USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=19 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 91 LYS NZ :NH3+ -170:sc= 0.681 (180deg=0) USER MOD Set 1.2: A 99 THR OG1 : rot 90:sc= 0.571 USER MOD Set 2.1: A 24 GLN : amide:sc= -4.91 K(o=-5.9,f=1.6) USER MOD Set 2.2: A 26 THR OG1 : rot 180:sc= -0.96 USER MOD Single : A 32 ASN : amide:sc= -2.37! C(o=-2.4!,f=-10!) USER MOD Single : A 34 SER OG : rot 20:sc= 0.647 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+ 155:sc= -0.0156 (180deg=-0.374) USER MOD Single : A 46 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.69) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -170:sc= -0.0307 USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.119 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 : no HE2:sc= -2.08! C(o=-2.1!,f=-4.3!) 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= 0 X(o=0,f=0) USER MOD Single : A 79 GLN : amide:sc= -0.279 K(o=-0.28,f=-0.82) USER MOD Single : A 84 ASN : amide:sc= -5.29! K(o=-5.3!,f=-2.9) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.112 K(o=-0.11,f=-3!) USER MOD Single : A 94 HIS : no HD1:sc= -5.7! C(o=-5.7!,f=-5.6!) USER MOD Single : A 97 MET CE :methyl 169:sc= -2.01! (180deg=-2.12!) USER MOD Single : A 103 SER OG : rot 180:sc= -0.464 USER MOD Single : A 104 MET CE :methyl 158:sc= -2.68! (180deg=-4.91!) USER MOD Single : A 105 SER OG : rot -52:sc= 1.2 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -3.23! C(o=-3.2!,f=-3.6!) USER MOD Single : A 113 MET CE :methyl 152:sc= -0.111 (180deg=-0.635) USER MOD Single : A 115 GLN : amide:sc= -4.46! C(o=-4.5!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 283 N GLU A 23 -1.893 16.002 -5.437 1.00 0.00 N ATOM 284 CA GLU A 23 -1.558 14.887 -6.307 1.00 0.00 C ATOM 285 C GLU A 23 -2.359 13.645 -5.911 1.00 0.00 C ATOM 286 O GLU A 23 -2.432 13.299 -4.733 1.00 0.00 O ATOM 287 CB GLU A 23 -0.055 14.603 -6.279 1.00 0.00 C ATOM 288 CG GLU A 23 0.616 15.074 -7.571 1.00 0.00 C ATOM 289 CD GLU A 23 0.269 14.148 -8.739 1.00 0.00 C ATOM 290 OE1 GLU A 23 0.635 12.956 -8.646 1.00 0.00 O ATOM 291 OE2 GLU A 23 -0.355 14.653 -9.697 1.00 0.00 O ATOM 0 HA GLU A 23 -1.825 15.156 -7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.398 15.107 -5.425 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.114 13.535 -6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.297 16.090 -7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.697 15.103 -7.434 1.00 0.00 H new ATOM 298 N GLN A 24 -2.939 13.008 -6.918 1.00 0.00 N ATOM 299 CA GLN A 24 -3.731 11.812 -6.690 1.00 0.00 C ATOM 300 C GLN A 24 -3.416 10.756 -7.751 1.00 0.00 C ATOM 301 O GLN A 24 -3.287 11.077 -8.932 1.00 0.00 O ATOM 302 CB GLN A 24 -5.226 12.140 -6.669 1.00 0.00 C ATOM 303 CG GLN A 24 -6.064 10.868 -6.525 1.00 0.00 C ATOM 304 CD GLN A 24 -6.777 10.530 -7.836 1.00 0.00 C ATOM 305 OE1 GLN A 24 -7.865 11.003 -8.120 1.00 0.00 O ATOM 306 NE2 GLN A 24 -6.106 9.688 -8.615 1.00 0.00 N ATOM 0 H GLN A 24 -2.876 13.298 -7.894 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.468 11.406 -5.713 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.442 12.817 -5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.501 12.659 -7.587 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.423 10.037 -6.231 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.799 11.000 -5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.199 9.329 -8.316 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.498 9.400 -9.512 1.00 0.00 H new ATOM 315 N LEU A 25 -3.301 9.518 -7.293 1.00 0.00 N ATOM 316 CA LEU A 25 -3.004 8.413 -8.188 1.00 0.00 C ATOM 317 C LEU A 25 -4.057 7.319 -8.008 1.00 0.00 C ATOM 318 O LEU A 25 -4.540 7.093 -6.899 1.00 0.00 O ATOM 319 CB LEU A 25 -1.569 7.926 -7.979 1.00 0.00 C ATOM 320 CG LEU A 25 -0.467 8.821 -8.552 1.00 0.00 C ATOM 321 CD1 LEU A 25 0.917 8.329 -8.122 1.00 0.00 C ATOM 322 CD2 LEU A 25 -0.588 8.935 -10.073 1.00 0.00 C ATOM 0 H LEU A 25 -3.408 9.256 -6.313 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.058 8.739 -9.227 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.397 7.812 -6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.474 6.936 -8.424 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.594 9.824 -8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.682 8.982 -8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.986 8.342 -7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.070 7.312 -8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.207 9.576 -10.454 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.501 7.945 -10.520 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.556 9.365 -10.330 1.00 0.00 H new ATOM 334 N THR A 26 -4.383 6.667 -9.114 1.00 0.00 N ATOM 335 CA THR A 26 -5.370 5.601 -9.092 1.00 0.00 C ATOM 336 C THR A 26 -4.789 4.323 -9.700 1.00 0.00 C ATOM 337 O THR A 26 -4.571 4.250 -10.908 1.00 0.00 O ATOM 338 CB THR A 26 -6.623 6.102 -9.813 1.00 0.00 C ATOM 339 OG1 THR A 26 -7.006 7.262 -9.079 1.00 0.00 O ATOM 340 CG2 THR A 26 -7.811 5.151 -9.654 1.00 0.00 C ATOM 0 H THR A 26 -3.981 6.857 -10.032 1.00 0.00 H new ATOM 0 HA THR A 26 -5.647 5.340 -8.071 1.00 0.00 H new ATOM 0 HB THR A 26 -6.403 6.233 -10.872 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.811 7.652 -9.480 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.673 5.554 -10.185 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.554 4.176 -10.067 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.053 5.045 -8.597 1.00 0.00 H new ATOM 348 N LEU A 27 -4.555 3.348 -8.835 1.00 0.00 N ATOM 349 CA LEU A 27 -4.003 2.076 -9.271 1.00 0.00 C ATOM 350 C LEU A 27 -5.046 0.976 -9.067 1.00 0.00 C ATOM 351 O LEU A 27 -5.504 0.750 -7.948 1.00 0.00 O ATOM 352 CB LEU A 27 -2.672 1.801 -8.569 1.00 0.00 C ATOM 353 CG LEU A 27 -1.614 2.900 -8.682 1.00 0.00 C ATOM 354 CD1 LEU A 27 -1.252 3.165 -10.144 1.00 0.00 C ATOM 355 CD2 LEU A 27 -2.067 4.173 -7.963 1.00 0.00 C ATOM 0 H LEU A 27 -4.737 3.413 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.774 2.104 -10.336 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.871 1.624 -7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.254 0.879 -8.974 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.708 2.554 -8.184 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.498 3.950 -10.196 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.857 2.253 -10.592 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.142 3.481 -10.688 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.297 4.938 -8.058 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.994 4.533 -8.410 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.233 3.955 -6.908 1.00 0.00 H new ATOM 367 N GLU A 28 -5.390 0.320 -10.165 1.00 0.00 N ATOM 368 CA GLU A 28 -6.371 -0.752 -10.120 1.00 0.00 C ATOM 369 C GLU A 28 -5.678 -2.095 -9.882 1.00 0.00 C ATOM 370 O GLU A 28 -4.571 -2.322 -10.369 1.00 0.00 O ATOM 371 CB GLU A 28 -7.206 -0.785 -11.402 1.00 0.00 C ATOM 372 CG GLU A 28 -7.871 0.569 -11.657 1.00 0.00 C ATOM 373 CD GLU A 28 -8.040 0.822 -13.157 1.00 0.00 C ATOM 374 OE1 GLU A 28 -8.240 -0.176 -13.882 1.00 0.00 O ATOM 375 OE2 GLU A 28 -7.966 2.009 -13.544 1.00 0.00 O ATOM 0 H GLU A 28 -5.007 0.510 -11.091 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.050 -0.563 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.570 -1.047 -12.248 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.969 -1.560 -11.324 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.844 0.598 -11.168 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.269 1.363 -11.216 1.00 0.00 H new ATOM 382 N ILE A 29 -6.358 -2.952 -9.134 1.00 0.00 N ATOM 383 CA ILE A 29 -5.822 -4.266 -8.826 1.00 0.00 C ATOM 384 C ILE A 29 -6.901 -5.323 -9.073 1.00 0.00 C ATOM 385 O ILE A 29 -8.006 -5.222 -8.543 1.00 0.00 O ATOM 386 CB ILE A 29 -5.249 -4.293 -7.408 1.00 0.00 C ATOM 387 CG1 ILE A 29 -3.980 -3.444 -7.314 1.00 0.00 C ATOM 388 CG2 ILE A 29 -5.015 -5.730 -6.938 1.00 0.00 C ATOM 389 CD1 ILE A 29 -3.376 -3.514 -5.909 1.00 0.00 C ATOM 0 H ILE A 29 -7.276 -2.761 -8.732 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.987 -4.501 -9.487 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.983 -3.851 -6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.250 -3.792 -8.045 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.212 -2.408 -7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.607 -5.720 -5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.960 -6.273 -6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.310 -6.222 -7.609 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.475 -2.902 -5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.099 -3.143 -5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.123 -4.548 -5.673 1.00 0.00 H new ATOM 401 N PRO A 30 -6.533 -6.338 -9.900 1.00 0.00 N ATOM 402 CA PRO A 30 -7.456 -7.412 -10.224 1.00 0.00 C ATOM 403 C PRO A 30 -7.607 -8.379 -9.047 1.00 0.00 C ATOM 404 O PRO A 30 -6.658 -8.604 -8.298 1.00 0.00 O ATOM 405 CB PRO A 30 -6.874 -8.072 -11.463 1.00 0.00 C ATOM 406 CG PRO A 30 -5.415 -7.646 -11.515 1.00 0.00 C ATOM 407 CD PRO A 30 -5.232 -6.490 -10.546 1.00 0.00 C ATOM 0 HA PRO A 30 -8.467 -7.053 -10.418 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.962 -9.157 -11.406 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.406 -7.756 -12.360 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.765 -8.478 -11.244 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.141 -7.344 -12.526 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.451 -6.704 -9.817 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.940 -5.579 -11.068 1.00 0.00 H new ATOM 415 N LEU A 31 -8.808 -8.924 -8.922 1.00 0.00 N ATOM 416 CA LEU A 31 -9.096 -9.861 -7.849 1.00 0.00 C ATOM 417 C LEU A 31 -9.640 -11.161 -8.445 1.00 0.00 C ATOM 418 O LEU A 31 -10.540 -11.779 -7.879 1.00 0.00 O ATOM 419 CB LEU A 31 -10.025 -9.223 -6.815 1.00 0.00 C ATOM 420 CG LEU A 31 -9.577 -7.871 -6.254 1.00 0.00 C ATOM 421 CD1 LEU A 31 -10.460 -7.445 -5.080 1.00 0.00 C ATOM 422 CD2 LEU A 31 -8.094 -7.899 -5.877 1.00 0.00 C ATOM 0 H LEU A 31 -9.593 -8.735 -9.546 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.183 -10.114 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.009 -9.098 -7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.143 -9.918 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.696 -7.120 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.120 -6.481 -4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.494 -7.359 -5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.396 -8.191 -4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.801 -6.927 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.925 -8.665 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.498 -8.125 -6.761 1.00 0.00 H new ATOM 434 N ASN A 32 -9.071 -11.537 -9.581 1.00 0.00 N ATOM 435 CA ASN A 32 -9.488 -12.752 -10.260 1.00 0.00 C ATOM 436 C ASN A 32 -9.165 -13.960 -9.379 1.00 0.00 C ATOM 437 O ASN A 32 -10.065 -14.691 -8.967 1.00 0.00 O ATOM 438 CB ASN A 32 -8.746 -12.923 -11.587 1.00 0.00 C ATOM 439 CG ASN A 32 -7.306 -12.418 -11.480 1.00 0.00 C ATOM 440 OD1 ASN A 32 -6.465 -12.998 -10.814 1.00 0.00 O ATOM 441 ND2 ASN A 32 -7.070 -11.306 -12.171 1.00 0.00 N ATOM 0 H ASN A 32 -8.325 -11.022 -10.048 1.00 0.00 H new ATOM 0 HA ASN A 32 -10.559 -12.681 -10.452 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -8.746 -13.974 -11.875 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.269 -12.378 -12.373 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.139 -10.889 -12.163 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.820 -10.871 -12.708 1.00 0.00 H new ATOM 448 N ASP A 33 -7.879 -14.134 -9.116 1.00 0.00 N ATOM 449 CA ASP A 33 -7.426 -15.241 -8.291 1.00 0.00 C ATOM 450 C ASP A 33 -7.216 -14.751 -6.857 1.00 0.00 C ATOM 451 O ASP A 33 -7.251 -15.541 -5.915 1.00 0.00 O ATOM 452 CB ASP A 33 -6.095 -15.799 -8.800 1.00 0.00 C ATOM 453 CG ASP A 33 -5.983 -17.325 -8.778 1.00 0.00 C ATOM 454 OD1 ASP A 33 -6.843 -17.966 -9.420 1.00 0.00 O ATOM 455 OD2 ASP A 33 -5.040 -17.815 -8.120 1.00 0.00 O ATOM 0 H ASP A 33 -7.135 -13.527 -9.460 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.184 -16.023 -8.331 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.940 -15.453 -9.822 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.289 -15.382 -8.197 1.00 0.00 H new ATOM 460 N SER A 34 -7.002 -13.449 -6.736 1.00 0.00 N ATOM 461 CA SER A 34 -6.786 -12.843 -5.433 1.00 0.00 C ATOM 462 C SER A 34 -8.115 -12.723 -4.685 1.00 0.00 C ATOM 463 O SER A 34 -8.226 -13.149 -3.537 1.00 0.00 O ATOM 464 CB SER A 34 -6.125 -11.470 -5.567 1.00 0.00 C ATOM 465 OG SER A 34 -6.144 -10.747 -4.339 1.00 0.00 O ATOM 0 H SER A 34 -6.974 -12.797 -7.519 1.00 0.00 H new ATOM 0 HA SER A 34 -6.114 -13.485 -4.864 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.094 -11.595 -5.899 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.640 -10.893 -6.336 1.00 0.00 H new ATOM 0 HG SER A 34 -6.284 -11.369 -3.595 1.00 0.00 H new ATOM 471 N GLY A 35 -9.090 -12.141 -5.367 1.00 0.00 N ATOM 472 CA GLY A 35 -10.408 -11.959 -4.782 1.00 0.00 C ATOM 473 C GLY A 35 -10.788 -13.155 -3.907 1.00 0.00 C ATOM 474 O GLY A 35 -11.258 -12.982 -2.783 1.00 0.00 O ATOM 0 H GLY A 35 -8.994 -11.789 -6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.422 -11.047 -4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.147 -11.833 -5.573 1.00 0.00 H new ATOM 478 N SER A 36 -10.572 -14.342 -4.455 1.00 0.00 N ATOM 479 CA SER A 36 -10.886 -15.566 -3.738 1.00 0.00 C ATOM 480 C SER A 36 -10.520 -15.416 -2.260 1.00 0.00 C ATOM 481 O SER A 36 -11.341 -15.679 -1.383 1.00 0.00 O ATOM 482 CB SER A 36 -10.155 -16.764 -4.347 1.00 0.00 C ATOM 483 OG SER A 36 -11.016 -17.561 -5.155 1.00 0.00 O ATOM 0 H SER A 36 -10.183 -14.482 -5.388 1.00 0.00 H new ATOM 0 HA SER A 36 -11.958 -15.747 -3.823 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.318 -16.410 -4.949 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.737 -17.377 -3.549 1.00 0.00 H new ATOM 0 HG SER A 36 -10.511 -18.314 -5.527 1.00 0.00 H new ATOM 489 N ALA A 37 -9.285 -14.993 -2.029 1.00 0.00 N ATOM 490 CA ALA A 37 -8.800 -14.805 -0.672 1.00 0.00 C ATOM 491 C ALA A 37 -9.008 -13.347 -0.259 1.00 0.00 C ATOM 492 O ALA A 37 -9.403 -13.069 0.873 1.00 0.00 O ATOM 493 CB ALA A 37 -7.333 -15.230 -0.591 1.00 0.00 C ATOM 0 H ALA A 37 -8.606 -14.775 -2.759 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.359 -15.429 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.969 -15.089 0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.243 -16.281 -0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.740 -14.623 -1.276 1.00 0.00 H new ATOM 499 N GLY A 38 -8.734 -12.454 -1.198 1.00 0.00 N ATOM 500 CA GLY A 38 -8.887 -11.031 -0.946 1.00 0.00 C ATOM 501 C GLY A 38 -7.648 -10.257 -1.401 1.00 0.00 C ATOM 502 O GLY A 38 -6.707 -10.843 -1.935 1.00 0.00 O ATOM 0 H GLY A 38 -8.407 -12.688 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.766 -10.658 -1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.055 -10.862 0.118 1.00 0.00 H new ATOM 506 N LEU A 39 -7.688 -8.952 -1.175 1.00 0.00 N ATOM 507 CA LEU A 39 -6.580 -8.093 -1.556 1.00 0.00 C ATOM 508 C LEU A 39 -5.261 -8.777 -1.192 1.00 0.00 C ATOM 509 O LEU A 39 -4.510 -9.194 -2.073 1.00 0.00 O ATOM 510 CB LEU A 39 -6.743 -6.703 -0.937 1.00 0.00 C ATOM 511 CG LEU A 39 -7.706 -5.757 -1.656 1.00 0.00 C ATOM 512 CD1 LEU A 39 -7.905 -4.466 -0.860 1.00 0.00 C ATOM 513 CD2 LEU A 39 -7.238 -5.482 -3.087 1.00 0.00 C ATOM 0 H LEU A 39 -8.470 -8.469 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.572 -7.938 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.083 -6.823 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.763 -6.229 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.678 -6.246 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.594 -3.812 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.317 -4.703 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.946 -3.962 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.940 -4.807 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.249 -5.024 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.191 -6.420 -3.641 1.00 0.00 H new ATOM 525 N GLY A 40 -5.018 -8.871 0.107 1.00 0.00 N ATOM 526 CA GLY A 40 -3.802 -9.497 0.598 1.00 0.00 C ATOM 527 C GLY A 40 -2.863 -8.460 1.219 1.00 0.00 C ATOM 528 O GLY A 40 -1.697 -8.751 1.479 1.00 0.00 O ATOM 0 H GLY A 40 -5.643 -8.524 0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.053 -10.256 1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.295 -10.007 -0.221 1.00 0.00 H new ATOM 532 N VAL A 41 -3.407 -7.272 1.437 1.00 0.00 N ATOM 533 CA VAL A 41 -2.633 -6.191 2.022 1.00 0.00 C ATOM 534 C VAL A 41 -3.301 -5.735 3.321 1.00 0.00 C ATOM 535 O VAL A 41 -4.500 -5.937 3.510 1.00 0.00 O ATOM 536 CB VAL A 41 -2.465 -5.059 1.007 1.00 0.00 C ATOM 537 CG1 VAL A 41 -1.365 -5.388 -0.004 1.00 0.00 C ATOM 538 CG2 VAL A 41 -3.787 -4.756 0.299 1.00 0.00 C ATOM 0 H VAL A 41 -4.375 -7.034 1.219 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.630 -6.534 2.276 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.164 -4.164 1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.266 -4.567 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.420 -5.530 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.624 -6.301 -0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.639 -3.948 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.131 -5.647 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.534 -4.457 1.035 1.00 0.00 H new ATOM 548 N SER A 42 -2.497 -5.128 4.181 1.00 0.00 N ATOM 549 CA SER A 42 -2.996 -4.642 5.456 1.00 0.00 C ATOM 550 C SER A 42 -2.893 -3.116 5.511 1.00 0.00 C ATOM 551 O SER A 42 -1.941 -2.536 4.993 1.00 0.00 O ATOM 552 CB SER A 42 -2.229 -5.268 6.623 1.00 0.00 C ATOM 553 OG SER A 42 -2.873 -5.033 7.872 1.00 0.00 O ATOM 0 H SER A 42 -1.504 -4.962 4.020 1.00 0.00 H new ATOM 0 HA SER A 42 -4.043 -4.933 5.547 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.134 -6.342 6.460 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.219 -4.860 6.653 1.00 0.00 H new ATOM 0 HG SER A 42 -2.354 -5.450 8.591 1.00 0.00 H new ATOM 559 N LEU A 43 -3.887 -2.510 6.144 1.00 0.00 N ATOM 560 CA LEU A 43 -3.921 -1.063 6.273 1.00 0.00 C ATOM 561 C LEU A 43 -3.882 -0.687 7.756 1.00 0.00 C ATOM 562 O LEU A 43 -3.997 -1.552 8.623 1.00 0.00 O ATOM 563 CB LEU A 43 -5.123 -0.486 5.523 1.00 0.00 C ATOM 564 CG LEU A 43 -5.472 -1.161 4.195 1.00 0.00 C ATOM 565 CD1 LEU A 43 -6.356 -0.255 3.336 1.00 0.00 C ATOM 566 CD2 LEU A 43 -4.208 -1.599 3.454 1.00 0.00 C ATOM 0 H LEU A 43 -4.675 -2.995 6.573 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.042 -0.618 5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.994 -0.541 6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.934 0.570 5.332 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.047 -2.062 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.590 -0.758 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.280 -0.036 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.829 0.676 3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.484 -2.076 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.586 -0.728 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.652 -2.306 4.070 1.00 0.00 H new ATOM 578 N LYS A 44 -3.720 0.605 8.002 1.00 0.00 N ATOM 579 CA LYS A 44 -3.665 1.106 9.364 1.00 0.00 C ATOM 580 C LYS A 44 -4.612 2.299 9.503 1.00 0.00 C ATOM 581 O LYS A 44 -4.735 3.109 8.585 1.00 0.00 O ATOM 582 CB LYS A 44 -2.221 1.418 9.763 1.00 0.00 C ATOM 583 CG LYS A 44 -1.815 2.819 9.301 1.00 0.00 C ATOM 584 CD LYS A 44 -0.404 2.815 8.711 1.00 0.00 C ATOM 585 CE LYS A 44 0.559 3.618 9.588 1.00 0.00 C ATOM 586 NZ LYS A 44 0.565 3.089 10.971 1.00 0.00 N ATOM 0 H LYS A 44 -3.625 1.320 7.281 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.007 0.343 10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.115 1.343 10.845 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.551 0.678 9.325 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.524 3.179 8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.859 3.510 10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.048 1.789 8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.425 3.237 7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.565 3.572 9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.265 4.667 9.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.469 3.323 11.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.216 3.516 11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.445 2.056 10.948 1.00 0.00 H new ATOM 600 N GLY A 45 -5.258 2.371 10.657 1.00 0.00 N ATOM 601 CA GLY A 45 -6.191 3.451 10.928 1.00 0.00 C ATOM 602 C GLY A 45 -5.568 4.493 11.859 1.00 0.00 C ATOM 603 O GLY A 45 -5.021 4.148 12.905 1.00 0.00 O ATOM 0 H GLY A 45 -5.153 1.698 11.416 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.486 3.925 9.992 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.097 3.049 11.381 1.00 0.00 H new ATOM 607 N ASN A 46 -5.671 5.748 11.444 1.00 0.00 N ATOM 608 CA ASN A 46 -5.125 6.842 12.228 1.00 0.00 C ATOM 609 C ASN A 46 -6.264 7.752 12.690 1.00 0.00 C ATOM 610 O ASN A 46 -7.227 7.969 11.955 1.00 0.00 O ATOM 611 CB ASN A 46 -4.154 7.684 11.397 1.00 0.00 C ATOM 612 CG ASN A 46 -2.773 7.735 12.052 1.00 0.00 C ATOM 613 OD1 ASN A 46 -2.631 7.723 13.263 1.00 0.00 O ATOM 614 ND2 ASN A 46 -1.765 7.792 11.185 1.00 0.00 N ATOM 0 H ASN A 46 -6.124 6.031 10.575 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.595 6.415 13.079 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.070 7.265 10.395 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.546 8.695 11.287 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.803 7.829 11.523 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.954 7.799 10.183 1.00 0.00 H new ATOM 621 N LYS A 47 -6.118 8.261 13.904 1.00 0.00 N ATOM 622 CA LYS A 47 -7.123 9.143 14.473 1.00 0.00 C ATOM 623 C LYS A 47 -6.440 10.385 15.048 1.00 0.00 C ATOM 624 O LYS A 47 -5.312 10.309 15.532 1.00 0.00 O ATOM 625 CB LYS A 47 -7.985 8.389 15.488 1.00 0.00 C ATOM 626 CG LYS A 47 -9.324 9.097 15.704 1.00 0.00 C ATOM 627 CD LYS A 47 -10.495 8.151 15.429 1.00 0.00 C ATOM 628 CE LYS A 47 -11.703 8.508 16.297 1.00 0.00 C ATOM 629 NZ LYS A 47 -11.624 7.819 17.604 1.00 0.00 N ATOM 0 H LYS A 47 -5.318 8.079 14.510 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.810 9.487 13.699 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.160 7.372 15.137 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.453 8.312 16.436 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.383 9.467 16.728 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.391 9.965 15.048 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.771 8.204 14.376 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.191 7.123 15.627 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.742 9.587 16.450 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.623 8.225 15.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.452 8.072 18.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.609 6.790 17.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.756 8.110 18.098 1.00 0.00 H new ATOM 643 N SER A 48 -7.152 11.500 14.975 1.00 0.00 N ATOM 644 CA SER A 48 -6.628 12.757 15.483 1.00 0.00 C ATOM 645 C SER A 48 -7.422 13.196 16.714 1.00 0.00 C ATOM 646 O SER A 48 -8.650 13.260 16.675 1.00 0.00 O ATOM 647 CB SER A 48 -6.670 13.845 14.408 1.00 0.00 C ATOM 648 OG SER A 48 -5.365 14.224 13.980 1.00 0.00 O ATOM 0 H SER A 48 -8.087 11.559 14.572 1.00 0.00 H new ATOM 0 HA SER A 48 -5.587 12.604 15.767 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.242 13.487 13.552 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.192 14.719 14.797 1.00 0.00 H new ATOM 0 HG SER A 48 -5.425 15.023 13.415 1.00 0.00 H new ATOM 654 N ARG A 49 -6.689 13.486 17.779 1.00 0.00 N ATOM 655 CA ARG A 49 -7.310 13.917 19.020 1.00 0.00 C ATOM 656 C ARG A 49 -7.556 15.427 18.994 1.00 0.00 C ATOM 657 O ARG A 49 -8.637 15.890 19.354 1.00 0.00 O ATOM 658 CB ARG A 49 -6.432 13.571 20.224 1.00 0.00 C ATOM 659 CG ARG A 49 -7.250 12.883 21.319 1.00 0.00 C ATOM 660 CD ARG A 49 -6.551 12.992 22.676 1.00 0.00 C ATOM 661 NE ARG A 49 -7.225 12.120 23.664 1.00 0.00 N ATOM 662 CZ ARG A 49 -6.785 11.922 24.914 1.00 0.00 C ATOM 663 NH1 ARG A 49 -5.670 12.532 25.337 1.00 0.00 N ATOM 664 NH2 ARG A 49 -7.462 11.113 25.742 1.00 0.00 N ATOM 0 H ARG A 49 -5.671 13.431 17.808 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.261 13.392 19.115 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.618 12.919 19.909 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.978 14.479 20.621 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.239 13.337 21.378 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.395 11.833 21.064 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.504 12.704 22.579 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.567 14.026 23.021 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.077 11.640 23.375 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.155 13.148 24.707 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.336 12.381 26.289 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.311 10.649 25.420 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.128 10.962 26.694 1.00 0.00 H new ATOM 678 N GLU A 50 -6.535 16.154 18.564 1.00 0.00 N ATOM 679 CA GLU A 50 -6.626 17.602 18.486 1.00 0.00 C ATOM 680 C GLU A 50 -7.925 18.015 17.791 1.00 0.00 C ATOM 681 O GLU A 50 -8.831 18.552 18.427 1.00 0.00 O ATOM 682 CB GLU A 50 -5.410 18.191 17.770 1.00 0.00 C ATOM 683 CG GLU A 50 -4.418 18.785 18.772 1.00 0.00 C ATOM 684 CD GLU A 50 -4.880 20.162 19.250 1.00 0.00 C ATOM 685 OE1 GLU A 50 -5.328 20.943 18.383 1.00 0.00 O ATOM 686 OE2 GLU A 50 -4.775 20.404 20.472 1.00 0.00 O ATOM 0 H GLU A 50 -5.640 15.767 18.266 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.636 18.001 19.500 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.919 17.415 17.183 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.733 18.963 17.072 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.314 18.116 19.626 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.434 18.868 18.310 1.00 0.00 H new ATOM 693 N THR A 51 -7.975 17.748 16.494 1.00 0.00 N ATOM 694 CA THR A 51 -9.148 18.085 15.705 1.00 0.00 C ATOM 695 C THR A 51 -10.364 17.297 16.194 1.00 0.00 C ATOM 696 O THR A 51 -11.460 17.845 16.306 1.00 0.00 O ATOM 697 CB THR A 51 -8.815 17.837 14.233 1.00 0.00 C ATOM 698 OG1 THR A 51 -8.393 16.476 14.197 1.00 0.00 O ATOM 699 CG2 THR A 51 -7.585 18.621 13.770 1.00 0.00 C ATOM 0 H THR A 51 -7.222 17.302 15.970 1.00 0.00 H new ATOM 0 HA THR A 51 -9.413 19.136 15.820 1.00 0.00 H new ATOM 0 HB THR A 51 -9.672 18.109 13.617 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.159 16.230 13.278 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.393 18.409 12.718 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.765 19.688 13.898 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.720 18.325 14.364 1.00 0.00 H new ATOM 707 N GLY A 52 -10.131 16.023 16.474 1.00 0.00 N ATOM 708 CA GLY A 52 -11.194 15.154 16.949 1.00 0.00 C ATOM 709 C GLY A 52 -11.954 14.527 15.778 1.00 0.00 C ATOM 710 O GLY A 52 -13.184 14.530 15.760 1.00 0.00 O ATOM 0 H GLY A 52 -9.221 15.572 16.381 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.773 14.368 17.577 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.884 15.724 17.571 1.00 0.00 H new ATOM 714 N THR A 53 -11.190 14.006 14.829 1.00 0.00 N ATOM 715 CA THR A 53 -11.776 13.377 13.658 1.00 0.00 C ATOM 716 C THR A 53 -10.944 12.166 13.230 1.00 0.00 C ATOM 717 O THR A 53 -9.841 11.957 13.733 1.00 0.00 O ATOM 718 CB THR A 53 -11.906 14.441 12.566 1.00 0.00 C ATOM 719 OG1 THR A 53 -12.874 15.351 13.081 1.00 0.00 O ATOM 720 CG2 THR A 53 -12.550 13.894 11.290 1.00 0.00 C ATOM 0 H THR A 53 -10.170 14.007 14.847 1.00 0.00 H new ATOM 0 HA THR A 53 -12.771 12.988 13.874 1.00 0.00 H new ATOM 0 HB THR A 53 -10.920 14.843 12.332 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.018 16.075 12.436 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.619 14.689 10.548 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.941 13.080 10.895 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.549 13.522 11.517 1.00 0.00 H new ATOM 728 N ASP A 54 -11.505 11.400 12.307 1.00 0.00 N ATOM 729 CA ASP A 54 -10.829 10.215 11.806 1.00 0.00 C ATOM 730 C ASP A 54 -10.088 10.564 10.513 1.00 0.00 C ATOM 731 O ASP A 54 -10.688 10.604 9.441 1.00 0.00 O ATOM 732 CB ASP A 54 -11.830 9.102 11.491 1.00 0.00 C ATOM 733 CG ASP A 54 -13.157 9.575 10.893 1.00 0.00 C ATOM 734 OD1 ASP A 54 -14.031 9.970 11.694 1.00 0.00 O ATOM 735 OD2 ASP A 54 -13.266 9.530 9.649 1.00 0.00 O ATOM 0 H ASP A 54 -12.420 11.576 11.893 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.137 9.871 12.575 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.365 8.402 10.797 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.038 8.551 12.408 1.00 0.00 H new ATOM 740 N LEU A 55 -8.794 10.808 10.659 1.00 0.00 N ATOM 741 CA LEU A 55 -7.964 11.152 9.516 1.00 0.00 C ATOM 742 C LEU A 55 -8.364 10.284 8.321 1.00 0.00 C ATOM 743 O LEU A 55 -8.386 10.757 7.186 1.00 0.00 O ATOM 744 CB LEU A 55 -6.482 11.052 9.881 1.00 0.00 C ATOM 745 CG LEU A 55 -6.012 11.946 11.030 1.00 0.00 C ATOM 746 CD1 LEU A 55 -4.563 11.634 11.410 1.00 0.00 C ATOM 747 CD2 LEU A 55 -6.210 13.425 10.691 1.00 0.00 C ATOM 0 H LEU A 55 -8.300 10.774 11.551 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.127 12.190 9.225 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.261 10.016 10.139 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.893 11.292 8.996 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.628 11.731 11.904 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.254 12.283 12.229 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.485 10.593 11.723 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.917 11.803 10.549 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.868 14.038 11.525 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.636 13.674 9.798 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.267 13.618 10.508 1.00 0.00 H new ATOM 759 N GLY A 56 -8.669 9.029 8.618 1.00 0.00 N ATOM 760 CA GLY A 56 -9.067 8.091 7.582 1.00 0.00 C ATOM 761 C GLY A 56 -8.286 6.781 7.701 1.00 0.00 C ATOM 762 O GLY A 56 -7.902 6.379 8.798 1.00 0.00 O ATOM 0 H GLY A 56 -8.649 8.640 9.561 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.136 7.890 7.659 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.896 8.533 6.601 1.00 0.00 H new ATOM 766 N ILE A 57 -8.073 6.150 6.555 1.00 0.00 N ATOM 767 CA ILE A 57 -7.344 4.894 6.516 1.00 0.00 C ATOM 768 C ILE A 57 -6.057 5.080 5.711 1.00 0.00 C ATOM 769 O ILE A 57 -6.023 5.859 4.760 1.00 0.00 O ATOM 770 CB ILE A 57 -8.241 3.771 5.991 1.00 0.00 C ATOM 771 CG1 ILE A 57 -9.572 3.734 6.744 1.00 0.00 C ATOM 772 CG2 ILE A 57 -7.518 2.423 6.040 1.00 0.00 C ATOM 773 CD1 ILE A 57 -9.359 3.385 8.218 1.00 0.00 C ATOM 0 H ILE A 57 -8.393 6.486 5.646 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.050 4.593 7.521 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.468 3.977 4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.066 4.702 6.664 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.233 2.999 6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.178 1.642 5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.620 2.469 5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.241 2.196 7.069 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.321 3.365 8.730 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.887 2.406 8.295 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.717 4.135 8.680 1.00 0.00 H new ATOM 785 N PHE A 58 -5.029 4.352 6.122 1.00 0.00 N ATOM 786 CA PHE A 58 -3.743 4.427 5.450 1.00 0.00 C ATOM 787 C PHE A 58 -3.143 3.033 5.256 1.00 0.00 C ATOM 788 O PHE A 58 -3.194 2.200 6.160 1.00 0.00 O ATOM 789 CB PHE A 58 -2.816 5.248 6.349 1.00 0.00 C ATOM 790 CG PHE A 58 -3.319 6.664 6.634 1.00 0.00 C ATOM 791 CD1 PHE A 58 -4.451 6.850 7.365 1.00 0.00 C ATOM 792 CD2 PHE A 58 -2.634 7.738 6.156 1.00 0.00 C ATOM 793 CE1 PHE A 58 -4.918 8.165 7.628 1.00 0.00 C ATOM 794 CE2 PHE A 58 -3.101 9.053 6.419 1.00 0.00 C ATOM 795 CZ PHE A 58 -4.233 9.239 7.150 1.00 0.00 C ATOM 0 H PHE A 58 -5.061 3.707 6.912 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.863 4.881 4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.685 4.723 7.295 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.834 5.310 5.881 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.994 5.998 7.745 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.735 7.590 5.576 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.817 8.313 8.208 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.558 9.905 6.039 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.588 10.239 7.351 1.00 0.00 H new ATOM 805 N ILE A 59 -2.588 2.822 4.072 1.00 0.00 N ATOM 806 CA ILE A 59 -1.979 1.543 3.748 1.00 0.00 C ATOM 807 C ILE A 59 -0.881 1.233 4.768 1.00 0.00 C ATOM 808 O ILE A 59 -0.213 2.141 5.261 1.00 0.00 O ATOM 809 CB ILE A 59 -1.492 1.533 2.298 1.00 0.00 C ATOM 810 CG1 ILE A 59 -2.636 1.851 1.333 1.00 0.00 C ATOM 811 CG2 ILE A 59 -0.807 0.208 1.958 1.00 0.00 C ATOM 812 CD1 ILE A 59 -2.168 1.759 -0.121 1.00 0.00 C ATOM 0 H ILE A 59 -2.547 3.515 3.325 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.715 0.742 3.818 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.746 2.319 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.460 1.157 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.018 2.852 1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.471 0.228 0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.050 0.063 2.615 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.512 -0.612 2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.000 1.990 -0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.361 2.472 -0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.809 0.750 -0.325 1.00 0.00 H new ATOM 824 N LYS A 60 -0.728 -0.052 5.053 1.00 0.00 N ATOM 825 CA LYS A 60 0.277 -0.493 6.005 1.00 0.00 C ATOM 826 C LYS A 60 1.538 -0.916 5.249 1.00 0.00 C ATOM 827 O LYS A 60 2.626 -0.409 5.517 1.00 0.00 O ATOM 828 CB LYS A 60 -0.289 -1.584 6.915 1.00 0.00 C ATOM 829 CG LYS A 60 0.165 -1.381 8.362 1.00 0.00 C ATOM 830 CD LYS A 60 -0.614 -2.291 9.314 1.00 0.00 C ATOM 831 CE LYS A 60 0.271 -3.426 9.835 1.00 0.00 C ATOM 832 NZ LYS A 60 -0.145 -3.824 11.198 1.00 0.00 N ATOM 0 H LYS A 60 -1.283 -0.802 4.641 1.00 0.00 H new ATOM 0 HA LYS A 60 0.560 0.326 6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.378 -1.574 6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.037 -2.562 6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.232 -1.590 8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.021 -0.339 8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.993 -1.707 10.152 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.479 -2.707 8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.206 -4.283 9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.313 -3.107 9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.466 -4.595 11.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.061 -3.009 11.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.133 -4.148 11.179 1.00 0.00 H new ATOM 846 N SER A 61 1.350 -1.840 4.319 1.00 0.00 N ATOM 847 CA SER A 61 2.459 -2.337 3.522 1.00 0.00 C ATOM 848 C SER A 61 1.960 -3.389 2.529 1.00 0.00 C ATOM 849 O SER A 61 1.014 -4.121 2.817 1.00 0.00 O ATOM 850 CB SER A 61 3.556 -2.926 4.412 1.00 0.00 C ATOM 851 OG SER A 61 4.086 -4.135 3.876 1.00 0.00 O ATOM 0 H SER A 61 0.446 -2.258 4.099 1.00 0.00 H new ATOM 0 HA SER A 61 2.886 -1.499 2.970 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.359 -2.198 4.528 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.153 -3.116 5.407 1.00 0.00 H new ATOM 0 HG SER A 61 4.784 -4.479 4.472 1.00 0.00 H new ATOM 857 N ILE A 62 2.618 -3.431 1.380 1.00 0.00 N ATOM 858 CA ILE A 62 2.253 -4.381 0.343 1.00 0.00 C ATOM 859 C ILE A 62 3.008 -5.693 0.570 1.00 0.00 C ATOM 860 O ILE A 62 4.206 -5.683 0.849 1.00 0.00 O ATOM 861 CB ILE A 62 2.479 -3.774 -1.043 1.00 0.00 C ATOM 862 CG1 ILE A 62 1.840 -2.388 -1.145 1.00 0.00 C ATOM 863 CG2 ILE A 62 1.983 -4.716 -2.142 1.00 0.00 C ATOM 864 CD1 ILE A 62 2.908 -1.293 -1.176 1.00 0.00 C ATOM 0 H ILE A 62 3.402 -2.822 1.144 1.00 0.00 H new ATOM 0 HA ILE A 62 1.189 -4.612 0.395 1.00 0.00 H new ATOM 0 HB ILE A 62 3.552 -3.646 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.229 -2.331 -2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.174 -2.227 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.156 -4.260 -3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.523 -5.661 -2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.916 -4.899 -2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.427 -0.318 -1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.502 -1.338 -0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.557 -1.443 -2.039 1.00 0.00 H new ATOM 876 N ILE A 63 2.276 -6.790 0.442 1.00 0.00 N ATOM 877 CA ILE A 63 2.861 -8.106 0.630 1.00 0.00 C ATOM 878 C ILE A 63 3.327 -8.650 -0.722 1.00 0.00 C ATOM 879 O ILE A 63 2.530 -9.201 -1.481 1.00 0.00 O ATOM 880 CB ILE A 63 1.883 -9.028 1.360 1.00 0.00 C ATOM 881 CG1 ILE A 63 1.662 -8.563 2.801 1.00 0.00 C ATOM 882 CG2 ILE A 63 2.348 -10.484 1.293 1.00 0.00 C ATOM 883 CD1 ILE A 63 0.658 -7.409 2.857 1.00 0.00 C ATOM 0 H ILE A 63 1.283 -6.794 0.210 1.00 0.00 H new ATOM 0 HA ILE A 63 3.741 -8.044 1.270 1.00 0.00 H new ATOM 0 HB ILE A 63 0.920 -8.974 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.299 -9.395 3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.611 -8.246 3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.635 -11.118 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.412 -10.798 0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.329 -10.575 1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.519 -7.098 3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.036 -6.570 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.297 -7.737 2.446 1.00 0.00 H new ATOM 895 N HIS A 64 4.614 -8.477 -0.982 1.00 0.00 N ATOM 896 CA HIS A 64 5.195 -8.944 -2.229 1.00 0.00 C ATOM 897 C HIS A 64 4.892 -10.433 -2.411 1.00 0.00 C ATOM 898 O HIS A 64 4.454 -11.100 -1.475 1.00 0.00 O ATOM 899 CB HIS A 64 6.692 -8.633 -2.281 1.00 0.00 C ATOM 900 CG HIS A 64 7.514 -9.685 -2.988 1.00 0.00 C ATOM 901 ND1 HIS A 64 8.129 -9.461 -4.208 1.00 0.00 N ATOM 902 CD2 HIS A 64 7.816 -10.967 -2.634 1.00 0.00 C ATOM 903 CE1 HIS A 64 8.768 -10.566 -4.562 1.00 0.00 C ATOM 904 NE2 HIS A 64 8.573 -11.498 -3.586 1.00 0.00 N ATOM 0 H HIS A 64 5.271 -8.020 -0.350 1.00 0.00 H new ATOM 0 HA HIS A 64 4.743 -8.412 -3.066 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.837 -7.676 -2.782 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.065 -8.519 -1.263 1.00 0.00 H new ATOM 0 HD1 HIS A 64 8.096 -8.593 -4.743 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.494 -11.466 -1.732 1.00 0.00 H new ATOM 0 HE1 HIS A 64 9.343 -10.705 -5.466 1.00 0.00 H new ATOM 912 N GLY A 65 5.138 -10.910 -3.622 1.00 0.00 N ATOM 913 CA GLY A 65 4.897 -12.308 -3.939 1.00 0.00 C ATOM 914 C GLY A 65 3.402 -12.630 -3.897 1.00 0.00 C ATOM 915 O GLY A 65 3.016 -13.792 -3.784 1.00 0.00 O ATOM 0 H GLY A 65 5.502 -10.354 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.294 -12.534 -4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.429 -12.942 -3.230 1.00 0.00 H new ATOM 919 N GLY A 66 2.600 -11.579 -3.991 1.00 0.00 N ATOM 920 CA GLY A 66 1.156 -11.735 -3.965 1.00 0.00 C ATOM 921 C GLY A 66 0.508 -11.040 -5.165 1.00 0.00 C ATOM 922 O GLY A 66 1.149 -10.851 -6.197 1.00 0.00 O ATOM 0 H GLY A 66 2.923 -10.616 -4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.901 -12.795 -3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.758 -11.318 -3.040 1.00 0.00 H new ATOM 926 N ALA A 67 -0.755 -10.679 -4.988 1.00 0.00 N ATOM 927 CA ALA A 67 -1.496 -10.009 -6.043 1.00 0.00 C ATOM 928 C ALA A 67 -1.235 -8.504 -5.967 1.00 0.00 C ATOM 929 O ALA A 67 -0.898 -7.877 -6.970 1.00 0.00 O ATOM 930 CB ALA A 67 -2.982 -10.351 -5.918 1.00 0.00 C ATOM 0 H ALA A 67 -1.283 -10.838 -4.130 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.164 -10.351 -7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.539 -9.849 -6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.116 -11.429 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.351 -10.019 -4.948 1.00 0.00 H new ATOM 936 N ALA A 68 -1.401 -7.967 -4.767 1.00 0.00 N ATOM 937 CA ALA A 68 -1.188 -6.546 -4.547 1.00 0.00 C ATOM 938 C ALA A 68 0.234 -6.176 -4.974 1.00 0.00 C ATOM 939 O ALA A 68 0.474 -5.069 -5.453 1.00 0.00 O ATOM 940 CB ALA A 68 -1.463 -6.210 -3.080 1.00 0.00 C ATOM 0 H ALA A 68 -1.680 -8.490 -3.937 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.877 -5.956 -5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.303 -5.145 -2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.494 -6.465 -2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.788 -6.781 -2.443 1.00 0.00 H new ATOM 946 N PHE A 69 1.140 -7.125 -4.784 1.00 0.00 N ATOM 947 CA PHE A 69 2.532 -6.912 -5.142 1.00 0.00 C ATOM 948 C PHE A 69 2.647 -6.107 -6.438 1.00 0.00 C ATOM 949 O PHE A 69 3.501 -5.229 -6.553 1.00 0.00 O ATOM 950 CB PHE A 69 3.154 -8.294 -5.357 1.00 0.00 C ATOM 951 CG PHE A 69 4.474 -8.268 -6.129 1.00 0.00 C ATOM 952 CD1 PHE A 69 5.554 -7.625 -5.609 1.00 0.00 C ATOM 953 CD2 PHE A 69 4.569 -8.889 -7.336 1.00 0.00 C ATOM 954 CE1 PHE A 69 6.780 -7.601 -6.326 1.00 0.00 C ATOM 955 CE2 PHE A 69 5.794 -8.865 -8.053 1.00 0.00 C ATOM 956 CZ PHE A 69 6.874 -8.222 -7.533 1.00 0.00 C ATOM 0 H PHE A 69 0.937 -8.042 -4.387 1.00 0.00 H new ATOM 0 HA PHE A 69 3.039 -6.355 -4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.322 -8.761 -4.386 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.443 -8.922 -5.894 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.479 -7.133 -4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.712 -9.400 -7.749 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.637 -7.090 -5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.868 -9.357 -9.011 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.806 -8.204 -8.078 1.00 0.00 H new ATOM 966 N LYS A 70 1.776 -6.435 -7.381 1.00 0.00 N ATOM 967 CA LYS A 70 1.770 -5.753 -8.664 1.00 0.00 C ATOM 968 C LYS A 70 1.665 -4.244 -8.434 1.00 0.00 C ATOM 969 O LYS A 70 2.448 -3.472 -8.985 1.00 0.00 O ATOM 970 CB LYS A 70 0.669 -6.316 -9.564 1.00 0.00 C ATOM 971 CG LYS A 70 0.962 -7.768 -9.947 1.00 0.00 C ATOM 972 CD LYS A 70 -0.281 -8.443 -10.530 1.00 0.00 C ATOM 973 CE LYS A 70 0.090 -9.357 -11.700 1.00 0.00 C ATOM 974 NZ LYS A 70 -0.313 -10.752 -11.416 1.00 0.00 N ATOM 0 H LYS A 70 1.070 -7.164 -7.282 1.00 0.00 H new ATOM 0 HA LYS A 70 2.705 -5.930 -9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.291 -6.258 -9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.585 -5.708 -10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.772 -7.799 -10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.301 -8.318 -9.069 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.782 -9.023 -9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.987 -7.684 -10.866 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.399 -9.009 -12.610 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.164 -9.312 -11.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.054 -11.359 -12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.173 -11.086 -10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.342 -10.793 -11.269 1.00 0.00 H new ATOM 988 N ASP A 71 0.690 -3.868 -7.619 1.00 0.00 N ATOM 989 CA ASP A 71 0.472 -2.465 -7.309 1.00 0.00 C ATOM 990 C ASP A 71 1.443 -2.034 -6.208 1.00 0.00 C ATOM 991 O ASP A 71 1.607 -0.842 -5.952 1.00 0.00 O ATOM 992 CB ASP A 71 -0.952 -2.228 -6.804 1.00 0.00 C ATOM 993 CG ASP A 71 -1.335 -0.758 -6.617 1.00 0.00 C ATOM 994 OD1 ASP A 71 -0.874 0.058 -7.444 1.00 0.00 O ATOM 995 OD2 ASP A 71 -2.081 -0.484 -5.652 1.00 0.00 O ATOM 0 H ASP A 71 0.042 -4.511 -7.164 1.00 0.00 H new ATOM 0 HA ASP A 71 0.632 -1.889 -8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.651 -2.684 -7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.074 -2.744 -5.852 1.00 0.00 H new ATOM 1000 N GLY A 72 2.061 -3.027 -5.586 1.00 0.00 N ATOM 1001 CA GLY A 72 3.011 -2.765 -4.518 1.00 0.00 C ATOM 1002 C GLY A 72 3.849 -1.522 -4.822 1.00 0.00 C ATOM 1003 O GLY A 72 4.294 -0.830 -3.908 1.00 0.00 O ATOM 0 H GLY A 72 1.923 -4.014 -5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.477 -2.627 -3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.666 -3.627 -4.389 1.00 0.00 H new ATOM 1007 N ARG A 73 4.040 -1.277 -6.110 1.00 0.00 N ATOM 1008 CA ARG A 73 4.817 -0.129 -6.547 1.00 0.00 C ATOM 1009 C ARG A 73 4.556 1.068 -5.630 1.00 0.00 C ATOM 1010 O ARG A 73 5.441 1.896 -5.419 1.00 0.00 O ATOM 1011 CB ARG A 73 4.470 0.255 -7.987 1.00 0.00 C ATOM 1012 CG ARG A 73 2.959 0.417 -8.162 1.00 0.00 C ATOM 1013 CD ARG A 73 2.641 1.463 -9.233 1.00 0.00 C ATOM 1014 NE ARG A 73 2.076 0.804 -10.432 1.00 0.00 N ATOM 1015 CZ ARG A 73 2.816 0.280 -11.420 1.00 0.00 C ATOM 1016 NH1 ARG A 73 4.153 0.336 -11.357 1.00 0.00 N ATOM 1017 NH2 ARG A 73 2.217 -0.299 -12.470 1.00 0.00 N ATOM 0 H ARG A 73 3.670 -1.854 -6.865 1.00 0.00 H new ATOM 0 HA ARG A 73 5.871 -0.404 -6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.972 1.186 -8.250 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.839 -0.510 -8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.517 -0.540 -8.440 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.509 0.713 -7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.933 2.193 -8.841 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.546 2.009 -9.500 1.00 0.00 H new ATOM 0 HE ARG A 73 1.061 0.745 -10.512 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.608 0.777 -10.558 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.716 -0.063 -12.108 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.199 -0.341 -12.517 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.779 -0.698 -13.222 1.00 0.00 H new ATOM 1031 N LEU A 74 3.339 1.120 -5.110 1.00 0.00 N ATOM 1032 CA LEU A 74 2.951 2.202 -4.221 1.00 0.00 C ATOM 1033 C LEU A 74 3.747 2.096 -2.919 1.00 0.00 C ATOM 1034 O LEU A 74 4.659 1.278 -2.809 1.00 0.00 O ATOM 1035 CB LEU A 74 1.435 2.210 -4.016 1.00 0.00 C ATOM 1036 CG LEU A 74 0.610 2.845 -5.138 1.00 0.00 C ATOM 1037 CD1 LEU A 74 -0.860 2.434 -5.037 1.00 0.00 C ATOM 1038 CD2 LEU A 74 0.781 4.365 -5.152 1.00 0.00 C ATOM 0 H LEU A 74 2.608 0.431 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 74 3.194 3.167 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.101 1.181 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.217 2.738 -3.088 1.00 0.00 H new ATOM 0 HG LEU A 74 0.984 2.471 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.424 2.899 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.941 1.350 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.264 2.760 -4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.184 4.791 -5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.450 4.777 -4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.831 4.612 -5.308 1.00 0.00 H new ATOM 1050 N ARG A 75 3.372 2.935 -1.964 1.00 0.00 N ATOM 1051 CA ARG A 75 4.040 2.945 -0.673 1.00 0.00 C ATOM 1052 C ARG A 75 3.015 3.094 0.453 1.00 0.00 C ATOM 1053 O ARG A 75 2.066 3.868 0.336 1.00 0.00 O ATOM 1054 CB ARG A 75 5.052 4.089 -0.586 1.00 0.00 C ATOM 1055 CG ARG A 75 4.358 5.447 -0.709 1.00 0.00 C ATOM 1056 CD ARG A 75 3.841 5.672 -2.131 1.00 0.00 C ATOM 1057 NE ARG A 75 4.199 7.033 -2.590 1.00 0.00 N ATOM 1058 CZ ARG A 75 3.998 7.483 -3.836 1.00 0.00 C ATOM 1059 NH1 ARG A 75 3.441 6.683 -4.755 1.00 0.00 N ATOM 1060 NH2 ARG A 75 4.354 8.733 -4.163 1.00 0.00 N ATOM 0 H ARG A 75 2.615 3.612 -2.058 1.00 0.00 H new ATOM 0 HA ARG A 75 4.569 1.998 -0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.587 4.035 0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.794 3.983 -1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.528 5.501 -0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.055 6.241 -0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.268 4.928 -2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.759 5.543 -2.158 1.00 0.00 H new ATOM 0 HE ARG A 75 4.625 7.668 -1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.170 5.732 -4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.288 7.025 -5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.778 9.342 -3.463 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.201 9.075 -5.112 1.00 0.00 H new ATOM 1074 N MET A 76 3.241 2.339 1.519 1.00 0.00 N ATOM 1075 CA MET A 76 2.349 2.377 2.665 1.00 0.00 C ATOM 1076 C MET A 76 2.035 3.819 3.069 1.00 0.00 C ATOM 1077 O MET A 76 2.588 4.760 2.501 1.00 0.00 O ATOM 1078 CB MET A 76 2.999 1.647 3.842 1.00 0.00 C ATOM 1079 CG MET A 76 4.376 2.233 4.158 1.00 0.00 C ATOM 1080 SD MET A 76 5.656 1.116 3.609 1.00 0.00 S ATOM 1081 CE MET A 76 7.095 2.139 3.873 1.00 0.00 C ATOM 0 H MET A 76 4.029 1.698 1.613 1.00 0.00 H new ATOM 0 HA MET A 76 1.416 1.885 2.391 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.358 1.722 4.720 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.096 0.587 3.608 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.490 3.199 3.667 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.469 2.407 5.230 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.990 1.591 3.579 1.00 0.00 H new ATOM 0 HE2 MET A 76 7.012 3.046 3.274 1.00 0.00 H new ATOM 0 HE3 MET A 76 7.163 2.406 4.928 1.00 0.00 H new ATOM 1091 N ASN A 77 1.150 3.947 4.046 1.00 0.00 N ATOM 1092 CA ASN A 77 0.756 5.259 4.532 1.00 0.00 C ATOM 1093 C ASN A 77 0.109 6.047 3.392 1.00 0.00 C ATOM 1094 O ASN A 77 0.245 7.268 3.320 1.00 0.00 O ATOM 1095 CB ASN A 77 1.969 6.050 5.025 1.00 0.00 C ATOM 1096 CG ASN A 77 2.275 5.730 6.489 1.00 0.00 C ATOM 1097 OD1 ASN A 77 1.962 6.484 7.395 1.00 0.00 O ATOM 1098 ND2 ASN A 77 2.903 4.571 6.669 1.00 0.00 N ATOM 0 H ASN A 77 0.694 3.164 4.515 1.00 0.00 H new ATOM 0 HA ASN A 77 0.058 5.118 5.357 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.836 5.814 4.409 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.781 7.118 4.914 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.152 4.266 7.610 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.136 3.987 5.866 1.00 0.00 H new ATOM 1105 N ASP A 78 -0.583 5.318 2.528 1.00 0.00 N ATOM 1106 CA ASP A 78 -1.252 5.933 1.395 1.00 0.00 C ATOM 1107 C ASP A 78 -2.737 6.108 1.719 1.00 0.00 C ATOM 1108 O ASP A 78 -3.537 5.203 1.484 1.00 0.00 O ATOM 1109 CB ASP A 78 -1.139 5.057 0.146 1.00 0.00 C ATOM 1110 CG ASP A 78 0.130 5.270 -0.681 1.00 0.00 C ATOM 1111 OD1 ASP A 78 0.807 6.290 -0.429 1.00 0.00 O ATOM 1112 OD2 ASP A 78 0.394 4.408 -1.547 1.00 0.00 O ATOM 0 H ASP A 78 -0.694 4.306 2.591 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.776 6.895 1.204 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.186 4.011 0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -2.004 5.244 -0.490 1.00 0.00 H new ATOM 1117 N GLN A 79 -3.061 7.276 2.252 1.00 0.00 N ATOM 1118 CA GLN A 79 -4.436 7.581 2.610 1.00 0.00 C ATOM 1119 C GLN A 79 -5.381 7.172 1.479 1.00 0.00 C ATOM 1120 O GLN A 79 -5.140 7.494 0.316 1.00 0.00 O ATOM 1121 CB GLN A 79 -4.598 9.063 2.952 1.00 0.00 C ATOM 1122 CG GLN A 79 -5.842 9.294 3.813 1.00 0.00 C ATOM 1123 CD GLN A 79 -6.084 10.788 4.036 1.00 0.00 C ATOM 1124 OE1 GLN A 79 -5.300 11.636 3.644 1.00 0.00 O ATOM 1125 NE2 GLN A 79 -7.212 11.062 4.686 1.00 0.00 N ATOM 0 H GLN A 79 -2.395 8.024 2.445 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.696 7.007 3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.714 9.416 3.482 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.673 9.646 2.034 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.711 8.849 3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.722 8.794 4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.824 10.304 4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.464 12.030 4.884 1.00 0.00 H new ATOM 1134 N LEU A 80 -6.439 6.470 1.859 1.00 0.00 N ATOM 1135 CA LEU A 80 -7.422 6.014 0.891 1.00 0.00 C ATOM 1136 C LEU A 80 -8.533 7.058 0.769 1.00 0.00 C ATOM 1137 O LEU A 80 -9.295 7.272 1.712 1.00 0.00 O ATOM 1138 CB LEU A 80 -7.927 4.617 1.257 1.00 0.00 C ATOM 1139 CG LEU A 80 -6.878 3.504 1.262 1.00 0.00 C ATOM 1140 CD1 LEU A 80 -6.063 3.523 2.557 1.00 0.00 C ATOM 1141 CD2 LEU A 80 -7.524 2.140 1.011 1.00 0.00 C ATOM 0 H LEU A 80 -6.637 6.206 2.824 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.968 5.915 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.382 4.665 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.716 4.342 0.556 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.183 3.687 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.325 2.721 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.554 4.482 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.729 3.379 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.756 1.367 1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.255 1.934 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.022 2.146 0.041 1.00 0.00 H new ATOM 1153 N ILE A 81 -8.592 7.681 -0.399 1.00 0.00 N ATOM 1154 CA ILE A 81 -9.598 8.697 -0.656 1.00 0.00 C ATOM 1155 C ILE A 81 -10.769 8.069 -1.414 1.00 0.00 C ATOM 1156 O ILE A 81 -11.633 8.779 -1.927 1.00 0.00 O ATOM 1157 CB ILE A 81 -8.975 9.898 -1.370 1.00 0.00 C ATOM 1158 CG1 ILE A 81 -8.659 9.565 -2.830 1.00 0.00 C ATOM 1159 CG2 ILE A 81 -7.743 10.406 -0.618 1.00 0.00 C ATOM 1160 CD1 ILE A 81 -8.487 10.839 -3.658 1.00 0.00 C ATOM 0 H ILE A 81 -7.959 7.501 -1.178 1.00 0.00 H new ATOM 0 HA ILE A 81 -9.997 9.085 0.281 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.705 10.708 -1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.749 8.968 -2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.462 8.959 -3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.320 11.260 -1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.031 10.709 0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.999 9.611 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.263 10.574 -4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.407 11.422 -3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.668 11.431 -3.250 1.00 0.00 H new ATOM 1172 N ALA A 82 -10.760 6.745 -1.462 1.00 0.00 N ATOM 1173 CA ALA A 82 -11.810 6.014 -2.149 1.00 0.00 C ATOM 1174 C ALA A 82 -11.333 4.588 -2.431 1.00 0.00 C ATOM 1175 O ALA A 82 -10.193 4.240 -2.126 1.00 0.00 O ATOM 1176 CB ALA A 82 -12.201 6.761 -3.426 1.00 0.00 C ATOM 0 H ALA A 82 -10.042 6.160 -1.036 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.701 5.946 -1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.989 6.212 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.561 7.757 -3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.332 6.846 -4.078 1.00 0.00 H new ATOM 1182 N VAL A 83 -12.229 3.802 -3.010 1.00 0.00 N ATOM 1183 CA VAL A 83 -11.913 2.421 -3.336 1.00 0.00 C ATOM 1184 C VAL A 83 -12.976 1.871 -4.289 1.00 0.00 C ATOM 1185 O VAL A 83 -14.142 1.747 -3.918 1.00 0.00 O ATOM 1186 CB VAL A 83 -11.776 1.599 -2.054 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -12.980 1.812 -1.134 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -11.585 0.114 -2.372 1.00 0.00 C ATOM 0 H VAL A 83 -13.173 4.095 -3.262 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.953 2.359 -3.849 1.00 0.00 H new ATOM 0 HB VAL A 83 -10.887 1.946 -1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.857 1.216 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.052 2.866 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.890 1.506 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.490 -0.448 -1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.446 -0.252 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.682 -0.017 -2.969 1.00 0.00 H new ATOM 1198 N ASN A 84 -12.536 1.556 -5.498 1.00 0.00 N ATOM 1199 CA ASN A 84 -13.435 1.022 -6.507 1.00 0.00 C ATOM 1200 C ASN A 84 -14.444 2.100 -6.907 1.00 0.00 C ATOM 1201 O ASN A 84 -15.422 1.815 -7.596 1.00 0.00 O ATOM 1202 CB ASN A 84 -14.215 -0.179 -5.968 1.00 0.00 C ATOM 1203 CG ASN A 84 -13.886 -1.446 -6.760 1.00 0.00 C ATOM 1204 OD1 ASN A 84 -13.947 -1.482 -7.978 1.00 0.00 O ATOM 1205 ND2 ASN A 84 -13.536 -2.481 -6.002 1.00 0.00 N ATOM 0 H ASN A 84 -11.568 1.660 -5.802 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.835 0.709 -7.362 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.975 -0.331 -4.916 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.285 0.022 -6.025 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.298 -3.373 -6.435 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.505 -2.383 -4.987 1.00 0.00 H new ATOM 1212 N GLY A 85 -14.171 3.317 -6.458 1.00 0.00 N ATOM 1213 CA GLY A 85 -15.043 4.439 -6.760 1.00 0.00 C ATOM 1214 C GLY A 85 -15.764 4.928 -5.502 1.00 0.00 C ATOM 1215 O GLY A 85 -16.217 6.070 -5.447 1.00 0.00 O ATOM 0 H GLY A 85 -13.358 3.550 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.458 5.253 -7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.775 4.143 -7.511 1.00 0.00 H new ATOM 1219 N GLU A 86 -15.848 4.039 -4.524 1.00 0.00 N ATOM 1220 CA GLU A 86 -16.506 4.365 -3.270 1.00 0.00 C ATOM 1221 C GLU A 86 -15.561 5.157 -2.365 1.00 0.00 C ATOM 1222 O GLU A 86 -14.393 4.799 -2.216 1.00 0.00 O ATOM 1223 CB GLU A 86 -17.007 3.102 -2.569 1.00 0.00 C ATOM 1224 CG GLU A 86 -17.509 3.420 -1.159 1.00 0.00 C ATOM 1225 CD GLU A 86 -18.887 2.802 -0.915 1.00 0.00 C ATOM 1226 OE1 GLU A 86 -18.924 1.577 -0.665 1.00 0.00 O ATOM 1227 OE2 GLU A 86 -19.873 3.568 -0.983 1.00 0.00 O ATOM 0 H GLU A 86 -15.471 3.092 -4.574 1.00 0.00 H new ATOM 0 HA GLU A 86 -17.374 4.987 -3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.811 2.653 -3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -16.203 2.368 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.801 3.040 -0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.562 4.500 -1.023 1.00 0.00 H new ATOM 1234 N THR A 87 -16.100 6.219 -1.783 1.00 0.00 N ATOM 1235 CA THR A 87 -15.319 7.064 -0.897 1.00 0.00 C ATOM 1236 C THR A 87 -15.027 6.334 0.416 1.00 0.00 C ATOM 1237 O THR A 87 -15.666 5.330 0.728 1.00 0.00 O ATOM 1238 CB THR A 87 -16.079 8.378 -0.705 1.00 0.00 C ATOM 1239 OG1 THR A 87 -15.053 9.349 -0.523 1.00 0.00 O ATOM 1240 CG2 THR A 87 -16.863 8.414 0.609 1.00 0.00 C ATOM 0 H THR A 87 -17.069 6.513 -1.908 1.00 0.00 H new ATOM 0 HA THR A 87 -14.345 7.295 -1.328 1.00 0.00 H new ATOM 0 HB THR A 87 -16.763 8.527 -1.540 1.00 0.00 H new ATOM 0 HG1 THR A 87 -15.458 10.232 -0.393 1.00 0.00 H new ATOM 0 HG21 THR A 87 -17.384 9.368 0.696 1.00 0.00 H new ATOM 0 HG22 THR A 87 -17.589 7.601 0.622 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.175 8.299 1.446 1.00 0.00 H new ATOM 1248 N LEU A 88 -14.060 6.866 1.149 1.00 0.00 N ATOM 1249 CA LEU A 88 -13.675 6.277 2.421 1.00 0.00 C ATOM 1250 C LEU A 88 -13.631 7.370 3.491 1.00 0.00 C ATOM 1251 O LEU A 88 -14.147 7.185 4.593 1.00 0.00 O ATOM 1252 CB LEU A 88 -12.363 5.503 2.278 1.00 0.00 C ATOM 1253 CG LEU A 88 -12.408 4.269 1.375 1.00 0.00 C ATOM 1254 CD1 LEU A 88 -11.010 3.674 1.190 1.00 0.00 C ATOM 1255 CD2 LEU A 88 -13.404 3.236 1.906 1.00 0.00 C ATOM 0 H LEU A 88 -13.532 7.698 0.887 1.00 0.00 H new ATOM 0 HA LEU A 88 -14.416 5.545 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -11.603 6.183 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.038 5.191 3.271 1.00 0.00 H new ATOM 0 HG LEU A 88 -12.760 4.579 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -11.070 2.798 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -10.356 4.417 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -10.607 3.383 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -13.416 2.369 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.106 2.925 2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.400 3.677 1.944 1.00 0.00 H new ATOM 1267 N LEU A 89 -13.012 8.483 3.129 1.00 0.00 N ATOM 1268 CA LEU A 89 -12.894 9.605 4.045 1.00 0.00 C ATOM 1269 C LEU A 89 -14.251 9.867 4.702 1.00 0.00 C ATOM 1270 O LEU A 89 -14.319 10.189 5.887 1.00 0.00 O ATOM 1271 CB LEU A 89 -12.313 10.825 3.326 1.00 0.00 C ATOM 1272 CG LEU A 89 -11.184 10.543 2.333 1.00 0.00 C ATOM 1273 CD1 LEU A 89 -10.425 11.826 1.987 1.00 0.00 C ATOM 1274 CD2 LEU A 89 -10.252 9.450 2.858 1.00 0.00 C ATOM 0 H LEU A 89 -12.587 8.633 2.214 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.192 9.371 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.121 11.327 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.944 11.523 4.077 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.627 10.172 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.628 11.598 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.111 12.546 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.994 12.250 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.459 9.269 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.814 9.769 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.819 8.532 3.012 1.00 0.00 H new ATOM 1286 N GLY A 90 -15.297 9.718 3.903 1.00 0.00 N ATOM 1287 CA GLY A 90 -16.648 9.934 4.392 1.00 0.00 C ATOM 1288 C GLY A 90 -17.011 8.912 5.471 1.00 0.00 C ATOM 1289 O GLY A 90 -17.698 9.241 6.437 1.00 0.00 O ATOM 0 H GLY A 90 -15.236 9.450 2.921 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -16.735 10.942 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -17.354 9.861 3.565 1.00 0.00 H new ATOM 1293 N LYS A 91 -16.532 7.693 5.271 1.00 0.00 N ATOM 1294 CA LYS A 91 -16.797 6.621 6.216 1.00 0.00 C ATOM 1295 C LYS A 91 -15.908 6.800 7.447 1.00 0.00 C ATOM 1296 O LYS A 91 -15.162 7.774 7.542 1.00 0.00 O ATOM 1297 CB LYS A 91 -16.641 5.258 5.537 1.00 0.00 C ATOM 1298 CG LYS A 91 -17.052 5.328 4.065 1.00 0.00 C ATOM 1299 CD LYS A 91 -17.333 3.932 3.508 1.00 0.00 C ATOM 1300 CE LYS A 91 -18.425 3.979 2.437 1.00 0.00 C ATOM 1301 NZ LYS A 91 -19.446 2.939 2.692 1.00 0.00 N ATOM 0 H LYS A 91 -15.962 7.424 4.469 1.00 0.00 H new ATOM 0 HA LYS A 91 -17.830 6.664 6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.606 4.926 5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -17.252 4.518 6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.941 5.951 3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.261 5.802 3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.420 3.515 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.640 3.269 4.317 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.894 4.963 2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.983 3.829 1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.083 2.870 1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.978 2.023 2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -19.995 3.192 3.538 1.00 0.00 H new ATOM 1315 N SER A 92 -16.016 5.847 8.360 1.00 0.00 N ATOM 1316 CA SER A 92 -15.231 5.887 9.582 1.00 0.00 C ATOM 1317 C SER A 92 -14.089 4.872 9.504 1.00 0.00 C ATOM 1318 O SER A 92 -14.011 4.091 8.557 1.00 0.00 O ATOM 1319 CB SER A 92 -16.104 5.611 10.808 1.00 0.00 C ATOM 1320 OG SER A 92 -16.661 6.807 11.347 1.00 0.00 O ATOM 0 H SER A 92 -16.636 5.041 8.278 1.00 0.00 H new ATOM 0 HA SER A 92 -14.812 6.888 9.686 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.908 4.928 10.534 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.508 5.112 11.572 1.00 0.00 H new ATOM 0 HG SER A 92 -17.213 6.588 12.127 1.00 0.00 H new ATOM 1326 N ASN A 93 -13.231 4.916 10.513 1.00 0.00 N ATOM 1327 CA ASN A 93 -12.097 4.009 10.571 1.00 0.00 C ATOM 1328 C ASN A 93 -12.580 2.579 10.323 1.00 0.00 C ATOM 1329 O ASN A 93 -11.979 1.844 9.540 1.00 0.00 O ATOM 1330 CB ASN A 93 -11.428 4.051 11.946 1.00 0.00 C ATOM 1331 CG ASN A 93 -11.042 5.482 12.325 1.00 0.00 C ATOM 1332 OD1 ASN A 93 -11.685 6.132 13.133 1.00 0.00 O ATOM 1333 ND2 ASN A 93 -9.961 5.936 11.698 1.00 0.00 N ATOM 0 H ASN A 93 -13.298 5.565 11.297 1.00 0.00 H new ATOM 0 HA ASN A 93 -11.379 4.318 9.811 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -12.105 3.642 12.696 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.539 3.420 11.941 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.624 6.881 11.882 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.469 5.339 11.033 1.00 0.00 H new ATOM 1340 N HIS A 94 -13.660 2.226 11.005 1.00 0.00 N ATOM 1341 CA HIS A 94 -14.230 0.897 10.869 1.00 0.00 C ATOM 1342 C HIS A 94 -14.821 0.733 9.467 1.00 0.00 C ATOM 1343 O HIS A 94 -14.228 0.076 8.613 1.00 0.00 O ATOM 1344 CB HIS A 94 -15.250 0.627 11.977 1.00 0.00 C ATOM 1345 CG HIS A 94 -16.094 1.825 12.340 1.00 0.00 C ATOM 1346 ND1 HIS A 94 -15.608 2.889 13.079 1.00 0.00 N ATOM 1347 CD2 HIS A 94 -17.396 2.117 12.057 1.00 0.00 C ATOM 1348 CE1 HIS A 94 -16.582 3.775 13.229 1.00 0.00 C ATOM 1349 NE2 HIS A 94 -17.690 3.294 12.595 1.00 0.00 N ATOM 0 H HIS A 94 -14.155 2.838 11.654 1.00 0.00 H new ATOM 0 HA HIS A 94 -13.447 0.148 10.986 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -15.906 -0.185 11.663 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.722 0.284 12.867 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -18.073 1.495 11.491 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -16.511 4.713 13.760 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -18.595 3.762 12.543 1.00 0.00 H new ATOM 1357 N GLU A 95 -15.982 1.341 9.275 1.00 0.00 N ATOM 1358 CA GLU A 95 -16.660 1.271 7.991 1.00 0.00 C ATOM 1359 C GLU A 95 -15.641 1.309 6.850 1.00 0.00 C ATOM 1360 O GLU A 95 -15.585 0.393 6.032 1.00 0.00 O ATOM 1361 CB GLU A 95 -17.684 2.398 7.849 1.00 0.00 C ATOM 1362 CG GLU A 95 -18.521 2.541 9.122 1.00 0.00 C ATOM 1363 CD GLU A 95 -19.856 3.227 8.826 1.00 0.00 C ATOM 1364 OE1 GLU A 95 -20.666 2.606 8.105 1.00 0.00 O ATOM 1365 OE2 GLU A 95 -20.037 4.358 9.328 1.00 0.00 O ATOM 0 H GLU A 95 -16.471 1.884 9.987 1.00 0.00 H new ATOM 0 HA GLU A 95 -17.200 0.326 7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -17.171 3.336 7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -18.338 2.196 7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -18.702 1.557 9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -17.968 3.119 9.862 1.00 0.00 H new ATOM 1372 N ALA A 96 -14.860 2.380 6.833 1.00 0.00 N ATOM 1373 CA ALA A 96 -13.846 2.550 5.806 1.00 0.00 C ATOM 1374 C ALA A 96 -13.240 1.188 5.463 1.00 0.00 C ATOM 1375 O ALA A 96 -13.467 0.658 4.377 1.00 0.00 O ATOM 1376 CB ALA A 96 -12.795 3.552 6.287 1.00 0.00 C ATOM 0 H ALA A 96 -14.909 3.138 7.514 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.287 2.953 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.034 3.679 5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.272 4.511 6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -12.329 3.180 7.199 1.00 0.00 H new ATOM 1382 N MET A 97 -12.479 0.659 6.411 1.00 0.00 N ATOM 1383 CA MET A 97 -11.838 -0.631 6.224 1.00 0.00 C ATOM 1384 C MET A 97 -12.861 -1.701 5.837 1.00 0.00 C ATOM 1385 O MET A 97 -12.549 -2.618 5.079 1.00 0.00 O ATOM 1386 CB MET A 97 -11.132 -1.043 7.517 1.00 0.00 C ATOM 1387 CG MET A 97 -9.770 -0.357 7.641 1.00 0.00 C ATOM 1388 SD MET A 97 -8.711 -0.855 6.292 1.00 0.00 S ATOM 1389 CE MET A 97 -7.638 -1.998 7.146 1.00 0.00 C ATOM 0 H MET A 97 -12.292 1.101 7.311 1.00 0.00 H new ATOM 0 HA MET A 97 -11.112 -0.541 5.416 1.00 0.00 H new ATOM 0 HB2 MET A 97 -11.754 -0.783 8.374 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.001 -2.125 7.535 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.897 0.726 7.634 1.00 0.00 H new ATOM 0 HG3 MET A 97 -9.307 -0.618 8.593 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.042 -2.550 6.419 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.977 -1.446 7.814 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.240 -2.697 7.727 1.00 0.00 H new ATOM 1399 N GLU A 98 -14.062 -1.547 6.376 1.00 0.00 N ATOM 1400 CA GLU A 98 -15.133 -2.489 6.096 1.00 0.00 C ATOM 1401 C GLU A 98 -15.550 -2.398 4.627 1.00 0.00 C ATOM 1402 O GLU A 98 -15.806 -3.417 3.987 1.00 0.00 O ATOM 1403 CB GLU A 98 -16.328 -2.250 7.021 1.00 0.00 C ATOM 1404 CG GLU A 98 -15.908 -2.324 8.491 1.00 0.00 C ATOM 1405 CD GLU A 98 -16.082 -3.741 9.040 1.00 0.00 C ATOM 1406 OE1 GLU A 98 -16.316 -4.646 8.211 1.00 0.00 O ATOM 1407 OE2 GLU A 98 -15.979 -3.886 10.278 1.00 0.00 O ATOM 0 H GLU A 98 -14.317 -0.785 7.004 1.00 0.00 H new ATOM 0 HA GLU A 98 -14.763 -3.497 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -16.764 -1.273 6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -17.101 -2.993 6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -14.867 -2.017 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -16.505 -1.627 9.079 1.00 0.00 H new ATOM 1414 N THR A 99 -15.605 -1.169 4.136 1.00 0.00 N ATOM 1415 CA THR A 99 -15.987 -0.932 2.754 1.00 0.00 C ATOM 1416 C THR A 99 -15.016 -1.636 1.804 1.00 0.00 C ATOM 1417 O THR A 99 -15.418 -2.128 0.751 1.00 0.00 O ATOM 1418 CB THR A 99 -16.060 0.581 2.537 1.00 0.00 C ATOM 1419 OG1 THR A 99 -17.367 0.933 2.983 1.00 0.00 O ATOM 1420 CG2 THR A 99 -16.058 0.960 1.054 1.00 0.00 C ATOM 0 H THR A 99 -15.392 -0.327 4.670 1.00 0.00 H new ATOM 0 HA THR A 99 -16.968 -1.354 2.537 1.00 0.00 H new ATOM 0 HB THR A 99 -15.218 1.060 3.036 1.00 0.00 H new ATOM 0 HG1 THR A 99 -17.339 1.150 3.938 1.00 0.00 H new ATOM 0 HG21 THR A 99 -16.111 2.044 0.955 1.00 0.00 H new ATOM 0 HG22 THR A 99 -15.142 0.598 0.587 1.00 0.00 H new ATOM 0 HG23 THR A 99 -16.919 0.508 0.562 1.00 0.00 H new ATOM 1428 N LEU A 100 -13.755 -1.661 2.210 1.00 0.00 N ATOM 1429 CA LEU A 100 -12.723 -2.296 1.409 1.00 0.00 C ATOM 1430 C LEU A 100 -13.112 -3.752 1.145 1.00 0.00 C ATOM 1431 O LEU A 100 -13.513 -4.100 0.036 1.00 0.00 O ATOM 1432 CB LEU A 100 -11.354 -2.136 2.073 1.00 0.00 C ATOM 1433 CG LEU A 100 -10.140 -2.307 1.158 1.00 0.00 C ATOM 1434 CD1 LEU A 100 -9.879 -1.034 0.350 1.00 0.00 C ATOM 1435 CD2 LEU A 100 -8.909 -2.744 1.955 1.00 0.00 C ATOM 0 H LEU A 100 -13.425 -1.251 3.084 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.640 -1.807 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.306 -1.146 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.278 -2.861 2.883 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.359 -3.101 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.011 -1.182 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.750 -0.808 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.689 -0.204 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.060 -2.858 1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.676 -1.990 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.113 -3.696 2.446 1.00 0.00 H new ATOM 1447 N ARG A 101 -12.981 -4.564 2.184 1.00 0.00 N ATOM 1448 CA ARG A 101 -13.314 -5.974 2.079 1.00 0.00 C ATOM 1449 C ARG A 101 -14.681 -6.149 1.415 1.00 0.00 C ATOM 1450 O ARG A 101 -14.925 -7.148 0.741 1.00 0.00 O ATOM 1451 CB ARG A 101 -13.334 -6.640 3.456 1.00 0.00 C ATOM 1452 CG ARG A 101 -14.478 -6.093 4.312 1.00 0.00 C ATOM 1453 CD ARG A 101 -14.538 -6.802 5.667 1.00 0.00 C ATOM 1454 NE ARG A 101 -15.945 -6.945 6.102 1.00 0.00 N ATOM 1455 CZ ARG A 101 -16.321 -7.528 7.249 1.00 0.00 C ATOM 1456 NH1 ARG A 101 -15.397 -8.026 8.082 1.00 0.00 N ATOM 1457 NH2 ARG A 101 -17.621 -7.613 7.562 1.00 0.00 N ATOM 0 H ARG A 101 -12.649 -4.272 3.103 1.00 0.00 H new ATOM 0 HA ARG A 101 -12.547 -6.451 1.469 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -13.444 -7.718 3.341 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -12.383 -6.469 3.961 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -14.343 -5.022 4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -15.424 -6.224 3.787 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.070 -7.784 5.594 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.975 -6.235 6.409 1.00 0.00 H new ATOM 0 HE ARG A 101 -16.674 -6.577 5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -14.407 -7.961 7.843 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.683 -8.470 8.955 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -18.324 -7.234 6.928 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -17.908 -8.057 8.435 1.00 0.00 H new ATOM 1471 N ARG A 102 -15.538 -5.161 1.629 1.00 0.00 N ATOM 1472 CA ARG A 102 -16.874 -5.193 1.060 1.00 0.00 C ATOM 1473 C ARG A 102 -16.801 -5.164 -0.468 1.00 0.00 C ATOM 1474 O ARG A 102 -17.177 -6.131 -1.129 1.00 0.00 O ATOM 1475 CB ARG A 102 -17.708 -4.006 1.547 1.00 0.00 C ATOM 1476 CG ARG A 102 -19.204 -4.316 1.464 1.00 0.00 C ATOM 1477 CD ARG A 102 -19.524 -5.143 0.217 1.00 0.00 C ATOM 1478 NE ARG A 102 -20.987 -5.333 0.097 1.00 0.00 N ATOM 1479 CZ ARG A 102 -21.850 -4.350 -0.194 1.00 0.00 C ATOM 1480 NH1 ARG A 102 -21.403 -3.103 -0.397 1.00 0.00 N ATOM 1481 NH2 ARG A 102 -23.161 -4.614 -0.282 1.00 0.00 N ATOM 0 H ARG A 102 -15.333 -4.333 2.189 1.00 0.00 H new ATOM 0 HA ARG A 102 -17.352 -6.117 1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -17.439 -3.766 2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -17.481 -3.126 0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -19.516 -4.860 2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -19.771 -3.385 1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -19.140 -4.641 -0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -19.027 -6.111 0.275 1.00 0.00 H new ATOM 0 HE ARG A 102 -21.361 -6.270 0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -20.405 -2.902 -0.330 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -22.060 -2.355 -0.618 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -23.502 -5.563 -0.127 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -23.818 -3.866 -0.503 1.00 0.00 H new ATOM 1495 N SER A 103 -16.316 -4.045 -0.984 1.00 0.00 N ATOM 1496 CA SER A 103 -16.189 -3.877 -2.422 1.00 0.00 C ATOM 1497 C SER A 103 -15.326 -4.998 -3.005 1.00 0.00 C ATOM 1498 O SER A 103 -15.572 -5.461 -4.117 1.00 0.00 O ATOM 1499 CB SER A 103 -15.591 -2.512 -2.767 1.00 0.00 C ATOM 1500 OG SER A 103 -16.593 -1.569 -3.140 1.00 0.00 O ATOM 0 H SER A 103 -16.006 -3.245 -0.432 1.00 0.00 H new ATOM 0 HA SER A 103 -17.185 -3.928 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 103 -15.037 -2.132 -1.909 1.00 0.00 H new ATOM 0 HB3 SER A 103 -14.877 -2.625 -3.583 1.00 0.00 H new ATOM 0 HG SER A 103 -16.171 -0.710 -3.351 1.00 0.00 H new ATOM 1506 N MET A 104 -14.331 -5.400 -2.228 1.00 0.00 N ATOM 1507 CA MET A 104 -13.429 -6.457 -2.653 1.00 0.00 C ATOM 1508 C MET A 104 -14.200 -7.740 -2.973 1.00 0.00 C ATOM 1509 O MET A 104 -13.778 -8.528 -3.817 1.00 0.00 O ATOM 1510 CB MET A 104 -12.411 -6.736 -1.546 1.00 0.00 C ATOM 1511 CG MET A 104 -11.302 -5.682 -1.542 1.00 0.00 C ATOM 1512 SD MET A 104 -10.486 -5.659 0.045 1.00 0.00 S ATOM 1513 CE MET A 104 -10.330 -7.413 0.339 1.00 0.00 C ATOM 0 H MET A 104 -14.130 -5.013 -1.306 1.00 0.00 H new ATOM 0 HA MET A 104 -12.915 -6.129 -3.557 1.00 0.00 H new ATOM 0 HB2 MET A 104 -12.913 -6.744 -0.579 1.00 0.00 H new ATOM 0 HB3 MET A 104 -11.977 -7.726 -1.688 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.579 -5.900 -2.328 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.722 -4.700 -1.758 1.00 0.00 H new ATOM 0 HE1 MET A 104 -9.528 -7.592 1.055 1.00 0.00 H new ATOM 0 HE2 MET A 104 -11.267 -7.800 0.739 1.00 0.00 H new ATOM 0 HE3 MET A 104 -10.099 -7.920 -0.598 1.00 0.00 H new ATOM 1523 N SER A 105 -15.317 -7.909 -2.281 1.00 0.00 N ATOM 1524 CA SER A 105 -16.151 -9.082 -2.481 1.00 0.00 C ATOM 1525 C SER A 105 -17.275 -8.763 -3.469 1.00 0.00 C ATOM 1526 O SER A 105 -17.590 -9.573 -4.339 1.00 0.00 O ATOM 1527 CB SER A 105 -16.734 -9.576 -1.155 1.00 0.00 C ATOM 1528 OG SER A 105 -17.631 -8.630 -0.581 1.00 0.00 O ATOM 0 H SER A 105 -15.664 -7.253 -1.581 1.00 0.00 H new ATOM 0 HA SER A 105 -15.529 -9.877 -2.892 1.00 0.00 H new ATOM 0 HB2 SER A 105 -17.257 -10.519 -1.318 1.00 0.00 H new ATOM 0 HB3 SER A 105 -15.923 -9.778 -0.455 1.00 0.00 H new ATOM 0 HG SER A 105 -17.193 -7.755 -0.527 1.00 0.00 H new ATOM 1534 N MET A 106 -17.850 -7.581 -3.300 1.00 0.00 N ATOM 1535 CA MET A 106 -18.932 -7.145 -4.166 1.00 0.00 C ATOM 1536 C MET A 106 -18.388 -6.513 -5.449 1.00 0.00 C ATOM 1537 O MET A 106 -18.546 -7.070 -6.534 1.00 0.00 O ATOM 1538 CB MET A 106 -19.801 -6.127 -3.424 1.00 0.00 C ATOM 1539 CG MET A 106 -21.267 -6.565 -3.409 1.00 0.00 C ATOM 1540 SD MET A 106 -22.023 -6.222 -4.989 1.00 0.00 S ATOM 1541 CE MET A 106 -23.335 -7.432 -4.975 1.00 0.00 C ATOM 0 H MET A 106 -17.587 -6.912 -2.576 1.00 0.00 H new ATOM 0 HA MET A 106 -19.528 -8.016 -4.437 1.00 0.00 H new ATOM 0 HB2 MET A 106 -19.441 -6.013 -2.401 1.00 0.00 H new ATOM 0 HB3 MET A 106 -19.714 -5.152 -3.903 1.00 0.00 H new ATOM 0 HG2 MET A 106 -21.335 -7.630 -3.188 1.00 0.00 H new ATOM 0 HG3 MET A 106 -21.804 -6.041 -2.618 1.00 0.00 H new ATOM 0 HE1 MET A 106 -23.911 -7.355 -5.897 1.00 0.00 H new ATOM 0 HE2 MET A 106 -22.907 -8.432 -4.897 1.00 0.00 H new ATOM 0 HE3 MET A 106 -23.989 -7.249 -4.122 1.00 0.00 H new ATOM 1551 N GLU A 107 -17.758 -5.360 -5.281 1.00 0.00 N ATOM 1552 CA GLU A 107 -17.189 -4.647 -6.412 1.00 0.00 C ATOM 1553 C GLU A 107 -16.234 -5.556 -7.187 1.00 0.00 C ATOM 1554 O GLU A 107 -15.981 -5.332 -8.370 1.00 0.00 O ATOM 1555 CB GLU A 107 -16.481 -3.370 -5.955 1.00 0.00 C ATOM 1556 CG GLU A 107 -17.447 -2.184 -5.936 1.00 0.00 C ATOM 1557 CD GLU A 107 -17.892 -1.816 -7.353 1.00 0.00 C ATOM 1558 OE1 GLU A 107 -16.997 -1.711 -8.220 1.00 0.00 O ATOM 1559 OE2 GLU A 107 -19.117 -1.650 -7.538 1.00 0.00 O ATOM 0 H GLU A 107 -17.629 -4.902 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 107 -18.001 -4.355 -7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -16.062 -3.518 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -15.647 -3.154 -6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -18.319 -2.430 -5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -16.965 -1.326 -5.468 1.00 0.00 H new ATOM 1566 N GLY A 108 -15.730 -6.564 -6.490 1.00 0.00 N ATOM 1567 CA GLY A 108 -14.808 -7.508 -7.098 1.00 0.00 C ATOM 1568 C GLY A 108 -15.549 -8.745 -7.609 1.00 0.00 C ATOM 1569 O GLY A 108 -14.959 -9.596 -8.274 1.00 0.00 O ATOM 0 H GLY A 108 -15.943 -6.747 -5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -14.282 -7.028 -7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -14.054 -7.806 -6.370 1.00 0.00 H new ATOM 1573 N ASN A 109 -16.831 -8.806 -7.279 1.00 0.00 N ATOM 1574 CA ASN A 109 -17.658 -9.926 -7.697 1.00 0.00 C ATOM 1575 C ASN A 109 -18.217 -9.648 -9.094 1.00 0.00 C ATOM 1576 O ASN A 109 -18.054 -10.459 -10.004 1.00 0.00 O ATOM 1577 CB ASN A 109 -18.840 -10.122 -6.745 1.00 0.00 C ATOM 1578 CG ASN A 109 -18.688 -11.416 -5.942 1.00 0.00 C ATOM 1579 OD1 ASN A 109 -18.090 -12.384 -6.383 1.00 0.00 O ATOM 1580 ND2 ASN A 109 -19.262 -11.378 -4.743 1.00 0.00 N ATOM 0 H ASN A 109 -17.317 -8.099 -6.728 1.00 0.00 H new ATOM 0 HA ASN A 109 -17.039 -10.823 -7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -18.908 -9.273 -6.064 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -19.769 -10.150 -7.314 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -19.217 -12.192 -4.130 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -19.747 -10.535 -4.436 1.00 0.00 H new ATOM 1587 N ILE A 110 -18.864 -8.498 -9.219 1.00 0.00 N ATOM 1588 CA ILE A 110 -19.448 -8.103 -10.490 1.00 0.00 C ATOM 1589 C ILE A 110 -18.339 -7.626 -11.429 1.00 0.00 C ATOM 1590 O ILE A 110 -18.371 -7.906 -12.627 1.00 0.00 O ATOM 1591 CB ILE A 110 -20.557 -7.072 -10.272 1.00 0.00 C ATOM 1592 CG1 ILE A 110 -19.970 -5.684 -10.005 1.00 0.00 C ATOM 1593 CG2 ILE A 110 -21.508 -7.515 -9.159 1.00 0.00 C ATOM 1594 CD1 ILE A 110 -19.471 -5.568 -8.564 1.00 0.00 C ATOM 0 H ILE A 110 -18.997 -7.828 -8.462 1.00 0.00 H new ATOM 0 HA ILE A 110 -19.928 -8.955 -10.971 1.00 0.00 H new ATOM 0 HB ILE A 110 -21.144 -7.004 -11.188 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.148 -5.494 -10.695 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -20.727 -4.923 -10.194 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -22.286 -6.764 -9.025 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -21.965 -8.467 -9.428 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -20.951 -7.630 -8.229 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -19.059 -4.572 -8.401 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -20.301 -5.734 -7.877 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -18.697 -6.315 -8.386 1.00 0.00 H new ATOM 1606 N ARG A 111 -17.384 -6.913 -10.851 1.00 0.00 N ATOM 1607 CA ARG A 111 -16.267 -6.393 -11.622 1.00 0.00 C ATOM 1608 C ARG A 111 -15.193 -7.470 -11.792 1.00 0.00 C ATOM 1609 O ARG A 111 -14.990 -7.980 -12.893 1.00 0.00 O ATOM 1610 CB ARG A 111 -15.649 -5.171 -10.941 1.00 0.00 C ATOM 1611 CG ARG A 111 -15.032 -4.223 -11.971 1.00 0.00 C ATOM 1612 CD ARG A 111 -15.932 -3.008 -12.207 1.00 0.00 C ATOM 1613 NE ARG A 111 -15.183 -1.956 -12.929 1.00 0.00 N ATOM 1614 CZ ARG A 111 -15.515 -0.657 -12.920 1.00 0.00 C ATOM 1615 NH1 ARG A 111 -16.584 -0.244 -12.226 1.00 0.00 N ATOM 1616 NH2 ARG A 111 -14.777 0.227 -13.605 1.00 0.00 N ATOM 0 H ARG A 111 -17.360 -6.683 -9.858 1.00 0.00 H new ATOM 0 HA ARG A 111 -16.648 -6.096 -12.599 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -16.412 -4.644 -10.368 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -14.885 -5.492 -10.233 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -14.052 -3.893 -11.625 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -14.877 -4.753 -12.911 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -16.810 -3.302 -12.783 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -16.291 -2.621 -11.254 1.00 0.00 H new ATOM 0 HE ARG A 111 -14.363 -2.236 -13.467 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -17.145 -0.918 -11.705 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -16.837 0.744 -12.219 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -13.963 -0.088 -14.133 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -15.029 1.215 -13.599 1.00 0.00 H new ATOM 1630 N GLY A 112 -14.535 -7.785 -10.686 1.00 0.00 N ATOM 1631 CA GLY A 112 -13.488 -8.792 -10.700 1.00 0.00 C ATOM 1632 C GLY A 112 -12.150 -8.198 -10.254 1.00 0.00 C ATOM 1633 O GLY A 112 -11.125 -8.877 -10.282 1.00 0.00 O ATOM 0 H GLY A 112 -14.707 -7.361 -9.775 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -13.762 -9.616 -10.041 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -13.390 -9.206 -11.704 1.00 0.00 H new ATOM 1637 N MET A 113 -12.204 -6.936 -9.852 1.00 0.00 N ATOM 1638 CA MET A 113 -11.009 -6.243 -9.400 1.00 0.00 C ATOM 1639 C MET A 113 -11.361 -5.137 -8.403 1.00 0.00 C ATOM 1640 O MET A 113 -12.504 -5.037 -7.960 1.00 0.00 O ATOM 1641 CB MET A 113 -10.287 -5.634 -10.604 1.00 0.00 C ATOM 1642 CG MET A 113 -11.084 -4.467 -11.189 1.00 0.00 C ATOM 1643 SD MET A 113 -10.736 -4.303 -12.932 1.00 0.00 S ATOM 1644 CE MET A 113 -11.622 -5.720 -13.560 1.00 0.00 C ATOM 0 H MET A 113 -13.056 -6.376 -9.830 1.00 0.00 H new ATOM 0 HA MET A 113 -10.360 -6.963 -8.901 1.00 0.00 H new ATOM 0 HB2 MET A 113 -9.298 -5.289 -10.303 1.00 0.00 H new ATOM 0 HB3 MET A 113 -10.139 -6.397 -11.368 1.00 0.00 H new ATOM 0 HG2 MET A 113 -12.151 -4.632 -11.037 1.00 0.00 H new ATOM 0 HG3 MET A 113 -10.827 -3.544 -10.670 1.00 0.00 H new ATOM 0 HE1 MET A 113 -11.939 -5.526 -14.585 1.00 0.00 H new ATOM 0 HE2 MET A 113 -10.971 -6.594 -13.541 1.00 0.00 H new ATOM 0 HE3 MET A 113 -12.498 -5.906 -12.938 1.00 0.00 H new ATOM 1654 N ILE A 114 -10.357 -4.336 -8.079 1.00 0.00 N ATOM 1655 CA ILE A 114 -10.546 -3.242 -7.142 1.00 0.00 C ATOM 1656 C ILE A 114 -9.632 -2.078 -7.532 1.00 0.00 C ATOM 1657 O ILE A 114 -8.690 -2.256 -8.302 1.00 0.00 O ATOM 1658 CB ILE A 114 -10.345 -3.726 -5.704 1.00 0.00 C ATOM 1659 CG1 ILE A 114 -10.588 -2.593 -4.705 1.00 0.00 C ATOM 1660 CG2 ILE A 114 -8.964 -4.360 -5.527 1.00 0.00 C ATOM 1661 CD1 ILE A 114 -10.825 -3.145 -3.298 1.00 0.00 C ATOM 0 H ILE A 114 -9.410 -4.423 -8.449 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.571 -2.874 -7.189 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.084 -4.501 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -9.730 -1.921 -4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -11.450 -2.005 -5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.847 -4.695 -4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -8.866 -5.212 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.194 -3.625 -5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -10.995 -2.319 -2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -11.698 -3.798 -3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.951 -3.712 -2.978 1.00 0.00 H new ATOM 1673 N GLN A 115 -9.942 -0.914 -6.982 1.00 0.00 N ATOM 1674 CA GLN A 115 -9.160 0.279 -7.263 1.00 0.00 C ATOM 1675 C GLN A 115 -8.794 0.992 -5.960 1.00 0.00 C ATOM 1676 O GLN A 115 -9.534 0.922 -4.980 1.00 0.00 O ATOM 1677 CB GLN A 115 -9.912 1.217 -8.209 1.00 0.00 C ATOM 1678 CG GLN A 115 -9.261 2.601 -8.240 1.00 0.00 C ATOM 1679 CD GLN A 115 -10.082 3.574 -9.090 1.00 0.00 C ATOM 1680 OE1 GLN A 115 -10.619 4.558 -8.609 1.00 0.00 O ATOM 1681 NE2 GLN A 115 -10.147 3.244 -10.377 1.00 0.00 N ATOM 0 H GLN A 115 -10.724 -0.771 -6.343 1.00 0.00 H new ATOM 0 HA GLN A 115 -8.238 -0.023 -7.761 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -9.923 0.794 -9.213 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -10.950 1.306 -7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -9.170 2.987 -7.225 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -8.251 2.523 -8.643 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -9.673 2.405 -10.713 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -10.671 3.829 -11.028 1.00 0.00 H new ATOM 1690 N LEU A 116 -7.651 1.662 -5.991 1.00 0.00 N ATOM 1691 CA LEU A 116 -7.177 2.387 -4.825 1.00 0.00 C ATOM 1692 C LEU A 116 -6.851 3.828 -5.224 1.00 0.00 C ATOM 1693 O LEU A 116 -6.094 4.059 -6.165 1.00 0.00 O ATOM 1694 CB LEU A 116 -6.005 1.650 -4.175 1.00 0.00 C ATOM 1695 CG LEU A 116 -6.300 0.235 -3.671 1.00 0.00 C ATOM 1696 CD1 LEU A 116 -5.005 -0.506 -3.331 1.00 0.00 C ATOM 1697 CD2 LEU A 116 -7.270 0.265 -2.489 1.00 0.00 C ATOM 0 H LEU A 116 -7.040 1.718 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.956 2.434 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -5.191 1.595 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.647 2.246 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.788 -0.319 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.242 -1.509 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.381 -0.575 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.468 0.037 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.463 -0.753 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.833 0.842 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.207 0.728 -2.799 1.00 0.00 H new ATOM 1709 N VAL A 117 -7.439 4.760 -4.487 1.00 0.00 N ATOM 1710 CA VAL A 117 -7.221 6.172 -4.752 1.00 0.00 C ATOM 1711 C VAL A 117 -6.437 6.788 -3.592 1.00 0.00 C ATOM 1712 O VAL A 117 -6.958 6.920 -2.486 1.00 0.00 O ATOM 1713 CB VAL A 117 -8.558 6.869 -5.007 1.00 0.00 C ATOM 1714 CG1 VAL A 117 -8.349 8.225 -5.684 1.00 0.00 C ATOM 1715 CG2 VAL A 117 -9.490 5.982 -5.835 1.00 0.00 C ATOM 0 H VAL A 117 -8.066 4.564 -3.707 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.624 6.304 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.033 7.045 -4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -9.315 8.700 -5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.740 8.862 -5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.843 8.081 -6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.434 6.502 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -9.023 5.760 -6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.678 5.052 -5.299 1.00 0.00 H new ATOM 1725 N ILE A 118 -5.196 7.150 -3.885 1.00 0.00 N ATOM 1726 CA ILE A 118 -4.335 7.750 -2.880 1.00 0.00 C ATOM 1727 C ILE A 118 -4.200 9.249 -3.159 1.00 0.00 C ATOM 1728 O ILE A 118 -4.432 9.698 -4.280 1.00 0.00 O ATOM 1729 CB ILE A 118 -2.995 7.014 -2.814 1.00 0.00 C ATOM 1730 CG1 ILE A 118 -2.096 7.406 -3.988 1.00 0.00 C ATOM 1731 CG2 ILE A 118 -3.204 5.501 -2.732 1.00 0.00 C ATOM 1732 CD1 ILE A 118 -1.093 8.485 -3.575 1.00 0.00 C ATOM 0 H ILE A 118 -4.767 7.039 -4.804 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.778 7.648 -1.889 1.00 0.00 H new ATOM 0 HB ILE A 118 -2.483 7.318 -1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -1.562 6.528 -4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -2.708 7.770 -4.813 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.236 5.002 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.779 5.261 -1.837 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -3.746 5.160 -3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.466 8.745 -4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -1.630 9.371 -3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -0.467 8.109 -2.766 1.00 0.00 H new ATOM 1744 N LEU A 119 -3.826 9.980 -2.119 1.00 0.00 N ATOM 1745 CA LEU A 119 -3.658 11.418 -2.238 1.00 0.00 C ATOM 1746 C LEU A 119 -2.369 11.837 -1.528 1.00 0.00 C ATOM 1747 O LEU A 119 -2.208 11.594 -0.333 1.00 0.00 O ATOM 1748 CB LEU A 119 -4.904 12.147 -1.731 1.00 0.00 C ATOM 1749 CG LEU A 119 -4.916 13.665 -1.921 1.00 0.00 C ATOM 1750 CD1 LEU A 119 -3.886 14.340 -1.013 1.00 0.00 C ATOM 1751 CD2 LEU A 119 -4.714 14.036 -3.391 1.00 0.00 C ATOM 0 H LEU A 119 -3.635 9.603 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 119 -3.554 11.704 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.775 11.730 -2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.019 11.933 -0.668 1.00 0.00 H new ATOM 0 HG LEU A 119 -5.897 14.037 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -3.916 15.418 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -4.117 14.117 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.890 13.966 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -4.727 15.121 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -3.755 13.649 -3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.516 13.603 -3.989 1.00 0.00 H new ATOM 1763 N ARG A 120 -1.484 12.459 -2.293 1.00 0.00 N ATOM 1764 CA ARG A 120 -0.215 12.914 -1.752 1.00 0.00 C ATOM 1765 C ARG A 120 0.091 14.333 -2.236 1.00 0.00 C ATOM 1766 O ARG A 120 -0.240 14.692 -3.365 1.00 0.00 O ATOM 1767 CB ARG A 120 0.926 11.984 -2.168 1.00 0.00 C ATOM 1768 CG ARG A 120 2.224 12.352 -1.447 1.00 0.00 C ATOM 1769 CD ARG A 120 2.784 11.154 -0.678 1.00 0.00 C ATOM 1770 NE ARG A 120 4.231 11.008 -0.953 1.00 0.00 N ATOM 1771 CZ ARG A 120 5.021 10.103 -0.358 1.00 0.00 C ATOM 1772 NH1 ARG A 120 4.509 9.260 0.549 1.00 0.00 N ATOM 1773 NH2 ARG A 120 6.323 10.043 -0.669 1.00 0.00 N ATOM 0 H ARG A 120 -1.621 12.659 -3.284 1.00 0.00 H new ATOM 0 HA ARG A 120 -0.297 12.907 -0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 120 0.660 10.952 -1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 120 1.075 12.045 -3.246 1.00 0.00 H new ATOM 0 HG2 ARG A 120 2.960 12.700 -2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 120 2.040 13.177 -0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.620 11.289 0.391 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.257 10.246 -0.969 1.00 0.00 H new ATOM 0 HE ARG A 120 4.653 11.635 -1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 120 3.518 9.307 0.787 1.00 0.00 H new ATOM 0 HH12 ARG A 120 5.110 8.571 1.002 1.00 0.00 H new ATOM 0 HH21 ARG A 120 6.713 10.686 -1.358 1.00 0.00 H new ATOM 0 HH22 ARG A 120 6.924 9.355 -0.216 1.00 0.00 H new