USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 766 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 106 MET CE :methyl -171:sc= 0 (180deg=-0.0981) USER MOD Set 1.2: A 109 ASN : amide:sc= -2.76! C(o=-2.8!,f=-3.9!) USER MOD Set 2.1: A 84 ASN :FLIP amide:sc= -3.19! C(o=-5.8!,f=-3.3!) USER MOD Set 2.2: A 103 SER OG : rot -53:sc= -0.113 USER MOD Set 3.1: A 24 GLN : amide:sc= -0.389 K(o=0.57,f=-11!) USER MOD Set 3.2: A 26 THR OG1 : rot 78:sc= 0.955 USER MOD Single : A 32 ASN :FLIP amide:sc= -0.769 F(o=-1.8!,f=-0.77) USER MOD Single : A 34 SER OG : rot -150:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.255 K(o=-0.25,f=-1.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.723 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.16! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS :FLIP no HE2:sc= -2.04 F(o=-2.6,f=-2) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -2.14! C(o=-2.1!,f=-4!) USER MOD Single : A 79 GLN : amide:sc= -4.06! C(o=-4.1!,f=-5.9!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -70:sc= 0.716 USER MOD Single : A 93 ASN : amide:sc= -2 K(o=-2,f=-8.6!) USER MOD Single : A 94 HIS : no HD1:sc= -5.15! C(o=-5.1!,f=-5.3!) USER MOD Single : A 97 MET CE :methyl 175:sc= -1.31 (180deg=-1.36) USER MOD Single : A 99 THR OG1 : rot -124:sc= 0.0576 USER MOD Single : A 104 MET CE :methyl 148:sc= -1.26 (180deg=-3.88!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl -177:sc= 0 (180deg=-0.0176) USER MOD Single : A 115 GLN : amide:sc= -5.69! C(o=-5.7!,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 283 N GLU A 23 -1.891 15.846 -5.318 1.00 0.00 N ATOM 284 CA GLU A 23 -1.976 14.909 -6.425 1.00 0.00 C ATOM 285 C GLU A 23 -2.658 13.615 -5.974 1.00 0.00 C ATOM 286 O GLU A 23 -2.711 13.320 -4.781 1.00 0.00 O ATOM 287 CB GLU A 23 -0.591 14.623 -7.009 1.00 0.00 C ATOM 288 CG GLU A 23 0.194 15.920 -7.218 1.00 0.00 C ATOM 289 CD GLU A 23 0.869 15.938 -8.591 1.00 0.00 C ATOM 290 OE1 GLU A 23 1.715 15.047 -8.819 1.00 0.00 O ATOM 291 OE2 GLU A 23 0.522 16.842 -9.381 1.00 0.00 O ATOM 0 HA GLU A 23 -2.580 15.361 -7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.039 13.963 -6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.694 14.099 -7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.477 16.774 -7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.947 16.023 -6.437 1.00 0.00 H new ATOM 298 N GLN A 24 -3.163 12.878 -6.952 1.00 0.00 N ATOM 299 CA GLN A 24 -3.839 11.623 -6.671 1.00 0.00 C ATOM 300 C GLN A 24 -3.427 10.558 -7.690 1.00 0.00 C ATOM 301 O GLN A 24 -3.220 10.864 -8.863 1.00 0.00 O ATOM 302 CB GLN A 24 -5.357 11.810 -6.658 1.00 0.00 C ATOM 303 CG GLN A 24 -6.076 10.461 -6.717 1.00 0.00 C ATOM 304 CD GLN A 24 -6.502 10.129 -8.149 1.00 0.00 C ATOM 305 OE1 GLN A 24 -5.788 9.491 -8.905 1.00 0.00 O ATOM 306 NE2 GLN A 24 -7.703 10.597 -8.478 1.00 0.00 N ATOM 0 H GLN A 24 -3.118 13.126 -7.940 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.538 11.285 -5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.653 12.345 -5.756 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.659 12.424 -7.506 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.419 9.678 -6.338 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.952 10.483 -6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.249 11.124 -7.797 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.078 10.429 -9.412 1.00 0.00 H new ATOM 315 N LEU A 25 -3.319 9.331 -7.204 1.00 0.00 N ATOM 316 CA LEU A 25 -2.935 8.219 -8.057 1.00 0.00 C ATOM 317 C LEU A 25 -4.018 7.139 -7.998 1.00 0.00 C ATOM 318 O LEU A 25 -4.580 6.876 -6.936 1.00 0.00 O ATOM 319 CB LEU A 25 -1.541 7.713 -7.682 1.00 0.00 C ATOM 320 CG LEU A 25 -0.364 8.527 -8.222 1.00 0.00 C ATOM 321 CD1 LEU A 25 0.927 8.188 -7.474 1.00 0.00 C ATOM 322 CD2 LEU A 25 -0.216 8.341 -9.734 1.00 0.00 C ATOM 0 H LEU A 25 -3.491 9.082 -6.230 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.863 8.542 -9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.468 7.683 -6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.441 6.687 -8.037 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.570 9.583 -8.046 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.748 8.781 -7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.804 8.413 -6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.151 7.128 -7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.628 8.930 -10.092 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.043 7.288 -9.956 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.127 8.672 -10.232 1.00 0.00 H new ATOM 334 N THR A 26 -4.277 6.543 -9.153 1.00 0.00 N ATOM 335 CA THR A 26 -5.282 5.498 -9.246 1.00 0.00 C ATOM 336 C THR A 26 -4.679 4.231 -9.854 1.00 0.00 C ATOM 337 O THR A 26 -4.414 4.179 -11.054 1.00 0.00 O ATOM 338 CB THR A 26 -6.466 6.050 -10.043 1.00 0.00 C ATOM 339 OG1 THR A 26 -6.796 7.266 -9.377 1.00 0.00 O ATOM 340 CG2 THR A 26 -7.723 5.191 -9.895 1.00 0.00 C ATOM 0 H THR A 26 -3.808 6.764 -10.032 1.00 0.00 H new ATOM 0 HA THR A 26 -5.643 5.208 -8.259 1.00 0.00 H new ATOM 0 HB THR A 26 -6.194 6.117 -11.097 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.161 7.965 -9.638 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.533 5.627 -10.480 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.519 4.182 -10.254 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.015 5.151 -8.846 1.00 0.00 H new ATOM 348 N LEU A 27 -4.479 3.239 -8.998 1.00 0.00 N ATOM 349 CA LEU A 27 -3.911 1.975 -9.436 1.00 0.00 C ATOM 350 C LEU A 27 -4.964 0.874 -9.299 1.00 0.00 C ATOM 351 O LEU A 27 -5.495 0.649 -8.213 1.00 0.00 O ATOM 352 CB LEU A 27 -2.613 1.681 -8.682 1.00 0.00 C ATOM 353 CG LEU A 27 -1.562 2.794 -8.696 1.00 0.00 C ATOM 354 CD1 LEU A 27 -1.181 3.171 -10.129 1.00 0.00 C ATOM 355 CD2 LEU A 27 -2.038 4.006 -7.892 1.00 0.00 C ATOM 0 H LEU A 27 -4.700 3.285 -8.003 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.636 2.025 -10.490 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.862 1.456 -7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.166 0.781 -9.105 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.660 2.419 -8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.433 3.964 -10.110 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.772 2.298 -10.638 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.066 3.520 -10.661 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.274 4.783 -7.917 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.961 4.391 -8.326 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.219 3.709 -6.859 1.00 0.00 H new ATOM 367 N GLU A 28 -5.235 0.217 -10.417 1.00 0.00 N ATOM 368 CA GLU A 28 -6.215 -0.856 -10.436 1.00 0.00 C ATOM 369 C GLU A 28 -5.571 -2.171 -9.993 1.00 0.00 C ATOM 370 O GLU A 28 -4.416 -2.441 -10.317 1.00 0.00 O ATOM 371 CB GLU A 28 -6.849 -0.995 -11.822 1.00 0.00 C ATOM 372 CG GLU A 28 -7.402 0.346 -12.309 1.00 0.00 C ATOM 373 CD GLU A 28 -8.097 0.193 -13.663 1.00 0.00 C ATOM 374 OE1 GLU A 28 -8.893 -0.763 -13.788 1.00 0.00 O ATOM 375 OE2 GLU A 28 -7.818 1.035 -14.543 1.00 0.00 O ATOM 0 H GLU A 28 -4.793 0.407 -11.316 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.010 -0.608 -9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.107 -1.365 -12.530 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.651 -1.732 -11.787 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.107 0.740 -11.577 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.591 1.069 -12.392 1.00 0.00 H new ATOM 382 N ILE A 29 -6.347 -2.955 -9.259 1.00 0.00 N ATOM 383 CA ILE A 29 -5.867 -4.235 -8.768 1.00 0.00 C ATOM 384 C ILE A 29 -6.906 -5.316 -9.073 1.00 0.00 C ATOM 385 O ILE A 29 -8.024 -5.270 -8.561 1.00 0.00 O ATOM 386 CB ILE A 29 -5.499 -4.137 -7.286 1.00 0.00 C ATOM 387 CG1 ILE A 29 -4.309 -3.198 -7.077 1.00 0.00 C ATOM 388 CG2 ILE A 29 -5.246 -5.524 -6.691 1.00 0.00 C ATOM 389 CD1 ILE A 29 -4.177 -2.799 -5.606 1.00 0.00 C ATOM 0 H ILE A 29 -7.305 -2.728 -8.993 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.949 -4.520 -9.283 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.346 -3.707 -6.752 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.393 -3.687 -7.408 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.434 -2.305 -7.690 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.986 -5.426 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.146 -6.131 -6.788 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.425 -6.004 -7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.324 -2.132 -5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.085 -2.289 -5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.028 -3.692 -4.999 1.00 0.00 H new ATOM 401 N PRO A 30 -6.490 -6.288 -9.929 1.00 0.00 N ATOM 402 CA PRO A 30 -7.373 -7.378 -10.309 1.00 0.00 C ATOM 403 C PRO A 30 -7.513 -8.392 -9.171 1.00 0.00 C ATOM 404 O PRO A 30 -6.516 -8.838 -8.606 1.00 0.00 O ATOM 405 CB PRO A 30 -6.747 -7.973 -11.560 1.00 0.00 C ATOM 406 CG PRO A 30 -5.303 -7.499 -11.569 1.00 0.00 C ATOM 407 CD PRO A 30 -5.174 -6.374 -10.555 1.00 0.00 C ATOM 0 HA PRO A 30 -8.391 -7.045 -10.509 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.801 -9.062 -11.544 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.273 -7.641 -12.455 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.631 -8.319 -11.317 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.022 -7.151 -12.563 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.399 -6.590 -9.820 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.903 -5.435 -11.037 1.00 0.00 H new ATOM 415 N LEU A 31 -8.759 -8.725 -8.869 1.00 0.00 N ATOM 416 CA LEU A 31 -9.043 -9.678 -7.809 1.00 0.00 C ATOM 417 C LEU A 31 -9.657 -10.941 -8.415 1.00 0.00 C ATOM 418 O LEU A 31 -10.747 -11.355 -8.024 1.00 0.00 O ATOM 419 CB LEU A 31 -9.909 -9.031 -6.726 1.00 0.00 C ATOM 420 CG LEU A 31 -9.471 -7.642 -6.257 1.00 0.00 C ATOM 421 CD1 LEU A 31 -10.288 -7.190 -5.045 1.00 0.00 C ATOM 422 CD2 LEU A 31 -7.966 -7.606 -5.980 1.00 0.00 C ATOM 0 H LEU A 31 -9.584 -8.352 -9.340 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.122 -9.980 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.931 -8.961 -7.099 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.930 -9.694 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.667 -6.932 -7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.957 -6.200 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.344 -7.152 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.146 -7.896 -4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.681 -6.608 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.722 -8.330 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.422 -7.854 -6.891 1.00 0.00 H new ATOM 434 N ASN A 32 -8.931 -11.518 -9.362 1.00 0.00 N ATOM 435 CA ASN A 32 -9.392 -12.726 -10.026 1.00 0.00 C ATOM 436 C ASN A 32 -8.949 -13.947 -9.218 1.00 0.00 C ATOM 437 O ASN A 32 -9.783 -14.696 -8.710 1.00 0.00 O ATOM 438 CB ASN A 32 -8.793 -12.845 -11.429 1.00 0.00 C ATOM 439 CG ASN A 32 -9.122 -11.611 -12.272 1.00 0.00 C ATOM 440 OD1 ASN A 32 -8.133 -10.725 -12.342 1.00 0.00 O flip ATOM 441 ND2 ASN A 32 -10.202 -11.473 -12.822 1.00 0.00 N flip ATOM 0 H ASN A 32 -8.028 -11.172 -9.685 1.00 0.00 H new ATOM 0 HA ASN A 32 -10.478 -12.677 -10.100 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.712 -12.964 -11.358 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.180 -13.738 -11.919 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.918 -12.193 -12.727 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.389 -10.638 -13.377 1.00 0.00 H new ATOM 448 N ASP A 33 -7.638 -14.111 -9.123 1.00 0.00 N ATOM 449 CA ASP A 33 -7.074 -15.229 -8.386 1.00 0.00 C ATOM 450 C ASP A 33 -6.934 -14.843 -6.912 1.00 0.00 C ATOM 451 O ASP A 33 -7.159 -15.667 -6.026 1.00 0.00 O ATOM 452 CB ASP A 33 -5.685 -15.593 -8.913 1.00 0.00 C ATOM 453 CG ASP A 33 -5.075 -16.859 -8.308 1.00 0.00 C ATOM 454 OD1 ASP A 33 -5.868 -17.698 -7.829 1.00 0.00 O ATOM 455 OD2 ASP A 33 -3.829 -16.958 -8.337 1.00 0.00 O ATOM 0 H ASP A 33 -6.949 -13.488 -9.545 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.740 -16.083 -8.508 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.744 -15.717 -9.994 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.011 -14.757 -8.725 1.00 0.00 H new ATOM 460 N SER A 34 -6.563 -13.590 -6.694 1.00 0.00 N ATOM 461 CA SER A 34 -6.390 -13.084 -5.343 1.00 0.00 C ATOM 462 C SER A 34 -7.755 -12.841 -4.696 1.00 0.00 C ATOM 463 O SER A 34 -7.975 -13.210 -3.544 1.00 0.00 O ATOM 464 CB SER A 34 -5.563 -11.797 -5.338 1.00 0.00 C ATOM 465 OG SER A 34 -4.347 -11.947 -4.610 1.00 0.00 O ATOM 0 H SER A 34 -6.377 -12.910 -7.431 1.00 0.00 H new ATOM 0 HA SER A 34 -5.849 -13.833 -4.764 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.338 -11.507 -6.364 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.151 -10.990 -4.900 1.00 0.00 H new ATOM 0 HG SER A 34 -4.090 -11.085 -4.221 1.00 0.00 H new ATOM 471 N GLY A 35 -8.637 -12.220 -5.467 1.00 0.00 N ATOM 472 CA GLY A 35 -9.974 -11.923 -4.983 1.00 0.00 C ATOM 473 C GLY A 35 -10.529 -13.084 -4.155 1.00 0.00 C ATOM 474 O GLY A 35 -11.212 -12.867 -3.156 1.00 0.00 O ATOM 0 H GLY A 35 -8.451 -11.915 -6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.952 -11.017 -4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.635 -11.726 -5.827 1.00 0.00 H new ATOM 478 N SER A 36 -10.213 -14.291 -4.601 1.00 0.00 N ATOM 479 CA SER A 36 -10.671 -15.486 -3.914 1.00 0.00 C ATOM 480 C SER A 36 -10.492 -15.322 -2.404 1.00 0.00 C ATOM 481 O SER A 36 -11.429 -15.538 -1.636 1.00 0.00 O ATOM 482 CB SER A 36 -9.922 -16.726 -4.406 1.00 0.00 C ATOM 483 OG SER A 36 -10.811 -17.730 -4.889 1.00 0.00 O ATOM 0 H SER A 36 -9.645 -14.467 -5.430 1.00 0.00 H new ATOM 0 HA SER A 36 -11.729 -15.623 -4.135 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.231 -16.441 -5.200 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.322 -17.134 -3.592 1.00 0.00 H new ATOM 0 HG SER A 36 -10.294 -18.504 -5.195 1.00 0.00 H new ATOM 489 N ALA A 37 -9.281 -14.943 -2.022 1.00 0.00 N ATOM 490 CA ALA A 37 -8.967 -14.748 -0.616 1.00 0.00 C ATOM 491 C ALA A 37 -9.154 -13.272 -0.256 1.00 0.00 C ATOM 492 O ALA A 37 -9.633 -12.951 0.830 1.00 0.00 O ATOM 493 CB ALA A 37 -7.545 -15.240 -0.338 1.00 0.00 C ATOM 0 H ALA A 37 -8.506 -14.766 -2.661 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.642 -15.329 0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.309 -15.094 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.472 -16.300 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.839 -14.677 -0.949 1.00 0.00 H new ATOM 499 N GLY A 38 -8.766 -12.415 -1.189 1.00 0.00 N ATOM 500 CA GLY A 38 -8.885 -10.981 -0.984 1.00 0.00 C ATOM 501 C GLY A 38 -7.607 -10.258 -1.411 1.00 0.00 C ATOM 502 O GLY A 38 -6.637 -10.894 -1.821 1.00 0.00 O ATOM 0 H GLY A 38 -8.369 -12.686 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.731 -10.598 -1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.089 -10.776 0.067 1.00 0.00 H new ATOM 506 N LEU A 39 -7.646 -8.938 -1.300 1.00 0.00 N ATOM 507 CA LEU A 39 -6.502 -8.122 -1.669 1.00 0.00 C ATOM 508 C LEU A 39 -5.218 -8.810 -1.203 1.00 0.00 C ATOM 509 O LEU A 39 -4.447 -9.313 -2.019 1.00 0.00 O ATOM 510 CB LEU A 39 -6.666 -6.697 -1.135 1.00 0.00 C ATOM 511 CG LEU A 39 -7.558 -5.769 -1.962 1.00 0.00 C ATOM 512 CD1 LEU A 39 -7.910 -4.504 -1.177 1.00 0.00 C ATOM 513 CD2 LEU A 39 -6.912 -5.446 -3.311 1.00 0.00 C ATOM 0 H LEU A 39 -8.452 -8.414 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.436 -8.026 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.072 -6.753 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.678 -6.244 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.493 -6.289 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.545 -3.862 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.441 -4.778 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.996 -3.970 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.567 -4.785 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.953 -4.954 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.755 -6.369 -3.870 1.00 0.00 H new ATOM 525 N GLY A 40 -5.027 -8.810 0.108 1.00 0.00 N ATOM 526 CA GLY A 40 -3.849 -9.428 0.693 1.00 0.00 C ATOM 527 C GLY A 40 -2.880 -8.369 1.222 1.00 0.00 C ATOM 528 O GLY A 40 -1.666 -8.502 1.070 1.00 0.00 O ATOM 0 H GLY A 40 -5.668 -8.392 0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.147 -10.091 1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.348 -10.044 -0.054 1.00 0.00 H new ATOM 532 N VAL A 41 -3.451 -7.340 1.831 1.00 0.00 N ATOM 533 CA VAL A 41 -2.653 -6.259 2.383 1.00 0.00 C ATOM 534 C VAL A 41 -3.287 -5.777 3.689 1.00 0.00 C ATOM 535 O VAL A 41 -4.481 -5.972 3.912 1.00 0.00 O ATOM 536 CB VAL A 41 -2.496 -5.144 1.347 1.00 0.00 C ATOM 537 CG1 VAL A 41 -1.415 -5.495 0.323 1.00 0.00 C ATOM 538 CG2 VAL A 41 -3.829 -4.844 0.658 1.00 0.00 C ATOM 0 H VAL A 41 -4.458 -7.232 1.954 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.648 -6.609 2.620 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.180 -4.242 1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.324 -4.686 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.462 -5.634 0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.688 -6.415 -0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.689 -4.048 -0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.188 -5.741 0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.560 -4.529 1.402 1.00 0.00 H new ATOM 548 N SER A 42 -2.460 -5.159 4.518 1.00 0.00 N ATOM 549 CA SER A 42 -2.925 -4.648 5.796 1.00 0.00 C ATOM 550 C SER A 42 -2.856 -3.119 5.806 1.00 0.00 C ATOM 551 O SER A 42 -1.892 -2.535 5.312 1.00 0.00 O ATOM 552 CB SER A 42 -2.103 -5.223 6.952 1.00 0.00 C ATOM 553 OG SER A 42 -2.801 -5.149 8.192 1.00 0.00 O ATOM 0 H SER A 42 -1.470 -5.000 4.330 1.00 0.00 H new ATOM 0 HA SER A 42 -3.961 -4.960 5.931 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.854 -6.262 6.738 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.162 -4.680 7.033 1.00 0.00 H new ATOM 0 HG SER A 42 -2.244 -5.527 8.904 1.00 0.00 H new ATOM 559 N LEU A 43 -3.889 -2.515 6.373 1.00 0.00 N ATOM 560 CA LEU A 43 -3.958 -1.066 6.453 1.00 0.00 C ATOM 561 C LEU A 43 -3.919 -0.638 7.922 1.00 0.00 C ATOM 562 O LEU A 43 -3.910 -1.481 8.817 1.00 0.00 O ATOM 563 CB LEU A 43 -5.179 -0.544 5.693 1.00 0.00 C ATOM 564 CG LEU A 43 -5.502 -1.253 4.376 1.00 0.00 C ATOM 565 CD1 LEU A 43 -6.403 -0.387 3.494 1.00 0.00 C ATOM 566 CD2 LEU A 43 -4.223 -1.674 3.651 1.00 0.00 C ATOM 0 H LEU A 43 -4.686 -3.003 6.782 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.093 -0.617 5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.048 -0.619 6.346 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.027 0.515 5.485 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.055 -2.164 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.617 -0.914 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.336 -0.182 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.898 0.553 3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.482 -2.175 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.621 -0.792 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.654 -2.355 4.283 1.00 0.00 H new ATOM 578 N LYS A 44 -3.897 0.671 8.123 1.00 0.00 N ATOM 579 CA LYS A 44 -3.859 1.221 9.468 1.00 0.00 C ATOM 580 C LYS A 44 -4.788 2.434 9.544 1.00 0.00 C ATOM 581 O LYS A 44 -4.873 3.216 8.598 1.00 0.00 O ATOM 582 CB LYS A 44 -2.417 1.523 9.883 1.00 0.00 C ATOM 583 CG LYS A 44 -2.001 2.926 9.435 1.00 0.00 C ATOM 584 CD LYS A 44 -0.523 3.181 9.737 1.00 0.00 C ATOM 585 CE LYS A 44 -0.094 4.565 9.244 1.00 0.00 C ATOM 586 NZ LYS A 44 1.094 5.035 9.991 1.00 0.00 N ATOM 0 H LYS A 44 -3.905 1.367 7.377 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.227 0.491 10.189 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.321 1.439 10.966 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.746 0.784 9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.182 3.039 8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.614 3.671 9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.349 3.103 10.810 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.087 2.415 9.258 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.132 4.524 8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.914 5.273 9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.372 5.975 9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.867 5.093 11.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.879 4.368 9.850 1.00 0.00 H new ATOM 600 N GLY A 45 -5.461 2.553 10.679 1.00 0.00 N ATOM 601 CA GLY A 45 -6.381 3.657 10.892 1.00 0.00 C ATOM 602 C GLY A 45 -5.755 4.727 11.789 1.00 0.00 C ATOM 603 O GLY A 45 -5.334 4.435 12.907 1.00 0.00 O ATOM 0 H GLY A 45 -5.387 1.903 11.461 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.656 4.096 9.933 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.299 3.287 11.348 1.00 0.00 H new ATOM 607 N ASN A 46 -5.715 5.943 11.265 1.00 0.00 N ATOM 608 CA ASN A 46 -5.148 7.058 12.005 1.00 0.00 C ATOM 609 C ASN A 46 -6.278 7.957 12.510 1.00 0.00 C ATOM 610 O ASN A 46 -7.275 8.155 11.817 1.00 0.00 O ATOM 611 CB ASN A 46 -4.234 7.902 11.115 1.00 0.00 C ATOM 612 CG ASN A 46 -2.772 7.767 11.545 1.00 0.00 C ATOM 613 OD1 ASN A 46 -2.364 6.790 12.151 1.00 0.00 O ATOM 614 ND2 ASN A 46 -2.008 8.799 11.199 1.00 0.00 N ATOM 0 H ASN A 46 -6.066 6.181 10.337 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.569 6.652 12.834 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.342 7.589 10.077 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.536 8.948 11.165 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.017 8.804 11.441 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.413 9.586 10.692 1.00 0.00 H new ATOM 621 N LYS A 47 -6.084 8.479 13.712 1.00 0.00 N ATOM 622 CA LYS A 47 -7.075 9.353 14.317 1.00 0.00 C ATOM 623 C LYS A 47 -6.408 10.668 14.724 1.00 0.00 C ATOM 624 O LYS A 47 -5.227 10.689 15.068 1.00 0.00 O ATOM 625 CB LYS A 47 -7.785 8.640 15.470 1.00 0.00 C ATOM 626 CG LYS A 47 -9.123 9.310 15.788 1.00 0.00 C ATOM 627 CD LYS A 47 -10.295 8.413 15.384 1.00 0.00 C ATOM 628 CE LYS A 47 -11.431 8.503 16.404 1.00 0.00 C ATOM 629 NZ LYS A 47 -12.708 8.062 15.799 1.00 0.00 N ATOM 0 H LYS A 47 -5.255 8.314 14.283 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.855 9.601 13.597 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.951 7.595 15.209 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.149 8.651 16.355 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.179 9.530 16.854 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.191 10.262 15.262 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.661 8.707 14.400 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.956 7.380 15.302 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.199 7.884 17.270 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.526 9.528 16.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.468 8.130 16.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.935 8.670 14.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.619 7.076 15.480 1.00 0.00 H new ATOM 643 N SER A 48 -7.193 11.734 14.672 1.00 0.00 N ATOM 644 CA SER A 48 -6.694 13.050 15.031 1.00 0.00 C ATOM 645 C SER A 48 -7.364 13.531 16.320 1.00 0.00 C ATOM 646 O SER A 48 -8.571 13.370 16.493 1.00 0.00 O ATOM 647 CB SER A 48 -6.930 14.056 13.903 1.00 0.00 C ATOM 648 OG SER A 48 -5.714 14.646 13.450 1.00 0.00 O ATOM 0 H SER A 48 -8.172 11.713 14.386 1.00 0.00 H new ATOM 0 HA SER A 48 -5.619 12.974 15.194 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.423 13.556 13.069 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.605 14.838 14.250 1.00 0.00 H new ATOM 0 HG SER A 48 -5.907 15.281 12.729 1.00 0.00 H new ATOM 654 N ARG A 49 -6.551 14.111 17.191 1.00 0.00 N ATOM 655 CA ARG A 49 -7.051 14.616 18.459 1.00 0.00 C ATOM 656 C ARG A 49 -7.504 16.069 18.309 1.00 0.00 C ATOM 657 O ARG A 49 -8.630 16.412 18.668 1.00 0.00 O ATOM 658 CB ARG A 49 -5.977 14.533 19.546 1.00 0.00 C ATOM 659 CG ARG A 49 -6.279 13.400 20.529 1.00 0.00 C ATOM 660 CD ARG A 49 -7.172 13.889 21.671 1.00 0.00 C ATOM 661 NE ARG A 49 -7.971 12.764 22.206 1.00 0.00 N ATOM 662 CZ ARG A 49 -7.470 11.781 22.966 1.00 0.00 C ATOM 663 NH1 ARG A 49 -6.168 11.779 23.286 1.00 0.00 N ATOM 664 NH2 ARG A 49 -8.270 10.800 23.407 1.00 0.00 N ATOM 0 H ARG A 49 -5.550 14.242 17.044 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.898 13.996 18.753 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.002 14.371 19.087 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.923 15.480 20.083 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.769 12.580 20.005 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.347 13.007 20.934 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.560 14.320 22.463 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.834 14.678 21.314 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.966 12.735 21.982 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.559 12.526 22.951 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.786 11.031 23.865 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.261 10.802 23.164 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.888 10.052 23.986 1.00 0.00 H new ATOM 678 N GLU A 50 -6.605 16.885 17.779 1.00 0.00 N ATOM 679 CA GLU A 50 -6.899 18.294 17.578 1.00 0.00 C ATOM 680 C GLU A 50 -8.327 18.469 17.057 1.00 0.00 C ATOM 681 O GLU A 50 -9.184 19.007 17.756 1.00 0.00 O ATOM 682 CB GLU A 50 -5.886 18.935 16.627 1.00 0.00 C ATOM 683 CG GLU A 50 -4.547 19.169 17.328 1.00 0.00 C ATOM 684 CD GLU A 50 -3.453 19.521 16.318 1.00 0.00 C ATOM 685 OE1 GLU A 50 -3.425 18.859 15.259 1.00 0.00 O ATOM 686 OE2 GLU A 50 -2.669 20.443 16.629 1.00 0.00 O ATOM 0 H GLU A 50 -5.672 16.597 17.482 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.819 18.803 18.539 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.739 18.292 15.760 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.278 19.883 16.258 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.649 19.975 18.055 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.261 18.275 17.882 1.00 0.00 H new ATOM 693 N THR A 51 -8.538 18.005 15.835 1.00 0.00 N ATOM 694 CA THR A 51 -9.848 18.103 15.213 1.00 0.00 C ATOM 695 C THR A 51 -10.845 17.183 15.920 1.00 0.00 C ATOM 696 O THR A 51 -11.967 17.589 16.216 1.00 0.00 O ATOM 697 CB THR A 51 -9.688 17.795 13.723 1.00 0.00 C ATOM 698 OG1 THR A 51 -9.121 16.488 13.697 1.00 0.00 O ATOM 699 CG2 THR A 51 -8.628 18.673 13.054 1.00 0.00 C ATOM 0 H THR A 51 -7.824 17.560 15.258 1.00 0.00 H new ATOM 0 HA THR A 51 -10.257 19.109 15.310 1.00 0.00 H new ATOM 0 HB THR A 51 -10.645 17.933 13.220 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.985 16.209 12.767 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.554 18.414 11.998 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.910 19.721 13.151 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.664 18.510 13.536 1.00 0.00 H new ATOM 707 N GLY A 52 -10.399 15.961 16.169 1.00 0.00 N ATOM 708 CA GLY A 52 -11.238 14.979 16.836 1.00 0.00 C ATOM 709 C GLY A 52 -12.011 14.138 15.819 1.00 0.00 C ATOM 710 O GLY A 52 -13.221 13.958 15.949 1.00 0.00 O ATOM 0 H GLY A 52 -9.467 15.628 15.921 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.621 14.329 17.456 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.937 15.485 17.502 1.00 0.00 H new ATOM 714 N THR A 53 -11.281 13.645 14.830 1.00 0.00 N ATOM 715 CA THR A 53 -11.883 12.826 13.791 1.00 0.00 C ATOM 716 C THR A 53 -10.863 11.826 13.242 1.00 0.00 C ATOM 717 O THR A 53 -9.659 11.997 13.425 1.00 0.00 O ATOM 718 CB THR A 53 -12.452 13.762 12.722 1.00 0.00 C ATOM 719 OG1 THR A 53 -12.990 14.852 13.466 1.00 0.00 O ATOM 720 CG2 THR A 53 -13.665 13.164 12.007 1.00 0.00 C ATOM 0 H THR A 53 -10.278 13.797 14.726 1.00 0.00 H new ATOM 0 HA THR A 53 -12.701 12.224 14.186 1.00 0.00 H new ATOM 0 HB THR A 53 -11.677 13.993 11.991 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.379 15.508 12.850 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.030 13.868 11.259 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.377 12.233 11.519 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.453 12.965 12.733 1.00 0.00 H new ATOM 728 N ASP A 54 -11.384 10.803 12.580 1.00 0.00 N ATOM 729 CA ASP A 54 -10.534 9.774 12.004 1.00 0.00 C ATOM 730 C ASP A 54 -9.952 10.282 10.683 1.00 0.00 C ATOM 731 O ASP A 54 -10.674 10.427 9.697 1.00 0.00 O ATOM 732 CB ASP A 54 -11.331 8.501 11.712 1.00 0.00 C ATOM 733 CG ASP A 54 -12.738 8.732 11.158 1.00 0.00 C ATOM 734 OD1 ASP A 54 -12.825 9.300 10.048 1.00 0.00 O ATOM 735 OD2 ASP A 54 -13.695 8.335 11.857 1.00 0.00 O ATOM 0 H ASP A 54 -12.383 10.665 12.430 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.744 9.548 12.720 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.771 7.895 10.999 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.410 7.921 12.631 1.00 0.00 H new ATOM 740 N LEU A 55 -8.652 10.537 10.705 1.00 0.00 N ATOM 741 CA LEU A 55 -7.965 11.025 9.521 1.00 0.00 C ATOM 742 C LEU A 55 -8.382 10.185 8.312 1.00 0.00 C ATOM 743 O LEU A 55 -8.617 10.721 7.231 1.00 0.00 O ATOM 744 CB LEU A 55 -6.453 11.058 9.755 1.00 0.00 C ATOM 745 CG LEU A 55 -5.940 12.177 10.664 1.00 0.00 C ATOM 746 CD1 LEU A 55 -4.454 11.989 10.978 1.00 0.00 C ATOM 747 CD2 LEU A 55 -6.228 13.552 10.057 1.00 0.00 C ATOM 0 H LEU A 55 -8.056 10.415 11.524 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.254 12.054 9.309 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.150 10.102 10.182 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.957 11.146 8.788 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.479 12.124 11.610 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.114 12.797 11.625 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.307 11.034 11.482 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.882 12.002 10.050 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.853 14.329 10.723 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.733 13.633 9.089 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.303 13.674 9.926 1.00 0.00 H new ATOM 759 N GLY A 56 -8.462 8.882 8.537 1.00 0.00 N ATOM 760 CA GLY A 56 -8.846 7.962 7.479 1.00 0.00 C ATOM 761 C GLY A 56 -8.043 6.663 7.563 1.00 0.00 C ATOM 762 O GLY A 56 -7.414 6.382 8.583 1.00 0.00 O ATOM 0 H GLY A 56 -8.268 8.441 9.436 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.911 7.741 7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.685 8.431 6.508 1.00 0.00 H new ATOM 766 N ILE A 57 -8.090 5.904 6.478 1.00 0.00 N ATOM 767 CA ILE A 57 -7.374 4.641 6.416 1.00 0.00 C ATOM 768 C ILE A 57 -6.056 4.844 5.667 1.00 0.00 C ATOM 769 O ILE A 57 -6.029 5.462 4.605 1.00 0.00 O ATOM 770 CB ILE A 57 -8.263 3.551 5.814 1.00 0.00 C ATOM 771 CG1 ILE A 57 -9.553 3.388 6.619 1.00 0.00 C ATOM 772 CG2 ILE A 57 -7.499 2.232 5.682 1.00 0.00 C ATOM 773 CD1 ILE A 57 -9.248 3.115 8.094 1.00 0.00 C ATOM 0 H ILE A 57 -8.613 6.139 5.635 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.121 4.296 7.418 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.549 3.860 4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.158 4.290 6.530 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.141 2.568 6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.153 1.474 5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.635 2.376 5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.164 1.905 6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.182 3.003 8.644 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.664 2.199 8.181 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.681 3.948 8.508 1.00 0.00 H new ATOM 785 N PHE A 58 -4.993 4.310 6.251 1.00 0.00 N ATOM 786 CA PHE A 58 -3.674 4.424 5.652 1.00 0.00 C ATOM 787 C PHE A 58 -3.035 3.046 5.467 1.00 0.00 C ATOM 788 O PHE A 58 -2.966 2.257 6.408 1.00 0.00 O ATOM 789 CB PHE A 58 -2.815 5.245 6.616 1.00 0.00 C ATOM 790 CG PHE A 58 -3.267 6.699 6.768 1.00 0.00 C ATOM 791 CD1 PHE A 58 -4.491 6.978 7.291 1.00 0.00 C ATOM 792 CD2 PHE A 58 -2.446 7.711 6.381 1.00 0.00 C ATOM 793 CE1 PHE A 58 -4.912 8.327 7.432 1.00 0.00 C ATOM 794 CE2 PHE A 58 -2.866 9.060 6.522 1.00 0.00 C ATOM 795 CZ PHE A 58 -4.090 9.340 7.045 1.00 0.00 C ATOM 0 H PHE A 58 -5.018 3.797 7.132 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.750 4.895 4.672 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.828 4.767 7.595 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.782 5.231 6.268 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.143 6.174 7.599 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.474 7.489 5.966 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.884 8.549 7.846 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.214 9.864 6.214 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.409 10.366 7.153 1.00 0.00 H new ATOM 805 N ILE A 59 -2.584 2.798 4.246 1.00 0.00 N ATOM 806 CA ILE A 59 -1.953 1.529 3.925 1.00 0.00 C ATOM 807 C ILE A 59 -0.830 1.254 4.927 1.00 0.00 C ATOM 808 O ILE A 59 -0.185 2.182 5.412 1.00 0.00 O ATOM 809 CB ILE A 59 -1.492 1.514 2.466 1.00 0.00 C ATOM 810 CG1 ILE A 59 -2.673 1.725 1.515 1.00 0.00 C ATOM 811 CG2 ILE A 59 -0.722 0.230 2.147 1.00 0.00 C ATOM 812 CD1 ILE A 59 -2.221 1.654 0.055 1.00 0.00 C ATOM 0 H ILE A 59 -2.643 3.454 3.467 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.670 0.713 4.018 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.805 2.347 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.434 0.967 1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.133 2.694 1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.406 0.245 1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.155 0.162 2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.366 -0.633 2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.079 1.807 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.478 2.429 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.784 0.676 -0.143 1.00 0.00 H new ATOM 824 N LYS A 60 -0.631 -0.025 5.208 1.00 0.00 N ATOM 825 CA LYS A 60 0.402 -0.434 6.144 1.00 0.00 C ATOM 826 C LYS A 60 1.629 -0.913 5.365 1.00 0.00 C ATOM 827 O LYS A 60 2.731 -0.401 5.558 1.00 0.00 O ATOM 828 CB LYS A 60 -0.145 -1.470 7.127 1.00 0.00 C ATOM 829 CG LYS A 60 0.336 -1.183 8.551 1.00 0.00 C ATOM 830 CD LYS A 60 -0.119 -2.279 9.516 1.00 0.00 C ATOM 831 CE LYS A 60 1.034 -3.226 9.854 1.00 0.00 C ATOM 832 NZ LYS A 60 0.570 -4.308 10.751 1.00 0.00 N ATOM 0 H LYS A 60 -1.168 -0.792 4.804 1.00 0.00 H new ATOM 0 HA LYS A 60 0.721 0.412 6.753 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.235 -1.463 7.099 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.175 -2.467 6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.424 -1.111 8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.051 -0.219 8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.503 -1.827 10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.939 -2.843 9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.441 -3.654 8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.841 -2.670 10.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.365 -4.942 10.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.203 -3.895 11.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.184 -4.849 10.282 1.00 0.00 H new ATOM 846 N SER A 61 1.397 -1.890 4.501 1.00 0.00 N ATOM 847 CA SER A 61 2.470 -2.444 3.692 1.00 0.00 C ATOM 848 C SER A 61 1.901 -3.439 2.678 1.00 0.00 C ATOM 849 O SER A 61 0.858 -4.045 2.917 1.00 0.00 O ATOM 850 CB SER A 61 3.525 -3.123 4.567 1.00 0.00 C ATOM 851 OG SER A 61 3.197 -4.483 4.840 1.00 0.00 O ATOM 0 H SER A 61 0.482 -2.312 4.343 1.00 0.00 H new ATOM 0 HA SER A 61 2.952 -1.626 3.157 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.494 -3.077 4.069 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.623 -2.578 5.506 1.00 0.00 H new ATOM 0 HG SER A 61 3.896 -4.882 5.400 1.00 0.00 H new ATOM 857 N ILE A 62 2.611 -3.575 1.568 1.00 0.00 N ATOM 858 CA ILE A 62 2.190 -4.486 0.517 1.00 0.00 C ATOM 859 C ILE A 62 2.960 -5.801 0.649 1.00 0.00 C ATOM 860 O ILE A 62 4.181 -5.798 0.799 1.00 0.00 O ATOM 861 CB ILE A 62 2.333 -3.824 -0.855 1.00 0.00 C ATOM 862 CG1 ILE A 62 1.736 -2.416 -0.850 1.00 0.00 C ATOM 863 CG2 ILE A 62 1.727 -4.700 -1.952 1.00 0.00 C ATOM 864 CD1 ILE A 62 2.831 -1.355 -0.969 1.00 0.00 C ATOM 0 H ILE A 62 3.475 -3.070 1.373 1.00 0.00 H new ATOM 0 HA ILE A 62 1.132 -4.725 0.621 1.00 0.00 H new ATOM 0 HB ILE A 62 3.396 -3.721 -1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.033 -2.312 -1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.172 -2.260 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.842 -4.206 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.239 -5.662 -1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.668 -4.857 -1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.379 -0.363 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.518 -1.446 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.377 -1.499 -1.901 1.00 0.00 H new ATOM 876 N ILE A 63 2.214 -6.895 0.589 1.00 0.00 N ATOM 877 CA ILE A 63 2.812 -8.215 0.699 1.00 0.00 C ATOM 878 C ILE A 63 3.313 -8.660 -0.676 1.00 0.00 C ATOM 879 O ILE A 63 2.796 -8.220 -1.701 1.00 0.00 O ATOM 880 CB ILE A 63 1.830 -9.195 1.343 1.00 0.00 C ATOM 881 CG1 ILE A 63 1.737 -8.967 2.853 1.00 0.00 C ATOM 882 CG2 ILE A 63 2.197 -10.642 1.004 1.00 0.00 C ATOM 883 CD1 ILE A 63 0.810 -7.792 3.174 1.00 0.00 C ATOM 0 H ILE A 63 1.201 -6.894 0.466 1.00 0.00 H new ATOM 0 HA ILE A 63 3.678 -8.187 1.360 1.00 0.00 H new ATOM 0 HB ILE A 63 0.840 -9.007 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.367 -9.870 3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.730 -8.772 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.483 -11.318 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.170 -10.780 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.199 -10.859 1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.761 -7.651 4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.196 -6.886 2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.189 -8.001 2.790 1.00 0.00 H new ATOM 895 N HIS A 64 4.314 -9.528 -0.653 1.00 0.00 N ATOM 896 CA HIS A 64 4.891 -10.038 -1.885 1.00 0.00 C ATOM 897 C HIS A 64 4.384 -11.459 -2.140 1.00 0.00 C ATOM 898 O HIS A 64 4.046 -12.179 -1.202 1.00 0.00 O ATOM 899 CB HIS A 64 6.418 -9.951 -1.847 1.00 0.00 C ATOM 900 CG HIS A 64 7.086 -10.314 -3.152 1.00 0.00 C ATOM 901 ND1 HIS A 64 7.293 -9.579 -4.282 1.00 0.00 N flip ATOM 902 CD2 HIS A 64 7.629 -11.564 -3.394 1.00 0.00 C flip ATOM 903 CE1 HIS A 64 7.929 -10.338 -5.166 1.00 0.00 C flip ATOM 904 NE2 HIS A 64 8.138 -11.569 -4.617 1.00 0.00 N flip ATOM 0 H HIS A 64 4.740 -9.891 0.200 1.00 0.00 H new ATOM 0 HA HIS A 64 4.571 -9.420 -2.724 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.707 -8.937 -1.572 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.790 -10.612 -1.064 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.007 -8.610 -4.424 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.636 -12.394 -2.703 1.00 0.00 H new ATOM 0 HE1 HIS A 64 8.231 -10.031 -6.157 1.00 0.00 H new ATOM 912 N GLY A 65 4.346 -11.820 -3.414 1.00 0.00 N ATOM 913 CA GLY A 65 3.886 -13.142 -3.804 1.00 0.00 C ATOM 914 C GLY A 65 2.367 -13.163 -3.982 1.00 0.00 C ATOM 915 O GLY A 65 1.756 -14.230 -4.007 1.00 0.00 O ATOM 0 H GLY A 65 4.626 -11.220 -4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.369 -13.439 -4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.177 -13.870 -3.047 1.00 0.00 H new ATOM 919 N GLY A 66 1.800 -11.971 -4.102 1.00 0.00 N ATOM 920 CA GLY A 66 0.364 -11.840 -4.278 1.00 0.00 C ATOM 921 C GLY A 66 0.037 -10.836 -5.385 1.00 0.00 C ATOM 922 O GLY A 66 0.906 -10.474 -6.176 1.00 0.00 O ATOM 0 H GLY A 66 2.309 -11.088 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.066 -12.811 -4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.093 -11.517 -3.343 1.00 0.00 H new ATOM 926 N ALA A 67 -1.220 -10.416 -5.406 1.00 0.00 N ATOM 927 CA ALA A 67 -1.673 -9.461 -6.404 1.00 0.00 C ATOM 928 C ALA A 67 -1.251 -8.052 -5.983 1.00 0.00 C ATOM 929 O ALA A 67 -0.764 -7.275 -6.804 1.00 0.00 O ATOM 930 CB ALA A 67 -3.187 -9.588 -6.581 1.00 0.00 C ATOM 0 H ALA A 67 -1.938 -10.719 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.213 -9.668 -7.370 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.527 -8.872 -7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.432 -10.599 -6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.683 -9.384 -5.632 1.00 0.00 H new ATOM 936 N ALA A 68 -1.454 -7.764 -4.706 1.00 0.00 N ATOM 937 CA ALA A 68 -1.101 -6.462 -4.167 1.00 0.00 C ATOM 938 C ALA A 68 0.323 -6.105 -4.599 1.00 0.00 C ATOM 939 O ALA A 68 0.578 -4.988 -5.047 1.00 0.00 O ATOM 940 CB ALA A 68 -1.262 -6.478 -2.646 1.00 0.00 C ATOM 0 H ALA A 68 -1.859 -8.410 -4.029 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.767 -5.692 -4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.997 -5.501 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.297 -6.707 -2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.607 -7.237 -2.219 1.00 0.00 H new ATOM 946 N PHE A 69 1.213 -7.075 -4.449 1.00 0.00 N ATOM 947 CA PHE A 69 2.605 -6.877 -4.818 1.00 0.00 C ATOM 948 C PHE A 69 2.720 -6.022 -6.082 1.00 0.00 C ATOM 949 O PHE A 69 3.543 -5.110 -6.146 1.00 0.00 O ATOM 950 CB PHE A 69 3.195 -8.260 -5.096 1.00 0.00 C ATOM 951 CG PHE A 69 4.526 -8.229 -5.851 1.00 0.00 C ATOM 952 CD1 PHE A 69 5.386 -7.192 -5.669 1.00 0.00 C ATOM 953 CD2 PHE A 69 4.848 -9.238 -6.704 1.00 0.00 C ATOM 954 CE1 PHE A 69 6.621 -7.163 -6.369 1.00 0.00 C ATOM 955 CE2 PHE A 69 6.083 -9.209 -7.404 1.00 0.00 C ATOM 956 CZ PHE A 69 6.943 -8.172 -7.222 1.00 0.00 C ATOM 0 H PHE A 69 0.998 -8.000 -4.077 1.00 0.00 H new ATOM 0 HA PHE A 69 3.134 -6.364 -4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.339 -8.780 -4.149 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.476 -8.841 -5.673 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.130 -6.390 -4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.164 -10.061 -6.849 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.305 -6.340 -6.224 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.339 -10.011 -8.081 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.882 -8.149 -7.755 1.00 0.00 H new ATOM 966 N LYS A 70 1.884 -6.348 -7.057 1.00 0.00 N ATOM 967 CA LYS A 70 1.882 -5.622 -8.315 1.00 0.00 C ATOM 968 C LYS A 70 1.723 -4.126 -8.036 1.00 0.00 C ATOM 969 O LYS A 70 2.498 -3.312 -8.535 1.00 0.00 O ATOM 970 CB LYS A 70 0.819 -6.188 -9.259 1.00 0.00 C ATOM 971 CG LYS A 70 1.167 -7.616 -9.683 1.00 0.00 C ATOM 972 CD LYS A 70 0.039 -8.231 -10.514 1.00 0.00 C ATOM 973 CE LYS A 70 0.469 -8.419 -11.970 1.00 0.00 C ATOM 974 NZ LYS A 70 1.307 -9.631 -12.111 1.00 0.00 N ATOM 0 H LYS A 70 1.203 -7.106 -7.001 1.00 0.00 H new ATOM 0 HA LYS A 70 2.834 -5.751 -8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.153 -6.178 -8.766 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.736 -5.553 -10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.090 -7.612 -10.262 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.348 -8.228 -8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.248 -9.193 -10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.841 -7.589 -10.471 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.411 -8.502 -12.607 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.025 -7.544 -12.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.590 -9.744 -13.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.156 -9.537 -11.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.764 -10.465 -11.809 1.00 0.00 H new ATOM 988 N ASP A 71 0.713 -3.810 -7.238 1.00 0.00 N ATOM 989 CA ASP A 71 0.443 -2.426 -6.887 1.00 0.00 C ATOM 990 C ASP A 71 1.391 -1.995 -5.766 1.00 0.00 C ATOM 991 O ASP A 71 1.511 -0.806 -5.473 1.00 0.00 O ATOM 992 CB ASP A 71 -0.992 -2.256 -6.383 1.00 0.00 C ATOM 993 CG ASP A 71 -1.445 -0.807 -6.199 1.00 0.00 C ATOM 994 OD1 ASP A 71 -1.321 -0.044 -7.181 1.00 0.00 O ATOM 995 OD2 ASP A 71 -1.906 -0.494 -5.080 1.00 0.00 O ATOM 0 H ASP A 71 0.073 -4.488 -6.825 1.00 0.00 H new ATOM 0 HA ASP A 71 0.587 -1.817 -7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.668 -2.746 -7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.090 -2.775 -5.430 1.00 0.00 H new ATOM 1000 N GLY A 72 2.040 -2.984 -5.170 1.00 0.00 N ATOM 1001 CA GLY A 72 2.974 -2.721 -4.088 1.00 0.00 C ATOM 1002 C GLY A 72 3.857 -1.514 -4.407 1.00 0.00 C ATOM 1003 O GLY A 72 4.362 -0.852 -3.501 1.00 0.00 O ATOM 0 H GLY A 72 1.938 -3.969 -5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.424 -2.540 -3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.598 -3.599 -3.920 1.00 0.00 H new ATOM 1007 N ARG A 73 4.017 -1.262 -5.698 1.00 0.00 N ATOM 1008 CA ARG A 73 4.831 -0.146 -6.148 1.00 0.00 C ATOM 1009 C ARG A 73 4.576 1.083 -5.274 1.00 0.00 C ATOM 1010 O ARG A 73 5.451 1.934 -5.122 1.00 0.00 O ATOM 1011 CB ARG A 73 4.529 0.203 -7.607 1.00 0.00 C ATOM 1012 CG ARG A 73 3.109 0.752 -7.757 1.00 0.00 C ATOM 1013 CD ARG A 73 2.736 0.913 -9.232 1.00 0.00 C ATOM 1014 NE ARG A 73 2.744 -0.406 -9.903 1.00 0.00 N ATOM 1015 CZ ARG A 73 2.219 -0.636 -11.114 1.00 0.00 C ATOM 1016 NH1 ARG A 73 1.640 0.362 -11.794 1.00 0.00 N ATOM 1017 NH2 ARG A 73 2.272 -1.866 -11.645 1.00 0.00 N ATOM 0 H ARG A 73 3.596 -1.812 -6.447 1.00 0.00 H new ATOM 0 HA ARG A 73 5.876 -0.444 -6.066 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.247 0.941 -7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.647 -0.684 -8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.402 0.080 -7.271 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.032 1.715 -7.252 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.749 1.368 -9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.441 1.584 -9.723 1.00 0.00 H new ATOM 0 HE ARG A 73 3.176 -1.189 -9.413 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.599 1.298 -11.390 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.240 0.186 -12.716 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.712 -2.627 -11.127 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.872 -2.041 -12.567 1.00 0.00 H new ATOM 1031 N LEU A 74 3.372 1.138 -4.721 1.00 0.00 N ATOM 1032 CA LEU A 74 2.991 2.249 -3.866 1.00 0.00 C ATOM 1033 C LEU A 74 3.772 2.167 -2.553 1.00 0.00 C ATOM 1034 O LEU A 74 4.505 1.207 -2.321 1.00 0.00 O ATOM 1035 CB LEU A 74 1.473 2.283 -3.677 1.00 0.00 C ATOM 1036 CG LEU A 74 0.669 2.909 -4.819 1.00 0.00 C ATOM 1037 CD1 LEU A 74 -0.809 2.526 -4.723 1.00 0.00 C ATOM 1038 CD2 LEU A 74 0.867 4.426 -4.861 1.00 0.00 C ATOM 0 H LEU A 74 2.648 0.431 -4.849 1.00 0.00 H new ATOM 0 HA LEU A 74 3.252 3.198 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.122 1.262 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.253 2.831 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 74 1.044 2.509 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.358 2.984 -5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.908 1.442 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.216 2.879 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.285 4.846 -5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.534 4.863 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.923 4.651 -5.013 1.00 0.00 H new ATOM 1050 N ARG A 75 3.589 3.188 -1.728 1.00 0.00 N ATOM 1051 CA ARG A 75 4.267 3.244 -0.445 1.00 0.00 C ATOM 1052 C ARG A 75 3.247 3.355 0.690 1.00 0.00 C ATOM 1053 O ARG A 75 2.376 4.223 0.665 1.00 0.00 O ATOM 1054 CB ARG A 75 5.224 4.436 -0.379 1.00 0.00 C ATOM 1055 CG ARG A 75 6.068 4.532 -1.652 1.00 0.00 C ATOM 1056 CD ARG A 75 7.261 3.574 -1.592 1.00 0.00 C ATOM 1057 NE ARG A 75 7.520 3.005 -2.933 1.00 0.00 N ATOM 1058 CZ ARG A 75 8.179 3.647 -3.908 1.00 0.00 C ATOM 1059 NH1 ARG A 75 8.649 4.884 -3.696 1.00 0.00 N ATOM 1060 NH2 ARG A 75 8.367 3.052 -5.094 1.00 0.00 N ATOM 0 H ARG A 75 2.981 3.983 -1.924 1.00 0.00 H new ATOM 0 HA ARG A 75 4.842 2.324 -0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.656 5.356 -0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.877 4.335 0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.452 4.297 -2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.424 5.554 -1.781 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.145 4.103 -1.235 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.060 2.773 -0.881 1.00 0.00 H new ATOM 0 HE ARG A 75 7.175 2.065 -3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.505 5.336 -2.793 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.151 5.373 -4.437 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.009 2.111 -5.255 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.868 3.540 -5.836 1.00 0.00 H new ATOM 1074 N MET A 76 3.389 2.463 1.660 1.00 0.00 N ATOM 1075 CA MET A 76 2.491 2.450 2.802 1.00 0.00 C ATOM 1076 C MET A 76 2.168 3.873 3.262 1.00 0.00 C ATOM 1077 O MET A 76 2.883 4.815 2.925 1.00 0.00 O ATOM 1078 CB MET A 76 3.139 1.676 3.952 1.00 0.00 C ATOM 1079 CG MET A 76 4.523 2.238 4.280 1.00 0.00 C ATOM 1080 SD MET A 76 5.707 0.909 4.412 1.00 0.00 S ATOM 1081 CE MET A 76 6.927 1.462 3.233 1.00 0.00 C ATOM 0 H MET A 76 4.113 1.744 1.678 1.00 0.00 H new ATOM 0 HA MET A 76 1.561 1.965 2.504 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.502 1.729 4.835 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.224 0.623 3.684 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.834 2.937 3.504 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.485 2.797 5.215 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.744 0.742 3.190 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.468 1.550 2.248 1.00 0.00 H new ATOM 0 HE3 MET A 76 7.316 2.433 3.540 1.00 0.00 H new ATOM 1091 N ASN A 77 1.090 3.984 4.024 1.00 0.00 N ATOM 1092 CA ASN A 77 0.663 5.276 4.534 1.00 0.00 C ATOM 1093 C ASN A 77 0.016 6.077 3.402 1.00 0.00 C ATOM 1094 O ASN A 77 0.221 7.285 3.295 1.00 0.00 O ATOM 1095 CB ASN A 77 1.853 6.080 5.061 1.00 0.00 C ATOM 1096 CG ASN A 77 2.867 5.168 5.756 1.00 0.00 C ATOM 1097 OD1 ASN A 77 2.553 4.079 6.206 1.00 0.00 O ATOM 1098 ND2 ASN A 77 4.096 5.673 5.816 1.00 0.00 N ATOM 0 H ASN A 77 0.499 3.200 4.301 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.043 5.102 5.346 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.336 6.605 4.236 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.502 6.839 5.760 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.845 5.141 6.260 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.290 6.592 5.418 1.00 0.00 H new ATOM 1105 N ASP A 78 -0.754 5.372 2.586 1.00 0.00 N ATOM 1106 CA ASP A 78 -1.433 6.002 1.467 1.00 0.00 C ATOM 1107 C ASP A 78 -2.918 6.161 1.801 1.00 0.00 C ATOM 1108 O ASP A 78 -3.714 5.257 1.552 1.00 0.00 O ATOM 1109 CB ASP A 78 -1.322 5.147 0.203 1.00 0.00 C ATOM 1110 CG ASP A 78 -0.107 5.448 -0.676 1.00 0.00 C ATOM 1111 OD1 ASP A 78 0.175 6.652 -0.862 1.00 0.00 O ATOM 1112 OD2 ASP A 78 0.513 4.468 -1.143 1.00 0.00 O ATOM 0 H ASP A 78 -0.923 4.370 2.678 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.964 6.970 1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.290 4.097 0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -2.225 5.285 -0.392 1.00 0.00 H new ATOM 1117 N GLN A 79 -3.246 7.317 2.359 1.00 0.00 N ATOM 1118 CA GLN A 79 -4.621 7.606 2.730 1.00 0.00 C ATOM 1119 C GLN A 79 -5.570 7.210 1.597 1.00 0.00 C ATOM 1120 O GLN A 79 -5.375 7.610 0.450 1.00 0.00 O ATOM 1121 CB GLN A 79 -4.791 9.081 3.098 1.00 0.00 C ATOM 1122 CG GLN A 79 -5.912 9.265 4.122 1.00 0.00 C ATOM 1123 CD GLN A 79 -5.764 10.594 4.865 1.00 0.00 C ATOM 1124 OE1 GLN A 79 -4.705 11.200 4.901 1.00 0.00 O ATOM 1125 NE2 GLN A 79 -6.881 11.012 5.453 1.00 0.00 N ATOM 0 H GLN A 79 -2.583 8.065 2.563 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.872 7.015 3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.856 9.468 3.503 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.014 9.660 2.202 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.878 9.232 3.619 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.896 8.442 4.836 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.733 10.456 5.383 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.886 11.889 5.974 1.00 0.00 H new ATOM 1134 N LEU A 80 -6.577 6.429 1.957 1.00 0.00 N ATOM 1135 CA LEU A 80 -7.557 5.975 0.986 1.00 0.00 C ATOM 1136 C LEU A 80 -8.706 6.983 0.917 1.00 0.00 C ATOM 1137 O LEU A 80 -9.702 6.844 1.626 1.00 0.00 O ATOM 1138 CB LEU A 80 -8.009 4.548 1.306 1.00 0.00 C ATOM 1139 CG LEU A 80 -6.908 3.486 1.334 1.00 0.00 C ATOM 1140 CD1 LEU A 80 -6.143 3.524 2.658 1.00 0.00 C ATOM 1141 CD2 LEU A 80 -7.479 2.097 1.041 1.00 0.00 C ATOM 0 H LEU A 80 -6.736 6.099 2.909 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.113 5.928 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.505 4.554 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.755 4.250 0.569 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.193 3.714 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.366 2.759 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.685 4.505 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.832 3.335 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.676 1.361 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.227 1.845 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.942 2.095 0.054 1.00 0.00 H new ATOM 1153 N ILE A 81 -8.530 7.975 0.057 1.00 0.00 N ATOM 1154 CA ILE A 81 -9.540 9.006 -0.114 1.00 0.00 C ATOM 1155 C ILE A 81 -10.796 8.386 -0.728 1.00 0.00 C ATOM 1156 O ILE A 81 -11.846 9.026 -0.781 1.00 0.00 O ATOM 1157 CB ILE A 81 -8.977 10.180 -0.918 1.00 0.00 C ATOM 1158 CG1 ILE A 81 -8.538 9.729 -2.313 1.00 0.00 C ATOM 1159 CG2 ILE A 81 -7.844 10.872 -0.157 1.00 0.00 C ATOM 1160 CD1 ILE A 81 -8.385 10.926 -3.253 1.00 0.00 C ATOM 0 H ILE A 81 -7.703 8.087 -0.529 1.00 0.00 H new ATOM 0 HA ILE A 81 -9.828 9.421 0.852 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.771 10.914 -1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.592 9.192 -2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.270 9.033 -2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.461 11.703 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.221 11.249 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.041 10.158 0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.072 10.578 -4.237 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.339 11.446 -3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.634 11.608 -2.854 1.00 0.00 H new ATOM 1172 N ALA A 82 -10.649 7.148 -1.176 1.00 0.00 N ATOM 1173 CA ALA A 82 -11.759 6.435 -1.785 1.00 0.00 C ATOM 1174 C ALA A 82 -11.314 5.015 -2.139 1.00 0.00 C ATOM 1175 O ALA A 82 -10.176 4.632 -1.873 1.00 0.00 O ATOM 1176 CB ALA A 82 -12.257 7.212 -3.005 1.00 0.00 C ATOM 0 H ALA A 82 -9.777 6.620 -1.129 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.593 6.355 -1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.090 6.677 -3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.589 8.203 -2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.448 7.310 -3.729 1.00 0.00 H new ATOM 1182 N VAL A 83 -12.236 4.271 -2.733 1.00 0.00 N ATOM 1183 CA VAL A 83 -11.953 2.901 -3.126 1.00 0.00 C ATOM 1184 C VAL A 83 -13.041 2.416 -4.087 1.00 0.00 C ATOM 1185 O VAL A 83 -14.207 2.316 -3.710 1.00 0.00 O ATOM 1186 CB VAL A 83 -11.815 2.018 -1.884 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -12.970 2.258 -0.910 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -11.721 0.541 -2.270 1.00 0.00 C ATOM 0 H VAL A 83 -13.179 4.591 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.002 2.844 -3.656 1.00 0.00 H new ATOM 0 HB VAL A 83 -10.889 2.292 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.848 1.618 -0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.972 3.302 -0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.915 2.025 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.624 -0.065 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.622 0.248 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.850 0.386 -2.907 1.00 0.00 H new ATOM 1198 N ASN A 84 -12.620 2.128 -5.309 1.00 0.00 N ATOM 1199 CA ASN A 84 -13.543 1.656 -6.327 1.00 0.00 C ATOM 1200 C ASN A 84 -14.565 2.753 -6.631 1.00 0.00 C ATOM 1201 O ASN A 84 -15.640 2.476 -7.162 1.00 0.00 O ATOM 1202 CB ASN A 84 -14.306 0.419 -5.847 1.00 0.00 C ATOM 1203 CG ASN A 84 -14.030 -0.782 -6.753 1.00 0.00 C ATOM 1204 OD1 ASN A 84 -13.670 -1.882 -6.099 1.00 0.00 O flip ATOM 1205 ND2 ASN A 84 -14.137 -0.714 -7.967 1.00 0.00 N flip ATOM 0 H ASN A 84 -11.651 2.212 -5.618 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.964 1.401 -7.215 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -14.014 0.182 -4.824 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.375 0.630 -5.833 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.418 0.163 -8.406 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.945 -1.534 -8.543 1.00 0.00 H new ATOM 1212 N GLY A 85 -14.193 3.976 -6.282 1.00 0.00 N ATOM 1213 CA GLY A 85 -15.064 5.117 -6.512 1.00 0.00 C ATOM 1214 C GLY A 85 -15.854 5.466 -5.249 1.00 0.00 C ATOM 1215 O GLY A 85 -16.512 6.504 -5.191 1.00 0.00 O ATOM 0 H GLY A 85 -13.301 4.202 -5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.470 5.976 -6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.753 4.895 -7.327 1.00 0.00 H new ATOM 1219 N GLU A 86 -15.764 4.579 -4.269 1.00 0.00 N ATOM 1220 CA GLU A 86 -16.462 4.780 -3.011 1.00 0.00 C ATOM 1221 C GLU A 86 -15.599 5.599 -2.049 1.00 0.00 C ATOM 1222 O GLU A 86 -14.390 5.390 -1.963 1.00 0.00 O ATOM 1223 CB GLU A 86 -16.862 3.442 -2.385 1.00 0.00 C ATOM 1224 CG GLU A 86 -17.601 3.654 -1.062 1.00 0.00 C ATOM 1225 CD GLU A 86 -18.586 2.515 -0.796 1.00 0.00 C ATOM 1226 OE1 GLU A 86 -18.842 1.751 -1.752 1.00 0.00 O ATOM 1227 OE2 GLU A 86 -19.062 2.434 0.357 1.00 0.00 O ATOM 0 H GLU A 86 -15.218 3.719 -4.321 1.00 0.00 H new ATOM 0 HA GLU A 86 -17.377 5.338 -3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.498 2.889 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.972 2.835 -2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.882 3.716 -0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.136 4.603 -1.088 1.00 0.00 H new ATOM 1234 N THR A 87 -16.253 6.515 -1.350 1.00 0.00 N ATOM 1235 CA THR A 87 -15.561 7.366 -0.398 1.00 0.00 C ATOM 1236 C THR A 87 -15.269 6.597 0.892 1.00 0.00 C ATOM 1237 O THR A 87 -16.025 5.702 1.270 1.00 0.00 O ATOM 1238 CB THR A 87 -16.410 8.619 -0.179 1.00 0.00 C ATOM 1239 OG1 THR A 87 -15.462 9.683 -0.162 1.00 0.00 O ATOM 1240 CG2 THR A 87 -17.043 8.662 1.213 1.00 0.00 C ATOM 0 H THR A 87 -17.256 6.686 -1.424 1.00 0.00 H new ATOM 0 HA THR A 87 -14.589 7.677 -0.781 1.00 0.00 H new ATOM 0 HB THR A 87 -17.194 8.662 -0.935 1.00 0.00 H new ATOM 0 HG1 THR A 87 -15.928 10.534 -0.026 1.00 0.00 H new ATOM 0 HG21 THR A 87 -17.635 9.572 1.316 1.00 0.00 H new ATOM 0 HG22 THR A 87 -17.687 7.793 1.347 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.259 8.652 1.970 1.00 0.00 H new ATOM 1248 N LEU A 88 -14.172 6.973 1.532 1.00 0.00 N ATOM 1249 CA LEU A 88 -13.772 6.329 2.772 1.00 0.00 C ATOM 1250 C LEU A 88 -13.680 7.380 3.881 1.00 0.00 C ATOM 1251 O LEU A 88 -14.144 7.152 4.997 1.00 0.00 O ATOM 1252 CB LEU A 88 -12.480 5.534 2.570 1.00 0.00 C ATOM 1253 CG LEU A 88 -12.540 4.409 1.535 1.00 0.00 C ATOM 1254 CD1 LEU A 88 -11.137 3.900 1.197 1.00 0.00 C ATOM 1255 CD2 LEU A 88 -13.461 3.281 2.005 1.00 0.00 C ATOM 0 H LEU A 88 -13.548 7.715 1.216 1.00 0.00 H new ATOM 0 HA LEU A 88 -14.522 5.602 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -11.692 6.228 2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.188 5.104 3.528 1.00 0.00 H new ATOM 0 HG LEU A 88 -12.967 4.812 0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -11.208 3.101 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -10.542 4.717 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -10.661 3.519 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -13.486 2.494 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.086 2.873 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.467 3.672 2.155 1.00 0.00 H new ATOM 1267 N LEU A 89 -13.078 8.508 3.534 1.00 0.00 N ATOM 1268 CA LEU A 89 -12.920 9.594 4.486 1.00 0.00 C ATOM 1269 C LEU A 89 -14.274 9.906 5.128 1.00 0.00 C ATOM 1270 O LEU A 89 -14.354 10.145 6.332 1.00 0.00 O ATOM 1271 CB LEU A 89 -12.265 10.803 3.816 1.00 0.00 C ATOM 1272 CG LEU A 89 -11.149 10.493 2.815 1.00 0.00 C ATOM 1273 CD1 LEU A 89 -10.251 11.712 2.599 1.00 0.00 C ATOM 1274 CD2 LEU A 89 -10.350 9.263 3.250 1.00 0.00 C ATOM 0 H LEU A 89 -12.694 8.693 2.607 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.246 9.300 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.039 11.372 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.859 11.449 4.594 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.607 10.257 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.467 11.464 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.847 12.539 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.798 12.003 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.563 9.064 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.903 9.447 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.014 8.401 3.311 1.00 0.00 H new ATOM 1286 N GLY A 90 -15.304 9.893 4.295 1.00 0.00 N ATOM 1287 CA GLY A 90 -16.650 10.171 4.766 1.00 0.00 C ATOM 1288 C GLY A 90 -17.023 9.256 5.934 1.00 0.00 C ATOM 1289 O GLY A 90 -17.808 9.637 6.801 1.00 0.00 O ATOM 0 H GLY A 90 -15.234 9.694 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -16.722 11.213 5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -17.360 10.033 3.951 1.00 0.00 H new ATOM 1293 N LYS A 91 -16.441 8.065 5.920 1.00 0.00 N ATOM 1294 CA LYS A 91 -16.702 7.092 6.968 1.00 0.00 C ATOM 1295 C LYS A 91 -15.579 7.153 8.005 1.00 0.00 C ATOM 1296 O LYS A 91 -14.793 8.099 8.020 1.00 0.00 O ATOM 1297 CB LYS A 91 -16.910 5.701 6.367 1.00 0.00 C ATOM 1298 CG LYS A 91 -17.426 5.795 4.930 1.00 0.00 C ATOM 1299 CD LYS A 91 -17.740 4.408 4.367 1.00 0.00 C ATOM 1300 CE LYS A 91 -18.787 4.491 3.255 1.00 0.00 C ATOM 1301 NZ LYS A 91 -19.923 3.587 3.542 1.00 0.00 N ATOM 0 H LYS A 91 -15.790 7.752 5.200 1.00 0.00 H new ATOM 0 HA LYS A 91 -17.630 7.331 7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.970 5.150 6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -17.619 5.140 6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -18.323 6.414 4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.681 6.285 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.828 3.954 3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -18.103 3.761 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -19.145 5.516 3.161 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.334 4.223 2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.624 3.656 2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -19.579 2.608 3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -20.365 3.861 4.443 1.00 0.00 H new ATOM 1315 N SER A 92 -15.539 6.131 8.847 1.00 0.00 N ATOM 1316 CA SER A 92 -14.525 6.056 9.885 1.00 0.00 C ATOM 1317 C SER A 92 -13.532 4.937 9.567 1.00 0.00 C ATOM 1318 O SER A 92 -13.625 4.299 8.519 1.00 0.00 O ATOM 1319 CB SER A 92 -15.159 5.828 11.259 1.00 0.00 C ATOM 1320 OG SER A 92 -16.041 6.887 11.622 1.00 0.00 O ATOM 0 H SER A 92 -16.192 5.348 8.832 1.00 0.00 H new ATOM 0 HA SER A 92 -13.994 7.007 9.913 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.707 4.886 11.254 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.374 5.736 12.010 1.00 0.00 H new ATOM 0 HG SER A 92 -15.521 7.695 11.813 1.00 0.00 H new ATOM 1326 N ASN A 93 -12.604 4.732 10.490 1.00 0.00 N ATOM 1327 CA ASN A 93 -11.594 3.701 10.321 1.00 0.00 C ATOM 1328 C ASN A 93 -12.281 2.346 10.135 1.00 0.00 C ATOM 1329 O ASN A 93 -11.941 1.594 9.223 1.00 0.00 O ATOM 1330 CB ASN A 93 -10.690 3.607 11.552 1.00 0.00 C ATOM 1331 CG ASN A 93 -9.653 4.731 11.557 1.00 0.00 C ATOM 1332 OD1 ASN A 93 -8.860 4.884 10.641 1.00 0.00 O ATOM 1333 ND2 ASN A 93 -9.701 5.507 12.636 1.00 0.00 N ATOM 0 H ASN A 93 -12.530 5.263 11.358 1.00 0.00 H new ATOM 0 HA ASN A 93 -10.991 3.959 9.450 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -11.295 3.661 12.457 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.185 2.641 11.564 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.049 6.285 12.734 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.390 5.324 13.366 1.00 0.00 H new ATOM 1340 N HIS A 94 -13.236 2.077 11.014 1.00 0.00 N ATOM 1341 CA HIS A 94 -13.973 0.827 10.958 1.00 0.00 C ATOM 1342 C HIS A 94 -14.774 0.761 9.656 1.00 0.00 C ATOM 1343 O HIS A 94 -14.420 0.019 8.741 1.00 0.00 O ATOM 1344 CB HIS A 94 -14.848 0.656 12.201 1.00 0.00 C ATOM 1345 CG HIS A 94 -15.512 1.930 12.665 1.00 0.00 C ATOM 1346 ND1 HIS A 94 -14.833 2.924 13.348 1.00 0.00 N ATOM 1347 CD2 HIS A 94 -16.799 2.363 12.536 1.00 0.00 C ATOM 1348 CE1 HIS A 94 -15.683 3.905 13.614 1.00 0.00 C ATOM 1349 NE2 HIS A 94 -16.901 3.555 13.110 1.00 0.00 N ATOM 0 H HIS A 94 -13.516 2.704 11.769 1.00 0.00 H new ATOM 0 HA HIS A 94 -13.275 -0.010 10.958 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -15.617 -0.087 11.992 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.236 0.261 13.012 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -17.600 1.826 12.049 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -15.452 4.821 14.138 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.750 4.117 13.165 1.00 0.00 H new ATOM 1357 N GLU A 95 -15.840 1.548 9.614 1.00 0.00 N ATOM 1358 CA GLU A 95 -16.694 1.589 8.439 1.00 0.00 C ATOM 1359 C GLU A 95 -15.851 1.492 7.166 1.00 0.00 C ATOM 1360 O GLU A 95 -15.968 0.528 6.411 1.00 0.00 O ATOM 1361 CB GLU A 95 -17.556 2.853 8.432 1.00 0.00 C ATOM 1362 CG GLU A 95 -18.212 3.078 9.795 1.00 0.00 C ATOM 1363 CD GLU A 95 -19.448 3.970 9.669 1.00 0.00 C ATOM 1364 OE1 GLU A 95 -19.264 5.143 9.280 1.00 0.00 O ATOM 1365 OE2 GLU A 95 -20.550 3.458 9.963 1.00 0.00 O ATOM 0 H GLU A 95 -16.131 2.162 10.375 1.00 0.00 H new ATOM 0 HA GLU A 95 -17.366 0.731 8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.941 3.715 8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -18.325 2.769 7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -18.494 2.119 10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -17.496 3.538 10.476 1.00 0.00 H new ATOM 1372 N ALA A 96 -15.020 2.505 6.966 1.00 0.00 N ATOM 1373 CA ALA A 96 -14.158 2.546 5.798 1.00 0.00 C ATOM 1374 C ALA A 96 -13.631 1.139 5.508 1.00 0.00 C ATOM 1375 O ALA A 96 -14.006 0.525 4.510 1.00 0.00 O ATOM 1376 CB ALA A 96 -13.031 3.554 6.030 1.00 0.00 C ATOM 0 H ALA A 96 -14.926 3.303 7.594 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.716 2.876 4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.384 3.585 5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.457 4.543 6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -12.448 3.254 6.901 1.00 0.00 H new ATOM 1382 N MET A 97 -12.769 0.669 6.399 1.00 0.00 N ATOM 1383 CA MET A 97 -12.187 -0.654 6.251 1.00 0.00 C ATOM 1384 C MET A 97 -13.264 -1.695 5.941 1.00 0.00 C ATOM 1385 O MET A 97 -13.003 -2.675 5.244 1.00 0.00 O ATOM 1386 CB MET A 97 -11.461 -1.039 7.541 1.00 0.00 C ATOM 1387 CG MET A 97 -10.074 -0.395 7.603 1.00 0.00 C ATOM 1388 SD MET A 97 -9.072 -0.974 6.243 1.00 0.00 S ATOM 1389 CE MET A 97 -7.964 -2.066 7.118 1.00 0.00 C ATOM 0 H MET A 97 -12.460 1.181 7.225 1.00 0.00 H new ATOM 0 HA MET A 97 -11.482 -0.630 5.420 1.00 0.00 H new ATOM 0 HB2 MET A 97 -12.051 -0.725 8.402 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.365 -2.123 7.599 1.00 0.00 H new ATOM 0 HG2 MET A 97 -10.166 0.690 7.562 1.00 0.00 H new ATOM 0 HG3 MET A 97 -9.593 -0.639 8.550 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.324 -2.583 6.404 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.347 -1.485 7.804 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.544 -2.797 7.682 1.00 0.00 H new ATOM 1399 N GLU A 98 -14.452 -1.448 6.474 1.00 0.00 N ATOM 1400 CA GLU A 98 -15.569 -2.353 6.263 1.00 0.00 C ATOM 1401 C GLU A 98 -16.012 -2.317 4.799 1.00 0.00 C ATOM 1402 O GLU A 98 -16.446 -3.330 4.253 1.00 0.00 O ATOM 1403 CB GLU A 98 -16.734 -2.012 7.196 1.00 0.00 C ATOM 1404 CG GLU A 98 -17.932 -1.483 6.406 1.00 0.00 C ATOM 1405 CD GLU A 98 -18.663 -2.620 5.689 1.00 0.00 C ATOM 1406 OE1 GLU A 98 -18.552 -3.764 6.181 1.00 0.00 O ATOM 1407 OE2 GLU A 98 -19.315 -2.320 4.667 1.00 0.00 O ATOM 0 H GLU A 98 -14.665 -0.635 7.051 1.00 0.00 H new ATOM 0 HA GLU A 98 -15.241 -3.365 6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -17.027 -2.899 7.757 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -16.415 -1.266 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -18.620 -0.972 7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -17.594 -0.746 5.677 1.00 0.00 H new ATOM 1414 N THR A 99 -15.886 -1.140 4.204 1.00 0.00 N ATOM 1415 CA THR A 99 -16.268 -0.959 2.814 1.00 0.00 C ATOM 1416 C THR A 99 -15.304 -1.712 1.894 1.00 0.00 C ATOM 1417 O THR A 99 -15.733 -2.408 0.976 1.00 0.00 O ATOM 1418 CB THR A 99 -16.328 0.543 2.532 1.00 0.00 C ATOM 1419 OG1 THR A 99 -17.668 0.904 2.855 1.00 0.00 O ATOM 1420 CG2 THR A 99 -16.205 0.865 1.041 1.00 0.00 C ATOM 0 H THR A 99 -15.525 -0.302 4.659 1.00 0.00 H new ATOM 0 HA THR A 99 -17.253 -1.381 2.616 1.00 0.00 H new ATOM 0 HB THR A 99 -15.531 1.046 3.079 1.00 0.00 H new ATOM 0 HG1 THR A 99 -18.086 1.337 2.082 1.00 0.00 H new ATOM 0 HG21 THR A 99 -16.254 1.944 0.897 1.00 0.00 H new ATOM 0 HG22 THR A 99 -15.252 0.491 0.665 1.00 0.00 H new ATOM 0 HG23 THR A 99 -17.021 0.389 0.497 1.00 0.00 H new ATOM 1428 N LEU A 100 -14.019 -1.546 2.174 1.00 0.00 N ATOM 1429 CA LEU A 100 -12.991 -2.202 1.383 1.00 0.00 C ATOM 1430 C LEU A 100 -13.399 -3.654 1.127 1.00 0.00 C ATOM 1431 O LEU A 100 -13.802 -4.003 0.018 1.00 0.00 O ATOM 1432 CB LEU A 100 -11.625 -2.057 2.055 1.00 0.00 C ATOM 1433 CG LEU A 100 -10.409 -2.336 1.170 1.00 0.00 C ATOM 1434 CD1 LEU A 100 -10.086 -1.130 0.285 1.00 0.00 C ATOM 1435 CD2 LEU A 100 -9.206 -2.768 2.011 1.00 0.00 C ATOM 0 H LEU A 100 -13.667 -0.967 2.937 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.895 -1.721 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.540 -1.043 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.590 -2.732 2.910 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.653 -3.166 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.217 -1.355 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.940 -0.909 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.870 -0.266 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.355 -2.960 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.951 -1.976 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.454 -3.676 2.561 1.00 0.00 H new ATOM 1447 N ARG A 101 -13.282 -4.461 2.170 1.00 0.00 N ATOM 1448 CA ARG A 101 -13.633 -5.868 2.072 1.00 0.00 C ATOM 1449 C ARG A 101 -14.941 -6.035 1.296 1.00 0.00 C ATOM 1450 O ARG A 101 -15.097 -6.986 0.532 1.00 0.00 O ATOM 1451 CB ARG A 101 -13.787 -6.495 3.459 1.00 0.00 C ATOM 1452 CG ARG A 101 -14.921 -5.828 4.240 1.00 0.00 C ATOM 1453 CD ARG A 101 -15.058 -6.439 5.636 1.00 0.00 C ATOM 1454 NE ARG A 101 -15.998 -7.581 5.599 1.00 0.00 N ATOM 1455 CZ ARG A 101 -16.257 -8.375 6.646 1.00 0.00 C ATOM 1456 NH1 ARG A 101 -15.648 -8.156 7.820 1.00 0.00 N ATOM 1457 NH2 ARG A 101 -17.125 -9.389 6.521 1.00 0.00 N ATOM 0 H ARG A 101 -12.949 -4.168 3.088 1.00 0.00 H new ATOM 0 HA ARG A 101 -12.826 -6.376 1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -13.988 -7.562 3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -12.853 -6.397 4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -14.729 -4.758 4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -15.858 -5.942 3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.083 -6.771 5.994 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -15.416 -5.686 6.338 1.00 0.00 H new ATOM 0 HE ARG A 101 -16.479 -7.776 4.721 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -14.987 -7.385 7.916 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.845 -8.761 8.617 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -17.589 -9.556 5.628 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -17.322 -9.993 7.319 1.00 0.00 H new ATOM 1471 N ARG A 102 -15.848 -5.095 1.519 1.00 0.00 N ATOM 1472 CA ARG A 102 -17.138 -5.126 0.850 1.00 0.00 C ATOM 1473 C ARG A 102 -16.950 -5.102 -0.668 1.00 0.00 C ATOM 1474 O ARG A 102 -17.398 -6.009 -1.367 1.00 0.00 O ATOM 1475 CB ARG A 102 -18.004 -3.936 1.268 1.00 0.00 C ATOM 1476 CG ARG A 102 -19.491 -4.288 1.194 1.00 0.00 C ATOM 1477 CD ARG A 102 -20.173 -4.076 2.548 1.00 0.00 C ATOM 1478 NE ARG A 102 -21.317 -5.004 2.689 1.00 0.00 N ATOM 1479 CZ ARG A 102 -22.471 -4.882 2.018 1.00 0.00 C ATOM 1480 NH1 ARG A 102 -22.640 -3.871 1.156 1.00 0.00 N ATOM 1481 NH2 ARG A 102 -23.455 -5.771 2.210 1.00 0.00 N ATOM 0 H ARG A 102 -15.715 -4.307 2.153 1.00 0.00 H new ATOM 0 HA ARG A 102 -17.641 -6.048 1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -17.748 -3.634 2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -17.795 -3.084 0.620 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -19.977 -3.672 0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -19.608 -5.326 0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -19.458 -4.241 3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -20.517 -3.045 2.634 1.00 0.00 H new ATOM 0 HE ARG A 102 -21.221 -5.786 3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -21.891 -3.194 1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -23.518 -3.778 0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -23.326 -6.541 2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -24.333 -5.678 1.699 1.00 0.00 H new ATOM 1495 N SER A 103 -16.286 -4.054 -1.134 1.00 0.00 N ATOM 1496 CA SER A 103 -16.032 -3.900 -2.556 1.00 0.00 C ATOM 1497 C SER A 103 -15.187 -5.068 -3.067 1.00 0.00 C ATOM 1498 O SER A 103 -15.403 -5.558 -4.174 1.00 0.00 O ATOM 1499 CB SER A 103 -15.334 -2.571 -2.850 1.00 0.00 C ATOM 1500 OG SER A 103 -13.921 -2.664 -2.692 1.00 0.00 O ATOM 0 H SER A 103 -15.916 -3.303 -0.551 1.00 0.00 H new ATOM 0 HA SER A 103 -16.990 -3.899 -3.076 1.00 0.00 H new ATOM 0 HB2 SER A 103 -15.565 -2.258 -3.868 1.00 0.00 H new ATOM 0 HB3 SER A 103 -15.724 -1.802 -2.183 1.00 0.00 H new ATOM 0 HG SER A 103 -13.714 -3.030 -1.807 1.00 0.00 H new ATOM 1506 N MET A 104 -14.243 -5.482 -2.234 1.00 0.00 N ATOM 1507 CA MET A 104 -13.364 -6.584 -2.588 1.00 0.00 C ATOM 1508 C MET A 104 -14.167 -7.849 -2.894 1.00 0.00 C ATOM 1509 O MET A 104 -13.739 -8.684 -3.689 1.00 0.00 O ATOM 1510 CB MET A 104 -12.399 -6.858 -1.432 1.00 0.00 C ATOM 1511 CG MET A 104 -11.329 -5.768 -1.341 1.00 0.00 C ATOM 1512 SD MET A 104 -10.597 -5.766 0.287 1.00 0.00 S ATOM 1513 CE MET A 104 -10.326 -7.517 0.507 1.00 0.00 C ATOM 0 H MET A 104 -14.068 -5.074 -1.316 1.00 0.00 H new ATOM 0 HA MET A 104 -12.805 -6.307 -3.482 1.00 0.00 H new ATOM 0 HB2 MET A 104 -12.953 -6.908 -0.495 1.00 0.00 H new ATOM 0 HB3 MET A 104 -11.923 -7.829 -1.573 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.560 -5.938 -2.094 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.771 -4.794 -1.551 1.00 0.00 H new ATOM 0 HE1 MET A 104 -9.437 -7.674 1.117 1.00 0.00 H new ATOM 0 HE2 MET A 104 -11.190 -7.959 1.004 1.00 0.00 H new ATOM 0 HE3 MET A 104 -10.186 -7.989 -0.466 1.00 0.00 H new ATOM 1523 N SER A 105 -15.318 -7.952 -2.246 1.00 0.00 N ATOM 1524 CA SER A 105 -16.185 -9.102 -2.438 1.00 0.00 C ATOM 1525 C SER A 105 -17.264 -8.776 -3.473 1.00 0.00 C ATOM 1526 O SER A 105 -17.697 -9.652 -4.220 1.00 0.00 O ATOM 1527 CB SER A 105 -16.829 -9.534 -1.119 1.00 0.00 C ATOM 1528 OG SER A 105 -17.205 -10.909 -1.134 1.00 0.00 O ATOM 0 H SER A 105 -15.670 -7.258 -1.587 1.00 0.00 H new ATOM 0 HA SER A 105 -15.578 -9.931 -2.803 1.00 0.00 H new ATOM 0 HB2 SER A 105 -16.132 -9.358 -0.300 1.00 0.00 H new ATOM 0 HB3 SER A 105 -17.709 -8.920 -0.927 1.00 0.00 H new ATOM 0 HG SER A 105 -17.611 -11.147 -0.274 1.00 0.00 H new ATOM 1534 N MET A 106 -17.667 -7.514 -3.484 1.00 0.00 N ATOM 1535 CA MET A 106 -18.687 -7.062 -4.415 1.00 0.00 C ATOM 1536 C MET A 106 -18.066 -6.653 -5.752 1.00 0.00 C ATOM 1537 O MET A 106 -18.265 -7.324 -6.764 1.00 0.00 O ATOM 1538 CB MET A 106 -19.435 -5.870 -3.814 1.00 0.00 C ATOM 1539 CG MET A 106 -20.892 -6.230 -3.517 1.00 0.00 C ATOM 1540 SD MET A 106 -21.023 -6.951 -1.889 1.00 0.00 S ATOM 1541 CE MET A 106 -21.162 -8.677 -2.324 1.00 0.00 C ATOM 0 H MET A 106 -17.306 -6.790 -2.863 1.00 0.00 H new ATOM 0 HA MET A 106 -19.380 -7.885 -4.593 1.00 0.00 H new ATOM 0 HB2 MET A 106 -18.941 -5.551 -2.896 1.00 0.00 H new ATOM 0 HB3 MET A 106 -19.398 -5.027 -4.505 1.00 0.00 H new ATOM 0 HG2 MET A 106 -21.516 -5.338 -3.580 1.00 0.00 H new ATOM 0 HG3 MET A 106 -21.262 -6.931 -4.265 1.00 0.00 H new ATOM 0 HE1 MET A 106 -21.412 -9.257 -1.436 1.00 0.00 H new ATOM 0 HE2 MET A 106 -21.946 -8.802 -3.071 1.00 0.00 H new ATOM 0 HE3 MET A 106 -20.213 -9.027 -2.731 1.00 0.00 H new ATOM 1551 N GLU A 107 -17.326 -5.555 -5.714 1.00 0.00 N ATOM 1552 CA GLU A 107 -16.675 -5.049 -6.910 1.00 0.00 C ATOM 1553 C GLU A 107 -15.825 -6.145 -7.556 1.00 0.00 C ATOM 1554 O GLU A 107 -15.501 -6.068 -8.740 1.00 0.00 O ATOM 1555 CB GLU A 107 -15.829 -3.814 -6.593 1.00 0.00 C ATOM 1556 CG GLU A 107 -16.670 -2.538 -6.674 1.00 0.00 C ATOM 1557 CD GLU A 107 -16.898 -2.123 -8.129 1.00 0.00 C ATOM 1558 OE1 GLU A 107 -16.877 -3.030 -8.988 1.00 0.00 O ATOM 1559 OE2 GLU A 107 -17.088 -0.907 -8.349 1.00 0.00 O ATOM 0 H GLU A 107 -17.163 -5.001 -4.873 1.00 0.00 H new ATOM 0 HA GLU A 107 -17.446 -4.748 -7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -15.400 -3.909 -5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.996 -3.750 -7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -17.630 -2.699 -6.183 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -16.169 -1.733 -6.137 1.00 0.00 H new ATOM 1566 N GLY A 108 -15.488 -7.140 -6.749 1.00 0.00 N ATOM 1567 CA GLY A 108 -14.681 -8.250 -7.226 1.00 0.00 C ATOM 1568 C GLY A 108 -15.564 -9.419 -7.669 1.00 0.00 C ATOM 1569 O GLY A 108 -15.071 -10.398 -8.226 1.00 0.00 O ATOM 0 H GLY A 108 -15.759 -7.201 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -14.061 -7.921 -8.060 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -14.005 -8.579 -6.436 1.00 0.00 H new ATOM 1573 N ASN A 109 -16.855 -9.277 -7.404 1.00 0.00 N ATOM 1574 CA ASN A 109 -17.811 -10.308 -7.768 1.00 0.00 C ATOM 1575 C ASN A 109 -18.375 -10.008 -9.159 1.00 0.00 C ATOM 1576 O ASN A 109 -18.292 -10.841 -10.060 1.00 0.00 O ATOM 1577 CB ASN A 109 -18.981 -10.347 -6.783 1.00 0.00 C ATOM 1578 CG ASN A 109 -18.858 -11.540 -5.833 1.00 0.00 C ATOM 1579 OD1 ASN A 109 -18.235 -12.545 -6.134 1.00 0.00 O ATOM 1580 ND2 ASN A 109 -19.486 -11.374 -4.672 1.00 0.00 N ATOM 0 H ASN A 109 -17.261 -8.463 -6.942 1.00 0.00 H new ATOM 0 HA ASN A 109 -17.293 -11.267 -7.752 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -19.008 -9.421 -6.208 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -19.921 -10.410 -7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -19.464 -12.114 -3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -19.990 -10.507 -4.484 1.00 0.00 H new ATOM 1587 N ILE A 110 -18.935 -8.814 -9.290 1.00 0.00 N ATOM 1588 CA ILE A 110 -19.511 -8.394 -10.556 1.00 0.00 C ATOM 1589 C ILE A 110 -18.389 -7.978 -11.509 1.00 0.00 C ATOM 1590 O ILE A 110 -18.439 -8.279 -12.701 1.00 0.00 O ATOM 1591 CB ILE A 110 -20.562 -7.304 -10.330 1.00 0.00 C ATOM 1592 CG1 ILE A 110 -19.900 -5.950 -10.069 1.00 0.00 C ATOM 1593 CG2 ILE A 110 -21.527 -7.697 -9.209 1.00 0.00 C ATOM 1594 CD1 ILE A 110 -19.372 -5.865 -8.636 1.00 0.00 C ATOM 0 H ILE A 110 -19.002 -8.125 -8.541 1.00 0.00 H new ATOM 0 HA ILE A 110 -20.040 -9.222 -11.028 1.00 0.00 H new ATOM 0 HB ILE A 110 -21.152 -7.203 -11.241 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.080 -5.800 -10.772 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -20.619 -5.150 -10.243 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -22.263 -6.906 -9.069 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -22.036 -8.623 -9.475 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -20.970 -7.842 -8.284 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -18.906 -4.892 -8.477 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -20.198 -5.991 -7.936 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -18.635 -6.651 -8.473 1.00 0.00 H new ATOM 1606 N ARG A 111 -17.404 -7.292 -10.949 1.00 0.00 N ATOM 1607 CA ARG A 111 -16.271 -6.832 -11.735 1.00 0.00 C ATOM 1608 C ARG A 111 -15.111 -7.823 -11.624 1.00 0.00 C ATOM 1609 O ARG A 111 -14.824 -8.556 -12.570 1.00 0.00 O ATOM 1610 CB ARG A 111 -15.801 -5.453 -11.268 1.00 0.00 C ATOM 1611 CG ARG A 111 -15.856 -4.439 -12.412 1.00 0.00 C ATOM 1612 CD ARG A 111 -14.450 -4.093 -12.906 1.00 0.00 C ATOM 1613 NE ARG A 111 -13.866 -3.026 -12.063 1.00 0.00 N ATOM 1614 CZ ARG A 111 -12.932 -2.162 -12.484 1.00 0.00 C ATOM 1615 NH1 ARG A 111 -12.470 -2.234 -13.740 1.00 0.00 N ATOM 1616 NH2 ARG A 111 -12.459 -1.226 -11.649 1.00 0.00 N ATOM 0 H ARG A 111 -17.367 -7.043 -9.960 1.00 0.00 H new ATOM 0 HA ARG A 111 -16.594 -6.761 -12.773 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -16.427 -5.111 -10.444 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -14.782 -5.522 -10.887 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -16.445 -4.845 -13.235 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -16.360 -3.533 -12.076 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -13.817 -4.979 -12.876 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -14.491 -3.766 -13.945 1.00 0.00 H new ATOM 0 HE ARG A 111 -14.195 -2.943 -11.101 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -12.829 -2.946 -14.375 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -11.759 -1.576 -14.060 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -12.810 -1.171 -10.693 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -11.748 -0.569 -11.970 1.00 0.00 H new ATOM 1630 N GLY A 112 -14.475 -7.814 -10.462 1.00 0.00 N ATOM 1631 CA GLY A 112 -13.353 -8.703 -10.216 1.00 0.00 C ATOM 1632 C GLY A 112 -12.066 -7.910 -9.980 1.00 0.00 C ATOM 1633 O GLY A 112 -10.973 -8.473 -9.999 1.00 0.00 O ATOM 0 H GLY A 112 -14.716 -7.205 -9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -13.563 -9.328 -9.348 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -13.221 -9.372 -11.066 1.00 0.00 H new ATOM 1637 N MET A 113 -12.239 -6.614 -9.764 1.00 0.00 N ATOM 1638 CA MET A 113 -11.106 -5.737 -9.525 1.00 0.00 C ATOM 1639 C MET A 113 -11.429 -4.706 -8.441 1.00 0.00 C ATOM 1640 O MET A 113 -12.572 -4.604 -7.998 1.00 0.00 O ATOM 1641 CB MET A 113 -10.735 -5.016 -10.822 1.00 0.00 C ATOM 1642 CG MET A 113 -9.993 -5.952 -11.778 1.00 0.00 C ATOM 1643 SD MET A 113 -10.700 -5.841 -13.413 1.00 0.00 S ATOM 1644 CE MET A 113 -9.897 -4.358 -13.998 1.00 0.00 C ATOM 0 H MET A 113 -13.147 -6.150 -9.750 1.00 0.00 H new ATOM 0 HA MET A 113 -10.267 -6.344 -9.184 1.00 0.00 H new ATOM 0 HB2 MET A 113 -11.637 -4.640 -11.304 1.00 0.00 H new ATOM 0 HB3 MET A 113 -10.110 -4.152 -10.596 1.00 0.00 H new ATOM 0 HG2 MET A 113 -8.936 -5.688 -11.811 1.00 0.00 H new ATOM 0 HG3 MET A 113 -10.054 -6.978 -11.416 1.00 0.00 H new ATOM 0 HE1 MET A 113 -10.268 -4.112 -14.993 1.00 0.00 H new ATOM 0 HE2 MET A 113 -10.112 -3.535 -13.316 1.00 0.00 H new ATOM 0 HE3 MET A 113 -8.820 -4.521 -14.042 1.00 0.00 H new ATOM 1654 N ILE A 114 -10.402 -3.968 -8.046 1.00 0.00 N ATOM 1655 CA ILE A 114 -10.562 -2.949 -7.023 1.00 0.00 C ATOM 1656 C ILE A 114 -9.594 -1.797 -7.301 1.00 0.00 C ATOM 1657 O ILE A 114 -8.450 -2.024 -7.694 1.00 0.00 O ATOM 1658 CB ILE A 114 -10.407 -3.560 -5.629 1.00 0.00 C ATOM 1659 CG1 ILE A 114 -10.753 -2.540 -4.542 1.00 0.00 C ATOM 1660 CG2 ILE A 114 -9.007 -4.147 -5.440 1.00 0.00 C ATOM 1661 CD1 ILE A 114 -11.092 -3.239 -3.223 1.00 0.00 C ATOM 0 H ILE A 114 -9.456 -4.056 -8.416 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.569 -2.534 -7.053 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.116 -4.383 -5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -9.912 -1.862 -4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -11.599 -1.933 -4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.924 -4.575 -4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -8.835 -4.925 -6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.263 -3.360 -5.561 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -11.334 -2.492 -2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -11.948 -3.898 -3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -10.235 -3.826 -2.892 1.00 0.00 H new ATOM 1673 N GLN A 115 -10.087 -0.587 -7.086 1.00 0.00 N ATOM 1674 CA GLN A 115 -9.280 0.601 -7.308 1.00 0.00 C ATOM 1675 C GLN A 115 -8.923 1.258 -5.972 1.00 0.00 C ATOM 1676 O GLN A 115 -9.696 1.190 -5.018 1.00 0.00 O ATOM 1677 CB GLN A 115 -9.998 1.588 -8.230 1.00 0.00 C ATOM 1678 CG GLN A 115 -9.248 2.919 -8.299 1.00 0.00 C ATOM 1679 CD GLN A 115 -10.084 3.984 -9.012 1.00 0.00 C ATOM 1680 OE1 GLN A 115 -10.548 4.945 -8.421 1.00 0.00 O ATOM 1681 NE2 GLN A 115 -10.251 3.759 -10.313 1.00 0.00 N ATOM 0 H GLN A 115 -11.036 -0.403 -6.760 1.00 0.00 H new ATOM 0 HA GLN A 115 -8.356 0.301 -7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -10.082 1.162 -9.230 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -11.012 1.757 -7.869 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -9.006 3.256 -7.291 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -8.303 2.781 -8.825 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -9.835 2.934 -10.745 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -10.795 4.411 -10.878 1.00 0.00 H new ATOM 1690 N LEU A 116 -7.753 1.878 -5.949 1.00 0.00 N ATOM 1691 CA LEU A 116 -7.284 2.546 -4.746 1.00 0.00 C ATOM 1692 C LEU A 116 -6.870 3.978 -5.092 1.00 0.00 C ATOM 1693 O LEU A 116 -5.950 4.188 -5.880 1.00 0.00 O ATOM 1694 CB LEU A 116 -6.177 1.730 -4.077 1.00 0.00 C ATOM 1695 CG LEU A 116 -6.547 0.302 -3.672 1.00 0.00 C ATOM 1696 CD1 LEU A 116 -5.323 -0.455 -3.151 1.00 0.00 C ATOM 1697 CD2 LEU A 116 -7.696 0.298 -2.663 1.00 0.00 C ATOM 0 H LEU A 116 -7.116 1.932 -6.743 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.086 2.614 -4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -5.326 1.685 -4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.846 2.265 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.897 -0.225 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.614 -1.467 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.563 -0.499 -3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.919 0.061 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.939 -0.730 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.398 0.848 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.571 0.773 -3.106 1.00 0.00 H new ATOM 1709 N VAL A 117 -7.570 4.925 -4.486 1.00 0.00 N ATOM 1710 CA VAL A 117 -7.287 6.331 -4.720 1.00 0.00 C ATOM 1711 C VAL A 117 -6.496 6.891 -3.536 1.00 0.00 C ATOM 1712 O VAL A 117 -7.036 7.043 -2.441 1.00 0.00 O ATOM 1713 CB VAL A 117 -8.589 7.090 -4.983 1.00 0.00 C ATOM 1714 CG1 VAL A 117 -8.306 8.537 -5.395 1.00 0.00 C ATOM 1715 CG2 VAL A 117 -9.437 6.376 -6.036 1.00 0.00 C ATOM 0 H VAL A 117 -8.333 4.747 -3.833 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.670 6.454 -5.610 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.158 7.111 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -9.248 9.055 -5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.762 9.043 -4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.707 8.546 -6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.357 6.937 -6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.878 6.309 -6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.682 5.373 -5.687 1.00 0.00 H new ATOM 1725 N ILE A 118 -5.230 7.184 -3.796 1.00 0.00 N ATOM 1726 CA ILE A 118 -4.360 7.724 -2.765 1.00 0.00 C ATOM 1727 C ILE A 118 -4.179 9.226 -2.993 1.00 0.00 C ATOM 1728 O ILE A 118 -4.411 9.723 -4.093 1.00 0.00 O ATOM 1729 CB ILE A 118 -3.044 6.947 -2.714 1.00 0.00 C ATOM 1730 CG1 ILE A 118 -2.178 7.253 -3.938 1.00 0.00 C ATOM 1731 CG2 ILE A 118 -3.298 5.447 -2.553 1.00 0.00 C ATOM 1732 CD1 ILE A 118 -1.129 8.319 -3.615 1.00 0.00 C ATOM 0 H ILE A 118 -4.786 7.058 -4.706 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.813 7.602 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 118 -2.488 7.276 -1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -1.684 6.342 -4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -2.809 7.595 -4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.345 4.918 -2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.845 5.268 -1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -3.885 5.085 -3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.527 8.518 -4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -1.627 9.236 -3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -0.484 7.963 -2.811 1.00 0.00 H new ATOM 1744 N LEU A 119 -3.766 9.907 -1.934 1.00 0.00 N ATOM 1745 CA LEU A 119 -3.552 11.343 -2.004 1.00 0.00 C ATOM 1746 C LEU A 119 -2.129 11.664 -1.542 1.00 0.00 C ATOM 1747 O LEU A 119 -1.735 11.301 -0.435 1.00 0.00 O ATOM 1748 CB LEU A 119 -4.635 12.086 -1.220 1.00 0.00 C ATOM 1749 CG LEU A 119 -4.562 13.613 -1.258 1.00 0.00 C ATOM 1750 CD1 LEU A 119 -3.517 14.137 -0.270 1.00 0.00 C ATOM 1751 CD2 LEU A 119 -4.307 14.115 -2.681 1.00 0.00 C ATOM 0 H LEU A 119 -3.574 9.491 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 119 -3.641 11.692 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.608 11.779 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.587 11.766 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 119 -5.528 14.009 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -3.485 15.226 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -3.783 13.825 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.538 13.734 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -4.260 15.204 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -3.362 13.711 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.117 13.788 -3.333 1.00 0.00 H new ATOM 1763 N ARG A 120 -1.397 12.342 -2.414 1.00 0.00 N ATOM 1764 CA ARG A 120 -0.026 12.716 -2.110 1.00 0.00 C ATOM 1765 C ARG A 120 0.150 14.231 -2.234 1.00 0.00 C ATOM 1766 O ARG A 120 -0.193 14.817 -3.260 1.00 0.00 O ATOM 1767 CB ARG A 120 0.958 12.016 -3.049 1.00 0.00 C ATOM 1768 CG ARG A 120 2.380 12.060 -2.486 1.00 0.00 C ATOM 1769 CD ARG A 120 3.095 10.724 -2.699 1.00 0.00 C ATOM 1770 NE ARG A 120 4.179 10.884 -3.695 1.00 0.00 N ATOM 1771 CZ ARG A 120 4.919 9.873 -4.168 1.00 0.00 C ATOM 1772 NH1 ARG A 120 4.697 8.622 -3.740 1.00 0.00 N ATOM 1773 NH2 ARG A 120 5.881 10.111 -5.070 1.00 0.00 N ATOM 0 H ARG A 120 -1.728 12.642 -3.331 1.00 0.00 H new ATOM 0 HA ARG A 120 0.184 12.405 -1.087 1.00 0.00 H new ATOM 0 HB2 ARG A 120 0.653 10.980 -3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 120 0.936 12.495 -4.028 1.00 0.00 H new ATOM 0 HG2 ARG A 120 2.942 12.859 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 120 2.347 12.293 -1.422 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.507 10.368 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.384 9.972 -3.041 1.00 0.00 H new ATOM 0 HE ARG A 120 4.374 11.823 -4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 120 3.964 8.440 -3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 120 5.261 7.852 -4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 120 6.050 11.062 -5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 120 6.444 9.341 -5.430 1.00 0.00 H new