 1.00 0.00 N ATOM 0 H GLN A 116 -9.755 -12.857 -2.962 1.00 0.00 H new ATOM 0 HA GLN A 116 -10.469 -14.769 -0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -12.371 -13.951 -1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -11.582 -13.892 -3.523 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -11.822 -16.212 -3.880 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -12.074 -16.549 -2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -13.971 -17.756 -2.799 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -15.478 -16.908 -3.165 1.00 0.00 H new ATOM 1738 N VAL A 117 -9.160 -16.704 -1.645 1.00 0.00 N ATOM 1739 CA VAL A 117 -8.407 -17.877 -2.071 1.00 0.00 C ATOM 1740 C VAL A 117 -9.100 -19.163 -1.634 1.00 0.00 C ATOM 1741 O VAL A 117 -9.324 -19.387 -0.444 1.00 0.00 O ATOM 1742 CB VAL A 117 -6.975 -17.861 -1.504 1.00 0.00 C ATOM 1743 CG1 VAL A 117 -6.994 -17.560 -0.013 1.00 0.00 C ATOM 1744 CG2 VAL A 117 -6.278 -19.185 -1.780 1.00 0.00 C ATOM 0 H VAL A 117 -9.362 -16.673 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 117 -8.359 -17.845 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 117 -6.414 -17.070 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.973 -17.553 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.452 -16.585 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.571 -18.326 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.267 -19.156 -1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -6.836 -19.995 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -6.231 -19.354 -2.856 1.00 0.00 H new ATOM 1754 N SER A 118 -9.438 -20.006 -2.605 1.00 0.00 N ATOM 1755 CA SER A 118 -10.110 -21.269 -2.321 1.00 0.00 C ATOM 1756 C SER A 118 -9.125 -22.433 -2.380 1.00 0.00 C ATOM 1757 O SER A 118 -8.333 -22.543 -3.315 1.00 0.00 O ATOM 1758 CB SER A 118 -11.250 -21.499 -3.315 1.00 0.00 C ATOM 1759 OG SER A 118 -12.062 -22.589 -2.915 1.00 0.00 O ATOM 0 H SER A 118 -9.258 -19.837 -3.595 1.00 0.00 H new ATOM 0 HA SER A 118 -10.522 -21.215 -1.313 1.00 0.00 H new ATOM 0 HB2 SER A 118 -11.858 -20.597 -3.391 1.00 0.00 H new ATOM 0 HB3 SER A 118 -10.839 -21.692 -4.306 1.00 0.00 H new ATOM 0 HG SER A 118 -12.784 -22.715 -3.565 1.00 0.00 H new ATOM 1765 N GLY A 119 -9.182 -23.300 -1.374 1.00 0.00 N ATOM 1766 CA GLY A 119 -8.291 -24.444 -1.329 1.00 0.00 C ATOM 1767 C GLY A 119 -8.289 -25.229 -2.627 1.00 0.00 C ATOM 1768 O GLY A 119 -9.056 -24.947 -3.548 1.00 0.00 O ATOM 0 H GLY A 119 -9.830 -23.230 -0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -7.278 -24.104 -1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.589 -25.101 -0.511 1.00 0.00 H new