USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=21 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 92 SER OG : rot 29:sc= 1.16 USER MOD Set 1.2: A 94 HIS : no HD1:sc= -5.49! C(o=-4.3!,f=-3.9!) USER MOD Set 2.1: A 91 LYS NZ :NH3+ -175:sc= 0.188 (180deg=0) USER MOD Set 2.2: A 99 THR OG1 : rot 110:sc= 0.173 USER MOD Set 3.1: A 51 THR OG1 : rot -155:sc= 0.424 USER MOD Set 3.2: A 53 THR OG1 : rot -88:sc= 0.96 USER MOD Set 4.1: A 44 LYS NZ :NH3+ 150:sc= -0.0333 (180deg=-0.75) USER MOD Set 4.2: A 77 ASN : amide:sc= -1.52! C(o=-1.5!,f=-6!) USER MOD Set 5.1: A 24 GLN :FLIP amide:sc= -0.881 F(o=-3.8,f=-0.3) USER MOD Set 5.2: A 26 THR OG1 : rot 63:sc= 0.583 USER MOD Single : A 32 ASN :FLIP amide:sc= -0.774 F(o=-2!,f=-0.77) USER MOD Single : A 34 SER OG : rot -112:sc= -4.01! 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 46 ASN : amide:sc= -0.004 K(o=-0.004,f=-1.8) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -160:sc= -0.564 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 61:sc= 0.00534 USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.317 F(o=-0.94,f=-0.32) 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 79 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.3) USER MOD Single : A 84 ASN : amide:sc= -5.2! C(o=-5.2!,f=-17!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.0299 K(o=-0.03,f=-1.3) USER MOD Single : A 97 MET CE :methyl 163:sc= -1.14 (180deg=-1.52) USER MOD Single : A 103 SER OG : rot 180:sc= 0.0553 USER MOD Single : A 104 MET CE :methyl -116:sc= -8.22! (180deg=-13.7!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN :FLIP amide:sc= -1.97 F(o=-2.7!,f=-2) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= -5.76! C(o=-5.8!,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 283 N GLU A 23 -2.413 16.241 -6.142 1.00 0.00 N ATOM 284 CA GLU A 23 -1.934 15.085 -6.880 1.00 0.00 C ATOM 285 C GLU A 23 -2.632 13.815 -6.389 1.00 0.00 C ATOM 286 O GLU A 23 -2.759 13.598 -5.185 1.00 0.00 O ATOM 287 CB GLU A 23 -0.414 14.953 -6.768 1.00 0.00 C ATOM 288 CG GLU A 23 0.265 15.299 -8.095 1.00 0.00 C ATOM 289 CD GLU A 23 0.082 14.173 -9.114 1.00 0.00 C ATOM 290 OE1 GLU A 23 -1.061 13.679 -9.215 1.00 0.00 O ATOM 291 OE2 GLU A 23 1.090 13.832 -9.770 1.00 0.00 O ATOM 0 HA GLU A 23 -2.176 15.226 -7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.045 15.613 -5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.154 13.935 -6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.153 16.224 -8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.328 15.475 -7.929 1.00 0.00 H new ATOM 298 N GLN A 24 -3.066 13.008 -7.346 1.00 0.00 N ATOM 299 CA GLN A 24 -3.748 11.766 -7.026 1.00 0.00 C ATOM 300 C GLN A 24 -3.355 10.673 -8.023 1.00 0.00 C ATOM 301 O GLN A 24 -3.294 10.919 -9.226 1.00 0.00 O ATOM 302 CB GLN A 24 -5.265 11.963 -6.999 1.00 0.00 C ATOM 303 CG GLN A 24 -5.986 10.639 -6.740 1.00 0.00 C ATOM 304 CD GLN A 24 -6.880 10.261 -7.922 1.00 0.00 C ATOM 305 OE1 GLN A 24 -6.360 9.331 -8.718 1.00 0.00 O flip ATOM 306 NE2 GLN A 24 -7.970 10.780 -8.100 1.00 0.00 N flip ATOM 0 H GLN A 24 -2.958 13.190 -8.344 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.438 11.451 -6.029 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.528 12.682 -6.223 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.598 12.383 -7.948 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.254 9.850 -6.566 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.588 10.720 -5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.310 11.489 -7.450 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.541 10.505 -8.899 1.00 0.00 H new ATOM 315 N LEU A 25 -3.100 9.490 -7.484 1.00 0.00 N ATOM 316 CA LEU A 25 -2.715 8.359 -8.311 1.00 0.00 C ATOM 317 C LEU A 25 -3.818 7.299 -8.264 1.00 0.00 C ATOM 318 O LEU A 25 -4.553 7.206 -7.282 1.00 0.00 O ATOM 319 CB LEU A 25 -1.339 7.833 -7.894 1.00 0.00 C ATOM 320 CG LEU A 25 -0.139 8.672 -8.337 1.00 0.00 C ATOM 321 CD1 LEU A 25 1.105 8.325 -7.516 1.00 0.00 C ATOM 322 CD2 LEU A 25 0.108 8.526 -9.840 1.00 0.00 C ATOM 0 H LEU A 25 -3.152 9.290 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.611 8.667 -9.352 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.318 7.750 -6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.220 6.826 -8.293 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.368 9.721 -8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.944 8.935 -7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.911 8.521 -6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.347 7.271 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.966 9.133 -10.128 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.307 7.481 -10.076 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.773 8.861 -10.388 1.00 0.00 H new ATOM 334 N THR A 26 -3.898 6.527 -9.338 1.00 0.00 N ATOM 335 CA THR A 26 -4.899 5.478 -9.431 1.00 0.00 C ATOM 336 C THR A 26 -4.233 4.128 -9.708 1.00 0.00 C ATOM 337 O THR A 26 -3.671 3.918 -10.782 1.00 0.00 O ATOM 338 CB THR A 26 -5.913 5.886 -10.502 1.00 0.00 C ATOM 339 OG1 THR A 26 -6.626 6.969 -9.910 1.00 0.00 O ATOM 340 CG2 THR A 26 -6.984 4.817 -10.731 1.00 0.00 C ATOM 0 H THR A 26 -3.287 6.607 -10.150 1.00 0.00 H new ATOM 0 HA THR A 26 -5.432 5.355 -8.488 1.00 0.00 H new ATOM 0 HB THR A 26 -5.392 6.085 -11.438 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.011 7.713 -9.742 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.678 5.156 -11.500 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.510 3.890 -11.053 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.528 4.642 -9.803 1.00 0.00 H new ATOM 348 N LEU A 27 -4.318 3.249 -8.721 1.00 0.00 N ATOM 349 CA LEU A 27 -3.731 1.926 -8.845 1.00 0.00 C ATOM 350 C LEU A 27 -4.839 0.873 -8.783 1.00 0.00 C ATOM 351 O LEU A 27 -5.515 0.737 -7.765 1.00 0.00 O ATOM 352 CB LEU A 27 -2.634 1.726 -7.797 1.00 0.00 C ATOM 353 CG LEU A 27 -1.540 2.795 -7.759 1.00 0.00 C ATOM 354 CD1 LEU A 27 -0.800 2.870 -9.096 1.00 0.00 C ATOM 355 CD2 LEU A 27 -2.113 4.152 -7.345 1.00 0.00 C ATOM 0 H LEU A 27 -4.785 3.427 -7.832 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.240 1.817 -9.812 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.102 1.679 -6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.163 0.759 -7.973 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.810 2.509 -7.002 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.028 3.637 -9.042 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.339 1.906 -9.311 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.505 3.120 -9.889 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.314 4.894 -7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.876 4.458 -8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.557 4.072 -6.353 1.00 0.00 H new ATOM 367 N GLU A 28 -4.990 0.154 -9.886 1.00 0.00 N ATOM 368 CA GLU A 28 -6.005 -0.883 -9.970 1.00 0.00 C ATOM 369 C GLU A 28 -5.402 -2.245 -9.620 1.00 0.00 C ATOM 370 O GLU A 28 -4.245 -2.516 -9.939 1.00 0.00 O ATOM 371 CB GLU A 28 -6.649 -0.908 -11.357 1.00 0.00 C ATOM 372 CG GLU A 28 -7.317 0.431 -11.676 1.00 0.00 C ATOM 373 CD GLU A 28 -7.529 0.593 -13.183 1.00 0.00 C ATOM 374 OE1 GLU A 28 -6.577 1.062 -13.842 1.00 0.00 O ATOM 375 OE2 GLU A 28 -8.639 0.243 -13.640 1.00 0.00 O ATOM 0 H GLU A 28 -4.427 0.269 -10.729 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.788 -0.658 -9.246 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.892 -1.129 -12.109 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.388 -1.708 -11.404 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.276 0.495 -11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.699 1.248 -11.302 1.00 0.00 H new ATOM 382 N ILE A 29 -6.213 -3.066 -8.969 1.00 0.00 N ATOM 383 CA ILE A 29 -5.774 -4.393 -8.573 1.00 0.00 C ATOM 384 C ILE A 29 -6.871 -5.408 -8.902 1.00 0.00 C ATOM 385 O ILE A 29 -7.995 -5.291 -8.417 1.00 0.00 O ATOM 386 CB ILE A 29 -5.350 -4.401 -7.103 1.00 0.00 C ATOM 387 CG1 ILE A 29 -4.132 -3.503 -6.879 1.00 0.00 C ATOM 388 CG2 ILE A 29 -5.109 -5.829 -6.609 1.00 0.00 C ATOM 389 CD1 ILE A 29 -3.951 -3.185 -5.393 1.00 0.00 C ATOM 0 H ILE A 29 -7.172 -2.838 -8.706 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.889 -4.685 -9.138 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.167 -3.989 -6.510 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.238 -3.995 -7.261 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.250 -2.577 -7.441 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.809 -5.806 -5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.026 -6.409 -6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.320 -6.291 -7.202 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.078 -2.545 -5.261 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.837 -2.671 -5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.809 -4.112 -4.837 1.00 0.00 H new ATOM 401 N PRO A 30 -6.496 -6.406 -9.746 1.00 0.00 N ATOM 402 CA PRO A 30 -7.435 -7.441 -10.146 1.00 0.00 C ATOM 403 C PRO A 30 -7.666 -8.440 -9.010 1.00 0.00 C ATOM 404 O PRO A 30 -6.746 -8.747 -8.253 1.00 0.00 O ATOM 405 CB PRO A 30 -6.818 -8.076 -11.381 1.00 0.00 C ATOM 406 CG PRO A 30 -5.347 -7.694 -11.356 1.00 0.00 C ATOM 407 CD PRO A 30 -5.173 -6.576 -10.340 1.00 0.00 C ATOM 0 HA PRO A 30 -8.426 -7.047 -10.371 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.940 -9.159 -11.366 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.300 -7.713 -12.289 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.734 -8.554 -11.086 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.021 -7.367 -12.343 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.431 -6.838 -9.586 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.832 -5.657 -10.817 1.00 0.00 H new ATOM 415 N LEU A 31 -8.898 -8.920 -8.928 1.00 0.00 N ATOM 416 CA LEU A 31 -9.261 -9.878 -7.898 1.00 0.00 C ATOM 417 C LEU A 31 -9.929 -11.091 -8.549 1.00 0.00 C ATOM 418 O LEU A 31 -11.030 -11.480 -8.162 1.00 0.00 O ATOM 419 CB LEU A 31 -10.117 -9.209 -6.821 1.00 0.00 C ATOM 420 CG LEU A 31 -9.574 -7.896 -6.253 1.00 0.00 C ATOM 421 CD1 LEU A 31 -10.434 -7.407 -5.086 1.00 0.00 C ATOM 422 CD2 LEU A 31 -8.102 -8.035 -5.861 1.00 0.00 C ATOM 0 H LEU A 31 -9.658 -8.663 -9.558 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.371 -10.241 -7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.107 -9.020 -7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.246 -9.912 -5.998 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.629 -7.137 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.027 -6.472 -4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.455 -7.243 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.434 -8.157 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.741 -7.088 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.999 -8.812 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.515 -8.304 -6.739 1.00 0.00 H new ATOM 434 N ASN A 32 -9.235 -11.656 -9.526 1.00 0.00 N ATOM 435 CA ASN A 32 -9.747 -12.816 -10.234 1.00 0.00 C ATOM 436 C ASN A 32 -9.284 -14.089 -9.522 1.00 0.00 C ATOM 437 O ASN A 32 -10.104 -14.867 -9.038 1.00 0.00 O ATOM 438 CB ASN A 32 -9.222 -12.862 -11.671 1.00 0.00 C ATOM 439 CG ASN A 32 -9.430 -11.518 -12.373 1.00 0.00 C ATOM 440 OD1 ASN A 32 -8.428 -10.660 -12.207 1.00 0.00 O flip ATOM 441 ND2 ASN A 32 -10.434 -11.277 -13.022 1.00 0.00 N flip ATOM 0 H ASN A 32 -8.322 -11.331 -9.844 1.00 0.00 H new ATOM 0 HA ASN A 32 -10.835 -12.747 -10.249 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -8.162 -13.114 -11.667 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.735 -13.649 -12.224 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.166 -11.982 -13.109 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.541 -10.371 -13.478 1.00 0.00 H new ATOM 448 N ASP A 33 -7.971 -14.260 -9.479 1.00 0.00 N ATOM 449 CA ASP A 33 -7.389 -15.425 -8.834 1.00 0.00 C ATOM 450 C ASP A 33 -7.181 -15.128 -7.347 1.00 0.00 C ATOM 451 O ASP A 33 -7.491 -15.958 -6.495 1.00 0.00 O ATOM 452 CB ASP A 33 -6.028 -15.769 -9.442 1.00 0.00 C ATOM 453 CG ASP A 33 -5.352 -17.010 -8.855 1.00 0.00 C ATOM 454 OD1 ASP A 33 -5.792 -18.121 -9.220 1.00 0.00 O ATOM 455 OD2 ASP A 33 -4.411 -16.819 -8.055 1.00 0.00 O ATOM 0 H ASP A 33 -7.294 -13.611 -9.880 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.070 -16.264 -8.976 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.153 -15.915 -10.515 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.363 -14.916 -9.312 1.00 0.00 H new ATOM 460 N SER A 34 -6.656 -13.940 -7.082 1.00 0.00 N ATOM 461 CA SER A 34 -6.403 -13.523 -5.713 1.00 0.00 C ATOM 462 C SER A 34 -7.720 -13.159 -5.025 1.00 0.00 C ATOM 463 O SER A 34 -7.814 -13.193 -3.799 1.00 0.00 O ATOM 464 CB SER A 34 -5.436 -12.339 -5.668 1.00 0.00 C ATOM 465 OG SER A 34 -4.159 -12.711 -5.155 1.00 0.00 O ATOM 0 H SER A 34 -6.399 -13.254 -7.792 1.00 0.00 H new ATOM 0 HA SER A 34 -5.941 -14.355 -5.182 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.318 -11.929 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.859 -11.549 -5.048 1.00 0.00 H new ATOM 0 HG SER A 34 -4.019 -12.284 -4.284 1.00 0.00 H new ATOM 471 N GLY A 35 -8.705 -12.818 -5.844 1.00 0.00 N ATOM 472 CA GLY A 35 -10.012 -12.448 -5.329 1.00 0.00 C ATOM 473 C GLY A 35 -10.545 -13.513 -4.368 1.00 0.00 C ATOM 474 O GLY A 35 -11.165 -13.187 -3.358 1.00 0.00 O ATOM 0 H GLY A 35 -8.624 -12.790 -6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.946 -11.489 -4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.709 -12.318 -6.157 1.00 0.00 H new ATOM 478 N SER A 36 -10.282 -14.764 -4.718 1.00 0.00 N ATOM 479 CA SER A 36 -10.728 -15.878 -3.899 1.00 0.00 C ATOM 480 C SER A 36 -10.577 -15.532 -2.416 1.00 0.00 C ATOM 481 O SER A 36 -11.522 -15.675 -1.643 1.00 0.00 O ATOM 482 CB SER A 36 -9.946 -17.151 -4.229 1.00 0.00 C ATOM 483 OG SER A 36 -10.569 -17.908 -5.264 1.00 0.00 O ATOM 0 H SER A 36 -9.766 -15.030 -5.557 1.00 0.00 H new ATOM 0 HA SER A 36 -11.780 -16.063 -4.117 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.934 -16.886 -4.533 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.859 -17.765 -3.333 1.00 0.00 H new ATOM 0 HG SER A 36 -10.038 -18.711 -5.446 1.00 0.00 H new ATOM 489 N ALA A 37 -9.381 -15.083 -2.066 1.00 0.00 N ATOM 490 CA ALA A 37 -9.094 -14.715 -0.689 1.00 0.00 C ATOM 491 C ALA A 37 -9.322 -13.213 -0.509 1.00 0.00 C ATOM 492 O ALA A 37 -9.787 -12.773 0.541 1.00 0.00 O ATOM 493 CB ALA A 37 -7.665 -15.134 -0.336 1.00 0.00 C ATOM 0 H ALA A 37 -8.600 -14.966 -2.711 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.765 -15.235 -0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.449 -14.858 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.563 -16.213 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.963 -14.630 -1.000 1.00 0.00 H new ATOM 499 N GLY A 38 -8.985 -12.466 -1.551 1.00 0.00 N ATOM 500 CA GLY A 38 -9.147 -11.023 -1.521 1.00 0.00 C ATOM 501 C GLY A 38 -7.817 -10.315 -1.786 1.00 0.00 C ATOM 502 O GLY A 38 -6.802 -10.966 -2.032 1.00 0.00 O ATOM 0 H GLY A 38 -8.600 -12.834 -2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.879 -10.720 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.538 -10.718 -0.551 1.00 0.00 H new ATOM 506 N LEU A 39 -7.864 -8.993 -1.726 1.00 0.00 N ATOM 507 CA LEU A 39 -6.675 -8.190 -1.956 1.00 0.00 C ATOM 508 C LEU A 39 -5.475 -8.859 -1.282 1.00 0.00 C ATOM 509 O LEU A 39 -4.575 -9.355 -1.959 1.00 0.00 O ATOM 510 CB LEU A 39 -6.907 -6.747 -1.505 1.00 0.00 C ATOM 511 CG LEU A 39 -7.664 -5.851 -2.488 1.00 0.00 C ATOM 512 CD1 LEU A 39 -8.207 -4.604 -1.787 1.00 0.00 C ATOM 513 CD2 LEU A 39 -6.788 -5.496 -3.692 1.00 0.00 C ATOM 0 H LEU A 39 -8.707 -8.457 -1.521 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.453 -8.135 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.456 -6.765 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.938 -6.291 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.522 -6.407 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.741 -3.985 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.888 -4.902 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.379 -4.036 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.349 -4.859 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.898 -4.967 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.492 -6.409 -4.208 1.00 0.00 H new ATOM 525 N GLY A 40 -5.501 -8.852 0.042 1.00 0.00 N ATOM 526 CA GLY A 40 -4.426 -9.452 0.815 1.00 0.00 C ATOM 527 C GLY A 40 -3.445 -8.387 1.309 1.00 0.00 C ATOM 528 O GLY A 40 -2.238 -8.618 1.343 1.00 0.00 O ATOM 0 H GLY A 40 -6.249 -8.440 0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.842 -9.991 1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.897 -10.183 0.203 1.00 0.00 H new ATOM 532 N VAL A 41 -4.001 -7.242 1.679 1.00 0.00 N ATOM 533 CA VAL A 41 -3.190 -6.141 2.170 1.00 0.00 C ATOM 534 C VAL A 41 -3.757 -5.649 3.503 1.00 0.00 C ATOM 535 O VAL A 41 -4.957 -5.761 3.749 1.00 0.00 O ATOM 536 CB VAL A 41 -3.109 -5.039 1.111 1.00 0.00 C ATOM 537 CG1 VAL A 41 -2.148 -5.428 -0.014 1.00 0.00 C ATOM 538 CG2 VAL A 41 -4.497 -4.708 0.558 1.00 0.00 C ATOM 0 H VAL A 41 -5.003 -7.053 1.648 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.168 -6.472 2.355 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.716 -4.142 1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.109 -4.627 -0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.152 -5.590 0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.497 -6.344 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.412 -3.922 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.929 -5.599 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.140 -4.367 1.369 1.00 0.00 H new ATOM 548 N SER A 42 -2.868 -5.116 4.327 1.00 0.00 N ATOM 549 CA SER A 42 -3.265 -4.607 5.629 1.00 0.00 C ATOM 550 C SER A 42 -3.143 -3.082 5.655 1.00 0.00 C ATOM 551 O SER A 42 -2.164 -2.526 5.159 1.00 0.00 O ATOM 552 CB SER A 42 -2.420 -5.226 6.744 1.00 0.00 C ATOM 553 OG SER A 42 -3.137 -5.312 7.973 1.00 0.00 O ATOM 0 H SER A 42 -1.874 -5.025 4.119 1.00 0.00 H new ATOM 0 HA SER A 42 -4.305 -4.885 5.801 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.096 -6.222 6.443 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.520 -4.629 6.891 1.00 0.00 H new ATOM 0 HG SER A 42 -2.564 -5.714 8.659 1.00 0.00 H new ATOM 559 N LEU A 43 -4.150 -2.449 6.237 1.00 0.00 N ATOM 560 CA LEU A 43 -4.167 -1.000 6.334 1.00 0.00 C ATOM 561 C LEU A 43 -4.108 -0.590 7.807 1.00 0.00 C ATOM 562 O LEU A 43 -4.346 -1.410 8.693 1.00 0.00 O ATOM 563 CB LEU A 43 -5.372 -0.427 5.584 1.00 0.00 C ATOM 564 CG LEU A 43 -5.730 -1.115 4.265 1.00 0.00 C ATOM 565 CD1 LEU A 43 -6.575 -0.197 3.380 1.00 0.00 C ATOM 566 CD2 LEU A 43 -4.474 -1.608 3.545 1.00 0.00 C ATOM 0 H LEU A 43 -4.961 -2.913 6.646 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.287 -0.576 5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.240 -0.473 6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.181 0.627 5.381 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.336 -1.992 4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.816 -0.710 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.497 0.062 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.015 0.712 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.757 -2.093 2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.821 -0.762 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.947 -2.321 4.179 1.00 0.00 H new ATOM 578 N LYS A 44 -3.790 0.678 8.023 1.00 0.00 N ATOM 579 CA LYS A 44 -3.697 1.206 9.374 1.00 0.00 C ATOM 580 C LYS A 44 -4.604 2.432 9.501 1.00 0.00 C ATOM 581 O LYS A 44 -4.635 3.280 8.611 1.00 0.00 O ATOM 582 CB LYS A 44 -2.237 1.480 9.742 1.00 0.00 C ATOM 583 CG LYS A 44 -1.796 2.858 9.245 1.00 0.00 C ATOM 584 CD LYS A 44 -0.342 2.829 8.768 1.00 0.00 C ATOM 585 CE LYS A 44 0.340 4.177 9.006 1.00 0.00 C ATOM 586 NZ LYS A 44 0.133 5.074 7.847 1.00 0.00 N ATOM 0 H LYS A 44 -3.594 1.355 7.286 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.051 0.471 10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.114 1.423 10.824 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.598 0.711 9.307 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.444 3.179 8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.905 3.590 10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.202 2.044 9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.309 2.583 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.061 4.640 9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.407 4.027 9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.122 6.062 8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.905 4.942 7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.775 4.849 7.392 1.00 0.00 H new ATOM 600 N GLY A 45 -5.319 2.486 10.615 1.00 0.00 N ATOM 601 CA GLY A 45 -6.224 3.593 10.870 1.00 0.00 C ATOM 602 C GLY A 45 -5.527 4.698 11.667 1.00 0.00 C ATOM 603 O GLY A 45 -4.969 4.443 12.732 1.00 0.00 O ATOM 0 H GLY A 45 -5.290 1.781 11.351 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.588 3.996 9.925 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.095 3.236 11.420 1.00 0.00 H new ATOM 607 N ASN A 46 -5.582 5.903 11.119 1.00 0.00 N ATOM 608 CA ASN A 46 -4.964 7.048 11.765 1.00 0.00 C ATOM 609 C ASN A 46 -6.054 7.966 12.320 1.00 0.00 C ATOM 610 O ASN A 46 -6.837 8.536 11.561 1.00 0.00 O ATOM 611 CB ASN A 46 -4.127 7.856 10.771 1.00 0.00 C ATOM 612 CG ASN A 46 -2.755 7.212 10.558 1.00 0.00 C ATOM 613 OD1 ASN A 46 -2.611 6.002 10.503 1.00 0.00 O ATOM 614 ND2 ASN A 46 -1.759 8.086 10.442 1.00 0.00 N ATOM 0 H ASN A 46 -6.045 6.111 10.234 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.320 6.677 12.562 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.653 7.924 9.818 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.001 8.874 11.139 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.805 7.756 10.297 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.949 9.087 10.498 1.00 0.00 H new ATOM 621 N LYS A 47 -6.071 8.082 13.640 1.00 0.00 N ATOM 622 CA LYS A 47 -7.052 8.921 14.305 1.00 0.00 C ATOM 623 C LYS A 47 -6.343 10.109 14.958 1.00 0.00 C ATOM 624 O LYS A 47 -5.239 9.966 15.482 1.00 0.00 O ATOM 625 CB LYS A 47 -7.891 8.094 15.282 1.00 0.00 C ATOM 626 CG LYS A 47 -8.375 8.952 16.452 1.00 0.00 C ATOM 627 CD LYS A 47 -7.389 8.891 17.621 1.00 0.00 C ATOM 628 CE LYS A 47 -8.063 9.311 18.929 1.00 0.00 C ATOM 629 NZ LYS A 47 -7.339 8.745 20.090 1.00 0.00 N ATOM 0 H LYS A 47 -5.420 7.608 14.267 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.757 9.329 13.580 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.748 7.668 14.760 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.300 7.260 15.659 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.494 9.985 16.125 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.355 8.607 16.780 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.997 7.879 17.718 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.540 9.544 17.419 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.085 10.398 19.001 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.098 8.970 18.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.809 9.040 20.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.340 7.707 20.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.358 9.091 20.089 1.00 0.00 H new ATOM 643 N SER A 48 -7.006 11.255 14.906 1.00 0.00 N ATOM 644 CA SER A 48 -6.452 12.467 15.485 1.00 0.00 C ATOM 645 C SER A 48 -7.006 12.673 16.896 1.00 0.00 C ATOM 646 O SER A 48 -8.202 12.501 17.129 1.00 0.00 O ATOM 647 CB SER A 48 -6.759 13.685 14.612 1.00 0.00 C ATOM 648 OG SER A 48 -5.572 14.325 14.151 1.00 0.00 O ATOM 0 H SER A 48 -7.922 11.370 14.472 1.00 0.00 H new ATOM 0 HA SER A 48 -5.369 12.356 15.539 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.360 13.376 13.757 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.357 14.397 15.181 1.00 0.00 H new ATOM 0 HG SER A 48 -5.780 15.243 13.879 1.00 0.00 H new ATOM 654 N ARG A 49 -6.111 13.037 17.802 1.00 0.00 N ATOM 655 CA ARG A 49 -6.495 13.268 19.184 1.00 0.00 C ATOM 656 C ARG A 49 -6.861 14.739 19.395 1.00 0.00 C ATOM 657 O ARG A 49 -7.574 15.076 20.339 1.00 0.00 O ATOM 658 CB ARG A 49 -5.364 12.889 20.142 1.00 0.00 C ATOM 659 CG ARG A 49 -5.863 12.834 21.587 1.00 0.00 C ATOM 660 CD ARG A 49 -4.755 13.226 22.565 1.00 0.00 C ATOM 661 NE ARG A 49 -4.789 12.340 23.750 1.00 0.00 N ATOM 662 CZ ARG A 49 -4.006 12.495 24.827 1.00 0.00 C ATOM 663 NH1 ARG A 49 -3.123 13.501 24.874 1.00 0.00 N ATOM 664 NH2 ARG A 49 -4.105 11.642 25.856 1.00 0.00 N ATOM 0 H ARG A 49 -5.120 13.178 17.606 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.361 12.640 19.396 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.952 11.920 19.859 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.555 13.615 20.060 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.713 13.505 21.708 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.216 11.828 21.816 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.784 13.154 22.075 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.881 14.264 22.873 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.450 11.563 23.747 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.046 14.149 24.090 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.527 13.619 25.694 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.776 10.875 25.820 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.509 11.760 26.675 1.00 0.00 H new ATOM 678 N GLU A 50 -6.356 15.575 18.500 1.00 0.00 N ATOM 679 CA GLU A 50 -6.621 17.002 18.576 1.00 0.00 C ATOM 680 C GLU A 50 -8.118 17.255 18.764 1.00 0.00 C ATOM 681 O GLU A 50 -8.517 18.027 19.634 1.00 0.00 O ATOM 682 CB GLU A 50 -6.095 17.724 17.334 1.00 0.00 C ATOM 683 CG GLU A 50 -5.070 18.795 17.715 1.00 0.00 C ATOM 684 CD GLU A 50 -5.762 20.046 18.261 1.00 0.00 C ATOM 685 OE1 GLU A 50 -6.007 20.070 19.486 1.00 0.00 O ATOM 686 OE2 GLU A 50 -6.031 20.949 17.440 1.00 0.00 O ATOM 0 H GLU A 50 -5.765 15.292 17.719 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.093 17.404 19.441 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.638 17.003 16.656 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.925 18.184 16.798 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.385 18.398 18.464 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.471 19.057 16.843 1.00 0.00 H new ATOM 693 N THR A 51 -8.907 16.589 17.933 1.00 0.00 N ATOM 694 CA THR A 51 -10.352 16.731 17.997 1.00 0.00 C ATOM 695 C THR A 51 -11.003 15.399 18.372 1.00 0.00 C ATOM 696 O THR A 51 -12.048 15.376 19.021 1.00 0.00 O ATOM 697 CB THR A 51 -10.832 17.286 16.654 1.00 0.00 C ATOM 698 OG1 THR A 51 -10.471 16.278 15.714 1.00 0.00 O ATOM 699 CG2 THR A 51 -10.035 18.514 16.209 1.00 0.00 C ATOM 0 H THR A 51 -8.573 15.950 17.212 1.00 0.00 H new ATOM 0 HA THR A 51 -10.647 17.431 18.779 1.00 0.00 H new ATOM 0 HB THR A 51 -11.888 17.546 16.725 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.367 16.680 14.826 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.416 18.868 15.251 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.137 19.303 16.954 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.983 18.247 16.105 1.00 0.00 H new ATOM 707 N GLY A 52 -10.359 14.322 17.948 1.00 0.00 N ATOM 708 CA GLY A 52 -10.863 12.989 18.231 1.00 0.00 C ATOM 709 C GLY A 52 -11.561 12.394 17.006 1.00 0.00 C ATOM 710 O GLY A 52 -12.348 11.457 17.130 1.00 0.00 O ATOM 0 H GLY A 52 -9.492 14.345 17.410 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.040 12.342 18.535 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.561 13.030 19.067 1.00 0.00 H new ATOM 714 N THR A 53 -11.248 12.964 15.852 1.00 0.00 N ATOM 715 CA THR A 53 -11.836 12.503 14.606 1.00 0.00 C ATOM 716 C THR A 53 -10.968 11.410 13.980 1.00 0.00 C ATOM 717 O THR A 53 -9.958 11.007 14.556 1.00 0.00 O ATOM 718 CB THR A 53 -12.031 13.718 13.697 1.00 0.00 C ATOM 719 OG1 THR A 53 -10.963 14.592 14.050 1.00 0.00 O ATOM 720 CG2 THR A 53 -13.292 14.512 14.045 1.00 0.00 C ATOM 0 H THR A 53 -10.595 13.741 15.754 1.00 0.00 H new ATOM 0 HA THR A 53 -12.811 12.045 14.774 1.00 0.00 H new ATOM 0 HB THR A 53 -12.083 13.390 12.659 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.243 15.168 14.791 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.384 15.363 13.371 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.167 13.870 13.940 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.225 14.869 15.073 1.00 0.00 H new ATOM 728 N ASP A 54 -11.392 10.960 12.808 1.00 0.00 N ATOM 729 CA ASP A 54 -10.666 9.921 12.097 1.00 0.00 C ATOM 730 C ASP A 54 -10.022 10.520 10.846 1.00 0.00 C ATOM 731 O ASP A 54 -10.713 10.833 9.877 1.00 0.00 O ATOM 732 CB ASP A 54 -11.606 8.797 11.654 1.00 0.00 C ATOM 733 CG ASP A 54 -12.980 9.259 11.164 1.00 0.00 C ATOM 734 OD1 ASP A 54 -13.000 10.062 10.206 1.00 0.00 O ATOM 735 OD2 ASP A 54 -13.978 8.798 11.758 1.00 0.00 O ATOM 0 H ASP A 54 -12.230 11.296 12.333 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.911 9.515 12.771 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.123 8.233 10.856 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.747 8.111 12.489 1.00 0.00 H new ATOM 740 N LEU A 55 -8.706 10.661 10.906 1.00 0.00 N ATOM 741 CA LEU A 55 -7.961 11.217 9.790 1.00 0.00 C ATOM 742 C LEU A 55 -8.311 10.447 8.515 1.00 0.00 C ATOM 743 O LEU A 55 -8.332 11.019 7.426 1.00 0.00 O ATOM 744 CB LEU A 55 -6.464 11.240 10.103 1.00 0.00 C ATOM 745 CG LEU A 55 -6.039 12.111 11.287 1.00 0.00 C ATOM 746 CD1 LEU A 55 -4.559 11.904 11.617 1.00 0.00 C ATOM 747 CD2 LEU A 55 -6.368 13.583 11.030 1.00 0.00 C ATOM 0 H LEU A 55 -8.136 10.400 11.711 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.244 12.256 9.623 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.137 10.218 10.294 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.933 11.584 9.215 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.610 11.801 12.162 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.283 12.535 12.462 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.386 10.859 11.873 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.952 12.171 10.752 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.056 14.180 11.887 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.841 13.923 10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.442 13.695 10.881 1.00 0.00 H new ATOM 759 N GLY A 56 -8.577 9.162 8.692 1.00 0.00 N ATOM 760 CA GLY A 56 -8.925 8.307 7.570 1.00 0.00 C ATOM 761 C GLY A 56 -8.136 6.997 7.612 1.00 0.00 C ATOM 762 O GLY A 56 -7.594 6.629 8.652 1.00 0.00 O ATOM 0 H GLY A 56 -8.559 8.691 9.597 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.994 8.093 7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.722 8.828 6.635 1.00 0.00 H new ATOM 766 N ILE A 57 -8.096 6.330 6.468 1.00 0.00 N ATOM 767 CA ILE A 57 -7.382 5.069 6.361 1.00 0.00 C ATOM 768 C ILE A 57 -6.030 5.310 5.687 1.00 0.00 C ATOM 769 O ILE A 57 -5.838 6.321 5.015 1.00 0.00 O ATOM 770 CB ILE A 57 -8.245 4.023 5.652 1.00 0.00 C ATOM 771 CG1 ILE A 57 -9.635 3.938 6.287 1.00 0.00 C ATOM 772 CG2 ILE A 57 -7.544 2.664 5.622 1.00 0.00 C ATOM 773 CD1 ILE A 57 -9.548 3.443 7.732 1.00 0.00 C ATOM 0 H ILE A 57 -8.547 6.639 5.607 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.177 4.661 7.351 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.383 4.337 4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.110 4.919 6.263 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.264 3.264 5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.178 1.939 5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.597 2.755 5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.356 2.329 6.642 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.549 3.392 8.160 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.094 2.452 7.750 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.938 4.132 8.317 1.00 0.00 H new ATOM 785 N PHE A 58 -5.127 4.362 5.891 1.00 0.00 N ATOM 786 CA PHE A 58 -3.797 4.458 5.312 1.00 0.00 C ATOM 787 C PHE A 58 -3.134 3.081 5.230 1.00 0.00 C ATOM 788 O PHE A 58 -3.039 2.374 6.232 1.00 0.00 O ATOM 789 CB PHE A 58 -2.971 5.355 6.235 1.00 0.00 C ATOM 790 CG PHE A 58 -3.469 6.800 6.309 1.00 0.00 C ATOM 791 CD1 PHE A 58 -4.494 7.125 7.141 1.00 0.00 C ATOM 792 CD2 PHE A 58 -2.886 7.760 5.542 1.00 0.00 C ATOM 793 CE1 PHE A 58 -4.956 8.465 7.209 1.00 0.00 C ATOM 794 CE2 PHE A 58 -3.348 9.101 5.609 1.00 0.00 C ATOM 795 CZ PHE A 58 -4.373 9.425 6.441 1.00 0.00 C ATOM 0 H PHE A 58 -5.290 3.524 6.449 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.859 4.862 4.302 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.975 4.928 7.238 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.936 5.355 5.893 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.957 6.363 7.750 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.071 7.502 4.882 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.770 8.723 7.870 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.885 9.863 4.999 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.725 10.445 6.492 1.00 0.00 H new ATOM 805 N ILE A 59 -2.693 2.743 4.028 1.00 0.00 N ATOM 806 CA ILE A 59 -2.042 1.464 3.802 1.00 0.00 C ATOM 807 C ILE A 59 -0.992 1.232 4.891 1.00 0.00 C ATOM 808 O ILE A 59 -0.367 2.178 5.367 1.00 0.00 O ATOM 809 CB ILE A 59 -1.479 1.392 2.381 1.00 0.00 C ATOM 810 CG1 ILE A 59 -2.589 1.571 1.343 1.00 0.00 C ATOM 811 CG2 ILE A 59 -0.696 0.096 2.166 1.00 0.00 C ATOM 812 CD1 ILE A 59 -2.044 1.400 -0.077 1.00 0.00 C ATOM 0 H ILE A 59 -2.774 3.333 3.200 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.764 0.651 3.875 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.778 2.216 2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.381 0.844 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.035 2.560 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.307 0.071 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.133 0.050 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.355 -0.758 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.853 1.532 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.270 2.144 -0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.621 0.401 -0.187 1.00 0.00 H new ATOM 824 N LYS A 60 -0.831 -0.032 5.253 1.00 0.00 N ATOM 825 CA LYS A 60 0.132 -0.400 6.277 1.00 0.00 C ATOM 826 C LYS A 60 1.375 -0.994 5.612 1.00 0.00 C ATOM 827 O LYS A 60 2.498 -0.591 5.914 1.00 0.00 O ATOM 828 CB LYS A 60 -0.513 -1.326 7.311 1.00 0.00 C ATOM 829 CG LYS A 60 0.451 -1.617 8.463 1.00 0.00 C ATOM 830 CD LYS A 60 0.417 -3.098 8.846 1.00 0.00 C ATOM 831 CE LYS A 60 0.240 -3.270 10.356 1.00 0.00 C ATOM 832 NZ LYS A 60 1.471 -3.825 10.962 1.00 0.00 N ATOM 0 H LYS A 60 -1.351 -0.814 4.856 1.00 0.00 H new ATOM 0 HA LYS A 60 0.456 0.482 6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.422 -0.866 7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.808 -2.261 6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.464 -1.336 8.174 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.185 -1.008 9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.400 -3.594 8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.341 -3.581 8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.004 -2.309 10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.602 -3.933 10.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.334 -3.935 11.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.679 -4.752 10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.266 -3.178 10.787 1.00 0.00 H new ATOM 846 N SER A 61 1.134 -1.942 4.718 1.00 0.00 N ATOM 847 CA SER A 61 2.221 -2.594 4.008 1.00 0.00 C ATOM 848 C SER A 61 1.657 -3.559 2.962 1.00 0.00 C ATOM 849 O SER A 61 0.572 -4.109 3.141 1.00 0.00 O ATOM 850 CB SER A 61 3.143 -3.339 4.975 1.00 0.00 C ATOM 851 OG SER A 61 4.452 -2.778 5.003 1.00 0.00 O ATOM 0 H SER A 61 0.202 -2.274 4.469 1.00 0.00 H new ATOM 0 HA SER A 61 2.811 -1.827 3.506 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.715 -3.312 5.977 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.204 -4.387 4.683 1.00 0.00 H new ATOM 0 HG SER A 61 4.402 -1.846 5.301 1.00 0.00 H new ATOM 857 N ILE A 62 2.420 -3.735 1.894 1.00 0.00 N ATOM 858 CA ILE A 62 2.011 -4.624 0.820 1.00 0.00 C ATOM 859 C ILE A 62 2.592 -6.017 1.067 1.00 0.00 C ATOM 860 O ILE A 62 3.754 -6.150 1.447 1.00 0.00 O ATOM 861 CB ILE A 62 2.390 -4.032 -0.540 1.00 0.00 C ATOM 862 CG1 ILE A 62 1.807 -2.627 -0.708 1.00 0.00 C ATOM 863 CG2 ILE A 62 1.975 -4.965 -1.679 1.00 0.00 C ATOM 864 CD1 ILE A 62 2.913 -1.570 -0.704 1.00 0.00 C ATOM 0 H ILE A 62 3.320 -3.277 1.749 1.00 0.00 H new ATOM 0 HA ILE A 62 0.926 -4.729 0.805 1.00 0.00 H new ATOM 0 HB ILE A 62 3.475 -3.937 -0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.249 -2.571 -1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.102 -2.423 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.256 -4.521 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.477 -5.925 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.896 -5.115 -1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.471 -0.581 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.454 -1.613 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.603 -1.762 -1.526 1.00 0.00 H new ATOM 876 N ILE A 63 1.757 -7.021 0.841 1.00 0.00 N ATOM 877 CA ILE A 63 2.173 -8.399 1.035 1.00 0.00 C ATOM 878 C ILE A 63 2.716 -8.953 -0.283 1.00 0.00 C ATOM 879 O ILE A 63 1.956 -9.193 -1.220 1.00 0.00 O ATOM 880 CB ILE A 63 1.030 -9.226 1.625 1.00 0.00 C ATOM 881 CG1 ILE A 63 0.881 -8.965 3.125 1.00 0.00 C ATOM 882 CG2 ILE A 63 1.214 -10.714 1.318 1.00 0.00 C ATOM 883 CD1 ILE A 63 0.096 -7.677 3.382 1.00 0.00 C ATOM 0 H ILE A 63 0.794 -6.907 0.525 1.00 0.00 H new ATOM 0 HA ILE A 63 2.983 -8.454 1.762 1.00 0.00 H new ATOM 0 HB ILE A 63 0.101 -8.911 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.371 -9.806 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.867 -8.892 3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.388 -11.279 1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.232 -10.863 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.154 -11.061 1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.004 -7.515 4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.621 -6.835 2.931 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.898 -7.763 2.942 1.00 0.00 H new ATOM 895 N HIS A 64 4.028 -9.140 -0.314 1.00 0.00 N ATOM 896 CA HIS A 64 4.682 -9.662 -1.503 1.00 0.00 C ATOM 897 C HIS A 64 4.214 -11.096 -1.758 1.00 0.00 C ATOM 898 O HIS A 64 3.607 -11.719 -0.888 1.00 0.00 O ATOM 899 CB HIS A 64 6.202 -9.547 -1.381 1.00 0.00 C ATOM 900 CG HIS A 64 6.754 -8.210 -1.816 1.00 0.00 C ATOM 901 ND1 HIS A 64 6.181 -6.972 -1.833 1.00 0.00 N flip ATOM 902 CD2 HIS A 64 8.039 -8.052 -2.304 1.00 0.00 C flip ATOM 903 CE1 HIS A 64 7.069 -6.105 -2.304 1.00 0.00 C flip ATOM 904 NE2 HIS A 64 8.222 -6.773 -2.597 1.00 0.00 N flip ATOM 0 H HIS A 64 4.656 -8.939 0.465 1.00 0.00 H new ATOM 0 HA HIS A 64 4.399 -9.065 -2.370 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.488 -9.727 -0.345 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.665 -10.332 -1.980 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.769 -8.838 -2.426 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.906 -5.045 -2.434 1.00 0.00 H new ATOM 0 HE2 HIS A 64 9.075 -6.360 -2.975 1.00 0.00 H new ATOM 912 N GLY A 65 4.516 -11.578 -2.955 1.00 0.00 N ATOM 913 CA GLY A 65 4.134 -12.928 -3.335 1.00 0.00 C ATOM 914 C GLY A 65 2.612 -13.076 -3.377 1.00 0.00 C ATOM 915 O GLY A 65 2.092 -14.191 -3.370 1.00 0.00 O ATOM 0 H GLY A 65 5.020 -11.059 -3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.553 -13.167 -4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.553 -13.642 -2.625 1.00 0.00 H new ATOM 919 N GLY A 66 1.939 -11.935 -3.419 1.00 0.00 N ATOM 920 CA GLY A 66 0.487 -11.924 -3.462 1.00 0.00 C ATOM 921 C GLY A 66 -0.020 -11.186 -4.703 1.00 0.00 C ATOM 922 O GLY A 66 0.687 -11.093 -5.705 1.00 0.00 O ATOM 0 H GLY A 66 2.373 -11.012 -3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.112 -12.947 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.097 -11.444 -2.565 1.00 0.00 H new ATOM 926 N ALA A 67 -1.240 -10.681 -4.595 1.00 0.00 N ATOM 927 CA ALA A 67 -1.849 -9.955 -5.696 1.00 0.00 C ATOM 928 C ALA A 67 -1.467 -8.476 -5.599 1.00 0.00 C ATOM 929 O ALA A 67 -1.099 -7.860 -6.598 1.00 0.00 O ATOM 930 CB ALA A 67 -3.364 -10.169 -5.673 1.00 0.00 C ATOM 0 H ALA A 67 -1.823 -10.760 -3.762 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.482 -10.328 -6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.821 -9.624 -6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.583 -11.232 -5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.769 -9.803 -4.729 1.00 0.00 H new ATOM 936 N ALA A 68 -1.568 -7.950 -4.388 1.00 0.00 N ATOM 937 CA ALA A 68 -1.238 -6.555 -4.147 1.00 0.00 C ATOM 938 C ALA A 68 0.230 -6.315 -4.503 1.00 0.00 C ATOM 939 O ALA A 68 0.589 -5.238 -4.978 1.00 0.00 O ATOM 940 CB ALA A 68 -1.552 -6.200 -2.693 1.00 0.00 C ATOM 0 H ALA A 68 -1.874 -8.465 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.841 -5.903 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.305 -5.154 -2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.613 -6.360 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.963 -6.832 -2.029 1.00 0.00 H new ATOM 946 N PHE A 69 1.040 -7.335 -4.261 1.00 0.00 N ATOM 947 CA PHE A 69 2.461 -7.248 -4.550 1.00 0.00 C ATOM 948 C PHE A 69 2.710 -6.477 -5.848 1.00 0.00 C ATOM 949 O PHE A 69 3.617 -5.649 -5.918 1.00 0.00 O ATOM 950 CB PHE A 69 2.972 -8.681 -4.715 1.00 0.00 C ATOM 951 CG PHE A 69 4.384 -8.774 -5.297 1.00 0.00 C ATOM 952 CD1 PHE A 69 5.364 -7.949 -4.840 1.00 0.00 C ATOM 953 CD2 PHE A 69 4.660 -9.682 -6.271 1.00 0.00 C ATOM 954 CE1 PHE A 69 6.675 -8.036 -5.380 1.00 0.00 C ATOM 955 CE2 PHE A 69 5.970 -9.769 -6.811 1.00 0.00 C ATOM 956 CZ PHE A 69 6.950 -8.944 -6.354 1.00 0.00 C ATOM 0 H PHE A 69 0.739 -8.227 -3.868 1.00 0.00 H new ATOM 0 HA PHE A 69 2.974 -6.724 -3.744 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.957 -9.175 -3.744 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.286 -9.228 -5.362 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.145 -7.228 -4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.882 -10.337 -6.634 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.453 -7.381 -5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.188 -10.490 -7.585 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.947 -9.010 -6.765 1.00 0.00 H new ATOM 966 N LYS A 70 1.889 -6.778 -6.844 1.00 0.00 N ATOM 967 CA LYS A 70 2.010 -6.123 -8.135 1.00 0.00 C ATOM 968 C LYS A 70 1.954 -4.607 -7.941 1.00 0.00 C ATOM 969 O LYS A 70 2.802 -3.880 -8.456 1.00 0.00 O ATOM 970 CB LYS A 70 0.955 -6.658 -9.107 1.00 0.00 C ATOM 971 CG LYS A 70 1.111 -8.167 -9.308 1.00 0.00 C ATOM 972 CD LYS A 70 -0.052 -8.733 -10.125 1.00 0.00 C ATOM 973 CE LYS A 70 0.405 -9.126 -11.531 1.00 0.00 C ATOM 974 NZ LYS A 70 -0.736 -9.107 -12.472 1.00 0.00 N ATOM 0 H LYS A 70 1.138 -7.466 -6.783 1.00 0.00 H new ATOM 0 HA LYS A 70 2.975 -6.351 -8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.042 -6.439 -8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.047 -6.148 -10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.053 -8.375 -9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.156 -8.664 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.468 -9.603 -9.617 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.849 -7.992 -10.192 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.178 -8.438 -11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.850 -10.121 -11.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.408 -9.376 -13.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.461 -9.781 -12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.143 -8.151 -12.505 1.00 0.00 H new ATOM 988 N ASP A 71 0.946 -4.174 -7.198 1.00 0.00 N ATOM 989 CA ASP A 71 0.768 -2.757 -6.929 1.00 0.00 C ATOM 990 C ASP A 71 1.693 -2.340 -5.784 1.00 0.00 C ATOM 991 O ASP A 71 1.887 -1.150 -5.540 1.00 0.00 O ATOM 992 CB ASP A 71 -0.671 -2.452 -6.510 1.00 0.00 C ATOM 993 CG ASP A 71 -1.040 -0.967 -6.498 1.00 0.00 C ATOM 994 OD1 ASP A 71 -0.294 -0.192 -7.133 1.00 0.00 O ATOM 995 OD2 ASP A 71 -2.061 -0.642 -5.854 1.00 0.00 O ATOM 0 H ASP A 71 0.244 -4.780 -6.774 1.00 0.00 H new ATOM 0 HA ASP A 71 1.001 -2.209 -7.842 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.349 -2.974 -7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.838 -2.860 -5.513 1.00 0.00 H new ATOM 1000 N GLY A 72 2.240 -3.342 -5.112 1.00 0.00 N ATOM 1001 CA GLY A 72 3.140 -3.094 -3.999 1.00 0.00 C ATOM 1002 C GLY A 72 4.049 -1.897 -4.285 1.00 0.00 C ATOM 1003 O GLY A 72 4.484 -1.209 -3.363 1.00 0.00 O ATOM 0 H GLY A 72 2.077 -4.328 -5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.562 -2.908 -3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.747 -3.980 -3.813 1.00 0.00 H new ATOM 1007 N ARG A 73 4.310 -1.686 -5.567 1.00 0.00 N ATOM 1008 CA ARG A 73 5.160 -0.584 -5.986 1.00 0.00 C ATOM 1009 C ARG A 73 4.926 0.636 -5.093 1.00 0.00 C ATOM 1010 O ARG A 73 5.846 1.414 -4.845 1.00 0.00 O ATOM 1011 CB ARG A 73 4.887 -0.202 -7.442 1.00 0.00 C ATOM 1012 CG ARG A 73 5.789 0.953 -7.884 1.00 0.00 C ATOM 1013 CD ARG A 73 5.047 1.895 -8.834 1.00 0.00 C ATOM 1014 NE ARG A 73 4.513 3.054 -8.084 1.00 0.00 N ATOM 1015 CZ ARG A 73 4.027 4.162 -8.659 1.00 0.00 C ATOM 1016 NH1 ARG A 73 4.004 4.269 -9.995 1.00 0.00 N ATOM 1017 NH2 ARG A 73 3.563 5.164 -7.899 1.00 0.00 N ATOM 0 H ARG A 73 3.948 -2.259 -6.329 1.00 0.00 H new ATOM 0 HA ARG A 73 6.196 -0.911 -5.896 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.054 -1.066 -8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.841 0.084 -7.557 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.131 1.507 -7.010 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.677 0.558 -8.378 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.721 2.239 -9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.232 1.362 -9.325 1.00 0.00 H new ATOM 0 HE ARG A 73 4.515 3.006 -7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.357 3.507 -10.574 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.634 5.113 -10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.580 5.083 -6.882 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.193 6.007 -8.337 1.00 0.00 H new ATOM 1031 N LEU A 74 3.689 0.766 -4.636 1.00 0.00 N ATOM 1032 CA LEU A 74 3.323 1.879 -3.776 1.00 0.00 C ATOM 1033 C LEU A 74 4.099 1.780 -2.462 1.00 0.00 C ATOM 1034 O LEU A 74 4.984 0.937 -2.322 1.00 0.00 O ATOM 1035 CB LEU A 74 1.805 1.935 -3.590 1.00 0.00 C ATOM 1036 CG LEU A 74 1.013 2.576 -4.732 1.00 0.00 C ATOM 1037 CD1 LEU A 74 -0.488 2.333 -4.562 1.00 0.00 C ATOM 1038 CD2 LEU A 74 1.342 4.065 -4.860 1.00 0.00 C ATOM 0 H LEU A 74 2.928 0.120 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 74 3.600 2.826 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.439 0.919 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.591 2.484 -2.673 1.00 0.00 H new ATOM 0 HG LEU A 74 1.313 2.099 -5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.028 2.799 -5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.685 1.261 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.822 2.766 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.766 4.496 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.089 4.575 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.406 4.186 -5.062 1.00 0.00 H new ATOM 1050 N ARG A 75 3.740 2.652 -1.531 1.00 0.00 N ATOM 1051 CA ARG A 75 4.392 2.673 -0.233 1.00 0.00 C ATOM 1052 C ARG A 75 3.365 2.921 0.873 1.00 0.00 C ATOM 1053 O ARG A 75 2.536 3.824 0.765 1.00 0.00 O ATOM 1054 CB ARG A 75 5.467 3.760 -0.174 1.00 0.00 C ATOM 1055 CG ARG A 75 4.928 5.093 -0.699 1.00 0.00 C ATOM 1056 CD ARG A 75 4.245 5.886 0.417 1.00 0.00 C ATOM 1057 NE ARG A 75 4.866 7.223 0.541 1.00 0.00 N ATOM 1058 CZ ARG A 75 5.998 7.466 1.216 1.00 0.00 C ATOM 1059 NH1 ARG A 75 6.640 6.464 1.831 1.00 0.00 N ATOM 1060 NH2 ARG A 75 6.489 8.712 1.275 1.00 0.00 N ATOM 0 H ARG A 75 3.005 3.350 -1.650 1.00 0.00 H new ATOM 0 HA ARG A 75 4.864 1.702 -0.084 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.810 3.882 0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.331 3.455 -0.765 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.745 5.680 -1.119 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.219 4.910 -1.506 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.181 5.989 0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.330 5.348 1.361 1.00 0.00 H new ATOM 0 HE ARG A 75 4.404 8.009 0.084 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.267 5.516 1.786 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.502 6.649 2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.001 9.475 0.806 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.351 8.897 1.789 1.00 0.00 H new ATOM 1074 N MET A 76 3.453 2.104 1.912 1.00 0.00 N ATOM 1075 CA MET A 76 2.541 2.223 3.037 1.00 0.00 C ATOM 1076 C MET A 76 2.258 3.692 3.360 1.00 0.00 C ATOM 1077 O MET A 76 3.032 4.573 2.990 1.00 0.00 O ATOM 1078 CB MET A 76 3.150 1.539 4.263 1.00 0.00 C ATOM 1079 CG MET A 76 4.551 2.080 4.553 1.00 0.00 C ATOM 1080 SD MET A 76 5.723 0.735 4.618 1.00 0.00 S ATOM 1081 CE MET A 76 7.248 1.658 4.728 1.00 0.00 C ATOM 0 H MET A 76 4.142 1.357 1.999 1.00 0.00 H new ATOM 0 HA MET A 76 1.600 1.741 2.771 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.508 1.699 5.129 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.199 0.463 4.097 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.843 2.791 3.780 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.552 2.621 5.499 1.00 0.00 H new ATOM 0 HE1 MET A 76 8.089 0.966 4.777 1.00 0.00 H new ATOM 0 HE2 MET A 76 7.352 2.294 3.849 1.00 0.00 H new ATOM 0 HE3 MET A 76 7.235 2.277 5.625 1.00 0.00 H new ATOM 1091 N ASN A 77 1.146 3.910 4.048 1.00 0.00 N ATOM 1092 CA ASN A 77 0.752 5.257 4.425 1.00 0.00 C ATOM 1093 C ASN A 77 0.151 5.966 3.210 1.00 0.00 C ATOM 1094 O ASN A 77 0.528 7.094 2.896 1.00 0.00 O ATOM 1095 CB ASN A 77 1.956 6.071 4.900 1.00 0.00 C ATOM 1096 CG ASN A 77 2.929 5.198 5.695 1.00 0.00 C ATOM 1097 OD1 ASN A 77 2.547 4.269 6.387 1.00 0.00 O ATOM 1098 ND2 ASN A 77 4.205 5.547 5.558 1.00 0.00 N ATOM 0 H ASN A 77 0.506 3.177 4.354 1.00 0.00 H new ATOM 0 HA ASN A 77 0.026 5.182 5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.469 6.504 4.041 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.617 6.901 5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.932 5.026 6.048 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.457 6.336 4.962 1.00 0.00 H new ATOM 1105 N ASP A 78 -0.775 5.276 2.559 1.00 0.00 N ATOM 1106 CA ASP A 78 -1.431 5.826 1.386 1.00 0.00 C ATOM 1107 C ASP A 78 -2.904 6.090 1.707 1.00 0.00 C ATOM 1108 O ASP A 78 -3.730 5.181 1.640 1.00 0.00 O ATOM 1109 CB ASP A 78 -1.372 4.847 0.211 1.00 0.00 C ATOM 1110 CG ASP A 78 -0.059 4.857 -0.573 1.00 0.00 C ATOM 1111 OD1 ASP A 78 0.840 5.624 -0.165 1.00 0.00 O ATOM 1112 OD2 ASP A 78 0.017 4.098 -1.563 1.00 0.00 O ATOM 0 H ASP A 78 -1.086 4.341 2.822 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.917 6.748 1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.545 3.839 0.588 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -2.189 5.075 -0.474 1.00 0.00 H new ATOM 1117 N GLN A 79 -3.187 7.338 2.050 1.00 0.00 N ATOM 1118 CA GLN A 79 -4.546 7.733 2.382 1.00 0.00 C ATOM 1119 C GLN A 79 -5.507 7.320 1.265 1.00 0.00 C ATOM 1120 O GLN A 79 -5.267 7.614 0.095 1.00 0.00 O ATOM 1121 CB GLN A 79 -4.630 9.237 2.649 1.00 0.00 C ATOM 1122 CG GLN A 79 -5.915 9.589 3.400 1.00 0.00 C ATOM 1123 CD GLN A 79 -5.866 11.024 3.929 1.00 0.00 C ATOM 1124 OE1 GLN A 79 -4.925 11.765 3.699 1.00 0.00 O ATOM 1125 NE2 GLN A 79 -6.928 11.372 4.650 1.00 0.00 N ATOM 0 H GLN A 79 -2.499 8.089 2.105 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.840 7.218 3.296 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.765 9.556 3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.596 9.780 1.705 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.772 9.471 2.737 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.057 8.896 4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.681 10.702 4.804 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.989 12.309 5.049 1.00 0.00 H new ATOM 1134 N LEU A 80 -6.574 6.645 1.666 1.00 0.00 N ATOM 1135 CA LEU A 80 -7.572 6.189 0.713 1.00 0.00 C ATOM 1136 C LEU A 80 -8.693 7.226 0.620 1.00 0.00 C ATOM 1137 O LEU A 80 -9.684 7.141 1.344 1.00 0.00 O ATOM 1138 CB LEU A 80 -8.060 4.786 1.079 1.00 0.00 C ATOM 1139 CG LEU A 80 -7.072 3.645 0.831 1.00 0.00 C ATOM 1140 CD1 LEU A 80 -5.999 3.602 1.921 1.00 0.00 C ATOM 1141 CD2 LEU A 80 -7.802 2.308 0.691 1.00 0.00 C ATOM 0 H LEU A 80 -6.769 6.403 2.637 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.137 6.100 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.332 4.782 2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.970 4.581 0.515 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.563 3.833 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.310 2.782 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.450 4.544 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.472 3.450 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.076 1.514 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.355 2.098 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.495 2.358 -0.149 1.00 0.00 H new ATOM 1153 N ILE A 81 -8.500 8.181 -0.278 1.00 0.00 N ATOM 1154 CA ILE A 81 -9.482 9.233 -0.475 1.00 0.00 C ATOM 1155 C ILE A 81 -10.763 8.627 -1.051 1.00 0.00 C ATOM 1156 O ILE A 81 -11.798 9.289 -1.105 1.00 0.00 O ATOM 1157 CB ILE A 81 -8.897 10.360 -1.328 1.00 0.00 C ATOM 1158 CG1 ILE A 81 -8.375 9.823 -2.662 1.00 0.00 C ATOM 1159 CG2 ILE A 81 -7.820 11.128 -0.559 1.00 0.00 C ATOM 1160 CD1 ILE A 81 -8.206 10.953 -3.680 1.00 0.00 C ATOM 0 H ILE A 81 -7.677 8.248 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 81 -9.746 9.691 0.478 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.696 11.066 -1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.419 9.322 -2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.066 9.077 -3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.421 11.923 -1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.255 11.562 0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.016 10.447 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -7.834 10.544 -4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.168 11.436 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.495 11.685 -3.296 1.00 0.00 H new ATOM 1172 N ALA A 82 -10.652 7.374 -1.468 1.00 0.00 N ATOM 1173 CA ALA A 82 -11.788 6.671 -2.039 1.00 0.00 C ATOM 1174 C ALA A 82 -11.346 5.278 -2.491 1.00 0.00 C ATOM 1175 O ALA A 82 -10.201 4.885 -2.272 1.00 0.00 O ATOM 1176 CB ALA A 82 -12.376 7.497 -3.185 1.00 0.00 C ATOM 0 H ALA A 82 -9.792 6.827 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.573 6.542 -1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.228 6.970 -3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.702 8.465 -2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.617 7.645 -3.953 1.00 0.00 H new ATOM 1182 N VAL A 83 -12.277 4.570 -3.113 1.00 0.00 N ATOM 1183 CA VAL A 83 -11.998 3.229 -3.597 1.00 0.00 C ATOM 1184 C VAL A 83 -13.092 2.809 -4.581 1.00 0.00 C ATOM 1185 O VAL A 83 -14.268 2.761 -4.224 1.00 0.00 O ATOM 1186 CB VAL A 83 -11.853 2.265 -2.418 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -13.024 2.411 -1.444 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -11.719 0.821 -2.903 1.00 0.00 C ATOM 0 H VAL A 83 -13.225 4.900 -3.293 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.050 3.207 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 83 -10.939 2.524 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.897 1.715 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.053 3.431 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.958 2.192 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.617 0.157 -2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.606 0.545 -3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.838 0.731 -3.538 1.00 0.00 H new ATOM 1198 N ASN A 84 -12.665 2.515 -5.801 1.00 0.00 N ATOM 1199 CA ASN A 84 -13.594 2.100 -6.839 1.00 0.00 C ATOM 1200 C ASN A 84 -14.636 3.199 -7.053 1.00 0.00 C ATOM 1201 O ASN A 84 -15.743 2.928 -7.517 1.00 0.00 O ATOM 1202 CB ASN A 84 -14.331 0.820 -6.439 1.00 0.00 C ATOM 1203 CG ASN A 84 -13.344 -0.287 -6.064 1.00 0.00 C ATOM 1204 OD1 ASN A 84 -12.158 -0.063 -5.888 1.00 0.00 O ATOM 1205 ND2 ASN A 84 -13.899 -1.490 -5.952 1.00 0.00 N ATOM 0 H ASN A 84 -11.689 2.556 -6.094 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.023 1.917 -7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -14.991 1.025 -5.596 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.961 0.486 -7.263 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.324 -2.296 -5.705 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.899 -1.607 -6.113 1.00 0.00 H new ATOM 1212 N GLY A 85 -14.246 4.416 -6.705 1.00 0.00 N ATOM 1213 CA GLY A 85 -15.133 5.558 -6.853 1.00 0.00 C ATOM 1214 C GLY A 85 -15.913 5.817 -5.563 1.00 0.00 C ATOM 1215 O GLY A 85 -16.601 6.830 -5.442 1.00 0.00 O ATOM 0 H GLY A 85 -13.327 4.637 -6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.552 6.442 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.828 5.379 -7.673 1.00 0.00 H new ATOM 1219 N GLU A 86 -15.780 4.885 -4.631 1.00 0.00 N ATOM 1220 CA GLU A 86 -16.464 5.000 -3.354 1.00 0.00 C ATOM 1221 C GLU A 86 -15.597 5.769 -2.355 1.00 0.00 C ATOM 1222 O GLU A 86 -14.458 5.385 -2.091 1.00 0.00 O ATOM 1223 CB GLU A 86 -16.840 3.622 -2.807 1.00 0.00 C ATOM 1224 CG GLU A 86 -17.405 3.730 -1.389 1.00 0.00 C ATOM 1225 CD GLU A 86 -18.865 3.276 -1.345 1.00 0.00 C ATOM 1226 OE1 GLU A 86 -19.080 2.046 -1.419 1.00 0.00 O ATOM 1227 OE2 GLU A 86 -19.734 4.168 -1.238 1.00 0.00 O ATOM 0 H GLU A 86 -15.209 4.047 -4.735 1.00 0.00 H new ATOM 0 HA GLU A 86 -17.388 5.557 -3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.577 3.156 -3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.962 2.976 -2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.810 3.120 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.330 4.760 -1.041 1.00 0.00 H new ATOM 1234 N THR A 87 -16.168 6.841 -1.826 1.00 0.00 N ATOM 1235 CA THR A 87 -15.461 7.667 -0.862 1.00 0.00 C ATOM 1236 C THR A 87 -15.108 6.851 0.382 1.00 0.00 C ATOM 1237 O THR A 87 -15.626 5.752 0.576 1.00 0.00 O ATOM 1238 CB THR A 87 -16.330 8.890 -0.560 1.00 0.00 C ATOM 1239 OG1 THR A 87 -15.397 9.962 -0.458 1.00 0.00 O ATOM 1240 CG2 THR A 87 -16.974 8.823 0.826 1.00 0.00 C ATOM 0 H THR A 87 -17.112 7.157 -2.047 1.00 0.00 H new ATOM 0 HA THR A 87 -14.510 8.017 -1.263 1.00 0.00 H new ATOM 0 HB THR A 87 -17.109 8.978 -1.318 1.00 0.00 H new ATOM 0 HG1 THR A 87 -15.876 10.795 -0.265 1.00 0.00 H new ATOM 0 HG21 THR A 87 -17.579 9.715 0.989 1.00 0.00 H new ATOM 0 HG22 THR A 87 -17.607 7.938 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.195 8.769 1.587 1.00 0.00 H new ATOM 1248 N LEU A 88 -14.229 7.419 1.195 1.00 0.00 N ATOM 1249 CA LEU A 88 -13.801 6.758 2.415 1.00 0.00 C ATOM 1250 C LEU A 88 -13.647 7.798 3.527 1.00 0.00 C ATOM 1251 O LEU A 88 -14.113 7.589 4.646 1.00 0.00 O ATOM 1252 CB LEU A 88 -12.535 5.936 2.163 1.00 0.00 C ATOM 1253 CG LEU A 88 -12.693 4.728 1.237 1.00 0.00 C ATOM 1254 CD1 LEU A 88 -11.333 4.243 0.731 1.00 0.00 C ATOM 1255 CD2 LEU A 88 -13.482 3.611 1.922 1.00 0.00 C ATOM 0 H LEU A 88 -13.802 8.331 1.032 1.00 0.00 H new ATOM 0 HA LEU A 88 -14.556 6.045 2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -11.776 6.595 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.156 5.586 3.123 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.268 5.039 0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -11.474 3.384 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -10.843 5.045 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -10.711 3.954 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -13.580 2.765 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -12.956 3.294 2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.473 3.977 2.190 1.00 0.00 H new ATOM 1267 N LEU A 89 -12.992 8.896 3.180 1.00 0.00 N ATOM 1268 CA LEU A 89 -12.771 9.969 4.134 1.00 0.00 C ATOM 1269 C LEU A 89 -14.096 10.320 4.816 1.00 0.00 C ATOM 1270 O LEU A 89 -14.123 10.630 6.006 1.00 0.00 O ATOM 1271 CB LEU A 89 -12.095 11.161 3.454 1.00 0.00 C ATOM 1272 CG LEU A 89 -11.007 10.821 2.433 1.00 0.00 C ATOM 1273 CD1 LEU A 89 -10.094 12.023 2.185 1.00 0.00 C ATOM 1274 CD2 LEU A 89 -10.219 9.582 2.862 1.00 0.00 C ATOM 0 H LEU A 89 -12.607 9.066 2.251 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.084 9.647 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.862 11.752 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.657 11.794 4.226 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.491 10.582 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.330 11.755 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.684 12.856 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.617 12.316 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.453 9.363 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.747 9.767 3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.896 8.732 2.947 1.00 0.00 H new ATOM 1286 N GLY A 90 -15.162 10.260 4.031 1.00 0.00 N ATOM 1287 CA GLY A 90 -16.486 10.568 4.544 1.00 0.00 C ATOM 1288 C GLY A 90 -16.919 9.543 5.595 1.00 0.00 C ATOM 1289 O GLY A 90 -17.726 9.851 6.471 1.00 0.00 O ATOM 0 H GLY A 90 -15.136 10.003 3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -16.487 11.566 4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -17.204 10.579 3.724 1.00 0.00 H new ATOM 1293 N LYS A 91 -16.363 8.347 5.472 1.00 0.00 N ATOM 1294 CA LYS A 91 -16.682 7.275 6.401 1.00 0.00 C ATOM 1295 C LYS A 91 -15.701 7.314 7.574 1.00 0.00 C ATOM 1296 O LYS A 91 -14.927 8.261 7.710 1.00 0.00 O ATOM 1297 CB LYS A 91 -16.718 5.930 5.674 1.00 0.00 C ATOM 1298 CG LYS A 91 -17.226 6.094 4.240 1.00 0.00 C ATOM 1299 CD LYS A 91 -17.380 4.736 3.553 1.00 0.00 C ATOM 1300 CE LYS A 91 -18.518 4.764 2.531 1.00 0.00 C ATOM 1301 NZ LYS A 91 -19.412 3.599 2.719 1.00 0.00 N ATOM 0 H LYS A 91 -15.694 8.096 4.744 1.00 0.00 H new ATOM 0 HA LYS A 91 -17.680 7.414 6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.720 5.493 5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -17.363 5.238 6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -18.185 6.612 4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.532 6.715 3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.447 4.468 3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.576 3.967 4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -19.087 5.688 2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.108 4.756 1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.129 3.587 1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.853 2.723 2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -19.883 3.668 3.644 1.00 0.00 H new ATOM 1315 N SER A 92 -15.765 6.274 8.392 1.00 0.00 N ATOM 1316 CA SER A 92 -14.892 6.178 9.550 1.00 0.00 C ATOM 1317 C SER A 92 -13.745 5.206 9.261 1.00 0.00 C ATOM 1318 O SER A 92 -13.559 4.782 8.121 1.00 0.00 O ATOM 1319 CB SER A 92 -15.668 5.729 10.789 1.00 0.00 C ATOM 1320 OG SER A 92 -15.160 6.322 11.981 1.00 0.00 O ATOM 0 H SER A 92 -16.408 5.490 8.276 1.00 0.00 H new ATOM 0 HA SER A 92 -14.480 7.167 9.751 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.720 5.992 10.673 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.618 4.643 10.874 1.00 0.00 H new ATOM 0 HG SER A 92 -14.766 7.194 11.770 1.00 0.00 H new ATOM 1326 N ASN A 93 -13.008 4.882 10.313 1.00 0.00 N ATOM 1327 CA ASN A 93 -11.885 3.969 10.186 1.00 0.00 C ATOM 1328 C ASN A 93 -12.410 2.546 9.984 1.00 0.00 C ATOM 1329 O ASN A 93 -11.745 1.717 9.365 1.00 0.00 O ATOM 1330 CB ASN A 93 -11.022 3.979 11.449 1.00 0.00 C ATOM 1331 CG ASN A 93 -10.145 5.232 11.505 1.00 0.00 C ATOM 1332 OD1 ASN A 93 -9.692 5.748 10.497 1.00 0.00 O ATOM 1333 ND2 ASN A 93 -9.933 5.689 12.735 1.00 0.00 N ATOM 0 H ASN A 93 -13.166 5.235 11.257 1.00 0.00 H new ATOM 0 HA ASN A 93 -11.284 4.290 9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -11.661 3.939 12.331 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.393 3.089 11.471 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.360 6.521 12.878 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.343 5.208 13.536 1.00 0.00 H new ATOM 1340 N HIS A 94 -13.599 2.308 10.517 1.00 0.00 N ATOM 1341 CA HIS A 94 -14.222 1.000 10.403 1.00 0.00 C ATOM 1342 C HIS A 94 -14.972 0.903 9.073 1.00 0.00 C ATOM 1343 O HIS A 94 -14.578 0.145 8.188 1.00 0.00 O ATOM 1344 CB HIS A 94 -15.117 0.717 11.611 1.00 0.00 C ATOM 1345 CG HIS A 94 -15.985 1.883 12.018 1.00 0.00 C ATOM 1346 ND1 HIS A 94 -15.502 2.963 12.736 1.00 0.00 N ATOM 1347 CD2 HIS A 94 -17.309 2.127 11.800 1.00 0.00 C ATOM 1348 CE1 HIS A 94 -16.499 3.812 12.937 1.00 0.00 C ATOM 1349 NE2 HIS A 94 -17.618 3.292 12.356 1.00 0.00 N ATOM 0 H HIS A 94 -14.148 2.999 11.029 1.00 0.00 H new ATOM 0 HA HIS A 94 -13.454 0.226 10.404 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -15.756 -0.137 11.385 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.490 0.431 12.456 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -17.990 1.482 11.266 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -16.437 4.751 13.468 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -18.541 3.727 12.350 1.00 0.00 H new ATOM 1357 N GLU A 95 -16.040 1.681 8.975 1.00 0.00 N ATOM 1358 CA GLU A 95 -16.849 1.693 7.768 1.00 0.00 C ATOM 1359 C GLU A 95 -15.954 1.616 6.529 1.00 0.00 C ATOM 1360 O GLU A 95 -16.028 0.655 5.764 1.00 0.00 O ATOM 1361 CB GLU A 95 -17.746 2.931 7.721 1.00 0.00 C ATOM 1362 CG GLU A 95 -18.609 3.031 8.980 1.00 0.00 C ATOM 1363 CD GLU A 95 -19.972 3.650 8.663 1.00 0.00 C ATOM 1364 OE1 GLU A 95 -20.672 3.070 7.805 1.00 0.00 O ATOM 1365 OE2 GLU A 95 -20.282 4.688 9.285 1.00 0.00 O ATOM 0 H GLU A 95 -16.364 2.308 9.712 1.00 0.00 H new ATOM 0 HA GLU A 95 -17.497 0.817 7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -17.132 3.826 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -18.386 2.888 6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -18.747 2.039 9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -18.097 3.635 9.729 1.00 0.00 H new ATOM 1372 N ALA A 96 -15.131 2.641 6.368 1.00 0.00 N ATOM 1373 CA ALA A 96 -14.223 2.702 5.235 1.00 0.00 C ATOM 1374 C ALA A 96 -13.651 1.308 4.970 1.00 0.00 C ATOM 1375 O ALA A 96 -13.977 0.681 3.963 1.00 0.00 O ATOM 1376 CB ALA A 96 -13.132 3.738 5.510 1.00 0.00 C ATOM 0 H ALA A 96 -15.074 3.437 7.004 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.752 3.017 4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.451 3.784 4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.589 4.716 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -12.577 3.454 6.404 1.00 0.00 H new ATOM 1382 N MET A 97 -12.808 0.865 5.891 1.00 0.00 N ATOM 1383 CA MET A 97 -12.187 -0.443 5.769 1.00 0.00 C ATOM 1384 C MET A 97 -13.229 -1.516 5.444 1.00 0.00 C ATOM 1385 O MET A 97 -12.924 -2.497 4.767 1.00 0.00 O ATOM 1386 CB MET A 97 -11.482 -0.798 7.080 1.00 0.00 C ATOM 1387 CG MET A 97 -10.121 -0.105 7.174 1.00 0.00 C ATOM 1388 SD MET A 97 -9.053 -0.675 5.862 1.00 0.00 S ATOM 1389 CE MET A 97 -8.266 -2.053 6.680 1.00 0.00 C ATOM 0 H MET A 97 -12.540 1.388 6.725 1.00 0.00 H new ATOM 0 HA MET A 97 -11.463 -0.406 4.955 1.00 0.00 H new ATOM 0 HB2 MET A 97 -12.105 -0.501 7.924 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.350 -1.878 7.145 1.00 0.00 H new ATOM 0 HG2 MET A 97 -10.249 0.975 7.107 1.00 0.00 H new ATOM 0 HG3 MET A 97 -9.664 -0.312 8.142 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.803 -2.701 5.936 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.503 -1.682 7.364 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.011 -2.618 7.240 1.00 0.00 H new ATOM 1399 N GLU A 98 -14.436 -1.294 5.941 1.00 0.00 N ATOM 1400 CA GLU A 98 -15.524 -2.229 5.712 1.00 0.00 C ATOM 1401 C GLU A 98 -15.964 -2.183 4.247 1.00 0.00 C ATOM 1402 O GLU A 98 -16.458 -3.174 3.712 1.00 0.00 O ATOM 1403 CB GLU A 98 -16.701 -1.942 6.647 1.00 0.00 C ATOM 1404 CG GLU A 98 -17.926 -1.475 5.859 1.00 0.00 C ATOM 1405 CD GLU A 98 -18.585 -2.646 5.127 1.00 0.00 C ATOM 1406 OE1 GLU A 98 -18.529 -3.765 5.680 1.00 0.00 O ATOM 1407 OE2 GLU A 98 -19.131 -2.395 4.031 1.00 0.00 O ATOM 0 H GLU A 98 -14.685 -0.479 6.502 1.00 0.00 H new ATOM 0 HA GLU A 98 -15.165 -3.234 5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -16.949 -2.841 7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -16.417 -1.178 7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -18.645 -1.014 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -17.631 -0.711 5.140 1.00 0.00 H new ATOM 1414 N THR A 99 -15.769 -1.021 3.640 1.00 0.00 N ATOM 1415 CA THR A 99 -16.140 -0.833 2.248 1.00 0.00 C ATOM 1416 C THR A 99 -15.128 -1.521 1.329 1.00 0.00 C ATOM 1417 O THR A 99 -15.511 -2.226 0.397 1.00 0.00 O ATOM 1418 CB THR A 99 -16.268 0.670 1.992 1.00 0.00 C ATOM 1419 OG1 THR A 99 -17.531 1.012 2.557 1.00 0.00 O ATOM 1420 CG2 THR A 99 -16.423 1.000 0.506 1.00 0.00 C ATOM 0 H THR A 99 -15.359 -0.201 4.087 1.00 0.00 H new ATOM 0 HA THR A 99 -17.101 -1.298 2.028 1.00 0.00 H new ATOM 0 HB THR A 99 -15.390 1.181 2.388 1.00 0.00 H new ATOM 0 HG1 THR A 99 -17.393 1.552 3.363 1.00 0.00 H new ATOM 0 HG21 THR A 99 -16.510 2.079 0.380 1.00 0.00 H new ATOM 0 HG22 THR A 99 -15.551 0.640 -0.040 1.00 0.00 H new ATOM 0 HG23 THR A 99 -17.319 0.516 0.117 1.00 0.00 H new ATOM 1428 N LEU A 100 -13.857 -1.292 1.625 1.00 0.00 N ATOM 1429 CA LEU A 100 -12.788 -1.882 0.837 1.00 0.00 C ATOM 1430 C LEU A 100 -13.067 -3.373 0.642 1.00 0.00 C ATOM 1431 O LEU A 100 -13.344 -3.816 -0.472 1.00 0.00 O ATOM 1432 CB LEU A 100 -11.428 -1.589 1.474 1.00 0.00 C ATOM 1433 CG LEU A 100 -10.215 -1.708 0.551 1.00 0.00 C ATOM 1434 CD1 LEU A 100 -10.090 -0.480 -0.352 1.00 0.00 C ATOM 1435 CD2 LEU A 100 -8.937 -1.962 1.354 1.00 0.00 C ATOM 0 H LEU A 100 -13.543 -0.706 2.399 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.753 -1.432 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.451 -0.579 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.288 -2.270 2.314 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.364 -2.571 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.219 -0.591 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.987 -0.386 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.975 0.413 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.090 -2.043 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.771 -1.135 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.039 -2.890 1.917 1.00 0.00 H new ATOM 1447 N ARG A 101 -12.984 -4.107 1.742 1.00 0.00 N ATOM 1448 CA ARG A 101 -13.224 -5.540 1.706 1.00 0.00 C ATOM 1449 C ARG A 101 -14.543 -5.839 0.991 1.00 0.00 C ATOM 1450 O ARG A 101 -14.751 -6.949 0.503 1.00 0.00 O ATOM 1451 CB ARG A 101 -13.272 -6.126 3.118 1.00 0.00 C ATOM 1452 CG ARG A 101 -14.652 -5.926 3.747 1.00 0.00 C ATOM 1453 CD ARG A 101 -14.584 -6.055 5.270 1.00 0.00 C ATOM 1454 NE ARG A 101 -15.908 -5.760 5.863 1.00 0.00 N ATOM 1455 CZ ARG A 101 -16.155 -5.745 7.180 1.00 0.00 C ATOM 1456 NH1 ARG A 101 -15.170 -6.008 8.049 1.00 0.00 N ATOM 1457 NH2 ARG A 101 -17.387 -5.467 7.628 1.00 0.00 N ATOM 0 H ARG A 101 -12.754 -3.736 2.664 1.00 0.00 H new ATOM 0 HA ARG A 101 -12.400 -6.001 1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -13.035 -7.189 3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -12.513 -5.651 3.739 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -15.039 -4.943 3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -15.348 -6.663 3.347 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.270 -7.062 5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.837 -5.369 5.668 1.00 0.00 H new ATOM 0 HE ARG A 101 -16.681 -5.555 5.229 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -14.232 -6.220 7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.358 -5.997 9.051 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -18.137 -5.267 6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -17.575 -5.456 8.631 1.00 0.00 H new ATOM 1471 N ARG A 102 -15.400 -4.830 0.952 1.00 0.00 N ATOM 1472 CA ARG A 102 -16.694 -4.971 0.305 1.00 0.00 C ATOM 1473 C ARG A 102 -16.538 -4.899 -1.215 1.00 0.00 C ATOM 1474 O ARG A 102 -16.959 -5.807 -1.930 1.00 0.00 O ATOM 1475 CB ARG A 102 -17.661 -3.878 0.764 1.00 0.00 C ATOM 1476 CG ARG A 102 -19.109 -4.372 0.717 1.00 0.00 C ATOM 1477 CD ARG A 102 -19.979 -3.617 1.724 1.00 0.00 C ATOM 1478 NE ARG A 102 -21.370 -3.533 1.227 1.00 0.00 N ATOM 1479 CZ ARG A 102 -22.233 -4.559 1.232 1.00 0.00 C ATOM 1480 NH1 ARG A 102 -21.852 -5.752 1.706 1.00 0.00 N ATOM 1481 NH2 ARG A 102 -23.476 -4.391 0.761 1.00 0.00 N ATOM 0 H ARG A 102 -15.224 -3.911 1.358 1.00 0.00 H new ATOM 0 HA ARG A 102 -17.101 -5.942 0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -17.411 -3.569 1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -17.552 -3.000 0.128 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -19.510 -4.238 -0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -19.140 -5.440 0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -19.958 -4.125 2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -19.580 -2.615 1.883 1.00 0.00 H new ATOM 0 HE ARG A 102 -21.693 -2.639 0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -20.905 -5.880 2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -22.509 -6.533 1.710 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -23.766 -3.483 0.399 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -24.133 -5.172 0.765 1.00 0.00 H new ATOM 1495 N SER A 103 -15.931 -3.810 -1.665 1.00 0.00 N ATOM 1496 CA SER A 103 -15.715 -3.607 -3.087 1.00 0.00 C ATOM 1497 C SER A 103 -14.831 -4.724 -3.646 1.00 0.00 C ATOM 1498 O SER A 103 -14.720 -4.884 -4.860 1.00 0.00 O ATOM 1499 CB SER A 103 -15.079 -2.242 -3.358 1.00 0.00 C ATOM 1500 OG SER A 103 -14.897 -1.491 -2.161 1.00 0.00 O ATOM 0 H SER A 103 -15.582 -3.059 -1.069 1.00 0.00 H new ATOM 0 HA SER A 103 -16.683 -3.633 -3.587 1.00 0.00 H new ATOM 0 HB2 SER A 103 -14.116 -2.382 -3.848 1.00 0.00 H new ATOM 0 HB3 SER A 103 -15.709 -1.679 -4.047 1.00 0.00 H new ATOM 0 HG SER A 103 -14.487 -0.627 -2.376 1.00 0.00 H new ATOM 1506 N MET A 104 -14.225 -5.469 -2.733 1.00 0.00 N ATOM 1507 CA MET A 104 -13.355 -6.566 -3.119 1.00 0.00 C ATOM 1508 C MET A 104 -14.165 -7.740 -3.674 1.00 0.00 C ATOM 1509 O MET A 104 -13.887 -8.229 -4.767 1.00 0.00 O ATOM 1510 CB MET A 104 -12.548 -7.031 -1.905 1.00 0.00 C ATOM 1511 CG MET A 104 -11.347 -6.115 -1.661 1.00 0.00 C ATOM 1512 SD MET A 104 -10.342 -6.766 -0.337 1.00 0.00 S ATOM 1513 CE MET A 104 -10.135 -5.291 0.648 1.00 0.00 C ATOM 0 H MET A 104 -14.320 -5.334 -1.726 1.00 0.00 H new ATOM 0 HA MET A 104 -12.682 -6.212 -3.900 1.00 0.00 H new ATOM 0 HB2 MET A 104 -13.187 -7.042 -1.022 1.00 0.00 H new ATOM 0 HB3 MET A 104 -12.204 -8.053 -2.062 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.753 -6.030 -2.571 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.690 -5.111 -1.409 1.00 0.00 H new ATOM 0 HE1 MET A 104 -9.082 -5.012 0.668 1.00 0.00 H new ATOM 0 HE2 MET A 104 -10.717 -4.478 0.213 1.00 0.00 H new ATOM 0 HE3 MET A 104 -10.480 -5.481 1.664 1.00 0.00 H new ATOM 1523 N SER A 105 -15.151 -8.157 -2.894 1.00 0.00 N ATOM 1524 CA SER A 105 -16.004 -9.263 -3.293 1.00 0.00 C ATOM 1525 C SER A 105 -17.294 -8.730 -3.921 1.00 0.00 C ATOM 1526 O SER A 105 -17.896 -9.391 -4.766 1.00 0.00 O ATOM 1527 CB SER A 105 -16.328 -10.167 -2.101 1.00 0.00 C ATOM 1528 OG SER A 105 -15.455 -11.291 -2.031 1.00 0.00 O ATOM 0 H SER A 105 -15.378 -7.749 -1.987 1.00 0.00 H new ATOM 0 HA SER A 105 -15.468 -9.859 -4.031 1.00 0.00 H new ATOM 0 HB2 SER A 105 -16.253 -9.591 -1.178 1.00 0.00 H new ATOM 0 HB3 SER A 105 -17.359 -10.513 -2.178 1.00 0.00 H new ATOM 0 HG SER A 105 -15.693 -11.842 -1.256 1.00 0.00 H new ATOM 1534 N MET A 106 -17.679 -7.541 -3.483 1.00 0.00 N ATOM 1535 CA MET A 106 -18.886 -6.912 -3.992 1.00 0.00 C ATOM 1536 C MET A 106 -18.666 -6.364 -5.403 1.00 0.00 C ATOM 1537 O MET A 106 -19.325 -6.794 -6.349 1.00 0.00 O ATOM 1538 CB MET A 106 -19.299 -5.770 -3.060 1.00 0.00 C ATOM 1539 CG MET A 106 -20.774 -5.412 -3.252 1.00 0.00 C ATOM 1540 SD MET A 106 -20.985 -3.641 -3.188 1.00 0.00 S ATOM 1541 CE MET A 106 -21.551 -3.336 -4.854 1.00 0.00 C ATOM 0 H MET A 106 -17.177 -6.996 -2.782 1.00 0.00 H new ATOM 0 HA MET A 106 -19.675 -7.663 -4.033 1.00 0.00 H new ATOM 0 HB2 MET A 106 -19.123 -6.060 -2.024 1.00 0.00 H new ATOM 0 HB3 MET A 106 -18.680 -4.894 -3.256 1.00 0.00 H new ATOM 0 HG2 MET A 106 -21.128 -5.794 -4.209 1.00 0.00 H new ATOM 0 HG3 MET A 106 -21.376 -5.887 -2.477 1.00 0.00 H new ATOM 0 HE1 MET A 106 -21.732 -2.269 -4.987 1.00 0.00 H new ATOM 0 HE2 MET A 106 -20.791 -3.666 -5.563 1.00 0.00 H new ATOM 0 HE3 MET A 106 -22.475 -3.886 -5.031 1.00 0.00 H new ATOM 1551 N GLU A 107 -17.738 -5.424 -5.501 1.00 0.00 N ATOM 1552 CA GLU A 107 -17.423 -4.813 -6.781 1.00 0.00 C ATOM 1553 C GLU A 107 -16.550 -5.752 -7.616 1.00 0.00 C ATOM 1554 O GLU A 107 -16.705 -5.830 -8.834 1.00 0.00 O ATOM 1555 CB GLU A 107 -16.741 -3.457 -6.589 1.00 0.00 C ATOM 1556 CG GLU A 107 -17.776 -2.342 -6.422 1.00 0.00 C ATOM 1557 CD GLU A 107 -17.164 -0.975 -6.734 1.00 0.00 C ATOM 1558 OE1 GLU A 107 -16.799 -0.772 -7.912 1.00 0.00 O ATOM 1559 OE2 GLU A 107 -17.074 -0.164 -5.787 1.00 0.00 O ATOM 0 H GLU A 107 -17.194 -5.070 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 107 -18.355 -4.640 -7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -16.094 -3.492 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -16.104 -3.241 -7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -18.623 -2.525 -7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -18.161 -2.348 -5.402 1.00 0.00 H new ATOM 1566 N GLY A 108 -15.651 -6.441 -6.929 1.00 0.00 N ATOM 1567 CA GLY A 108 -14.754 -7.371 -7.592 1.00 0.00 C ATOM 1568 C GLY A 108 -15.522 -8.572 -8.149 1.00 0.00 C ATOM 1569 O GLY A 108 -14.965 -9.379 -8.892 1.00 0.00 O ATOM 0 H GLY A 108 -15.525 -6.373 -5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -14.231 -6.862 -8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -13.996 -7.714 -6.888 1.00 0.00 H new ATOM 1573 N ASN A 109 -16.788 -8.652 -7.768 1.00 0.00 N ATOM 1574 CA ASN A 109 -17.638 -9.740 -8.220 1.00 0.00 C ATOM 1575 C ASN A 109 -17.946 -9.557 -9.707 1.00 0.00 C ATOM 1576 O ASN A 109 -17.786 -10.487 -10.496 1.00 0.00 O ATOM 1577 CB ASN A 109 -18.966 -9.753 -7.460 1.00 0.00 C ATOM 1578 CG ASN A 109 -19.139 -11.058 -6.680 1.00 0.00 C ATOM 1579 OD1 ASN A 109 -19.706 -10.904 -5.487 1.00 0.00 O flip ATOM 1580 ND2 ASN A 109 -18.781 -12.133 -7.132 1.00 0.00 N flip ATOM 0 H ASN A 109 -17.246 -7.981 -7.151 1.00 0.00 H new ATOM 0 HA ASN A 109 -17.111 -10.677 -8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -19.004 -8.907 -6.774 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -19.792 -9.632 -8.161 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -18.352 -12.180 -8.056 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -18.911 -12.985 -6.586 1.00 0.00 H new ATOM 1587 N ILE A 110 -18.382 -8.353 -10.045 1.00 0.00 N ATOM 1588 CA ILE A 110 -18.714 -8.036 -11.424 1.00 0.00 C ATOM 1589 C ILE A 110 -17.531 -7.317 -12.076 1.00 0.00 C ATOM 1590 O ILE A 110 -17.258 -7.511 -13.259 1.00 0.00 O ATOM 1591 CB ILE A 110 -20.025 -7.251 -11.493 1.00 0.00 C ATOM 1592 CG1 ILE A 110 -19.822 -5.803 -11.044 1.00 0.00 C ATOM 1593 CG2 ILE A 110 -21.125 -7.950 -10.691 1.00 0.00 C ATOM 1594 CD1 ILE A 110 -19.826 -5.696 -9.518 1.00 0.00 C ATOM 0 H ILE A 110 -18.513 -7.584 -9.387 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.886 -8.949 -11.994 1.00 0.00 H new ATOM 0 HB ILE A 110 -20.352 -7.223 -12.533 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -18.877 -5.426 -11.436 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -20.612 -5.176 -11.458 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -22.046 -7.371 -10.756 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -21.293 -8.948 -11.097 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -20.820 -8.030 -9.648 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -19.680 -4.656 -9.226 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -20.781 -6.051 -9.131 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -19.020 -6.305 -9.108 1.00 0.00 H new ATOM 1606 N ARG A 111 -16.862 -6.500 -11.275 1.00 0.00 N ATOM 1607 CA ARG A 111 -15.715 -5.751 -11.759 1.00 0.00 C ATOM 1608 C ARG A 111 -14.525 -6.686 -11.981 1.00 0.00 C ATOM 1609 O ARG A 111 -13.875 -6.633 -13.024 1.00 0.00 O ATOM 1610 CB ARG A 111 -15.317 -4.654 -10.770 1.00 0.00 C ATOM 1611 CG ARG A 111 -16.513 -3.763 -10.427 1.00 0.00 C ATOM 1612 CD ARG A 111 -16.331 -2.357 -11.001 1.00 0.00 C ATOM 1613 NE ARG A 111 -17.644 -1.799 -11.398 1.00 0.00 N ATOM 1614 CZ ARG A 111 -17.815 -0.572 -11.909 1.00 0.00 C ATOM 1615 NH1 ARG A 111 -16.759 0.232 -12.088 1.00 0.00 N ATOM 1616 NH2 ARG A 111 -19.043 -0.150 -12.240 1.00 0.00 N ATOM 0 H ARG A 111 -17.093 -6.341 -10.294 1.00 0.00 H new ATOM 0 HA ARG A 111 -15.997 -5.287 -12.704 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -14.923 -5.106 -9.860 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -14.518 -4.048 -11.197 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -17.427 -4.206 -10.823 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -16.630 -3.706 -9.345 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -15.861 -1.711 -10.260 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -15.665 -2.390 -11.863 1.00 0.00 H new ATOM 0 HE ARG A 111 -18.470 -2.385 -11.275 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -15.825 -0.090 -11.835 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -16.889 1.166 -12.477 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -19.847 -0.763 -12.103 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -19.174 0.784 -12.629 1.00 0.00 H new ATOM 1630 N GLY A 112 -14.275 -7.520 -10.982 1.00 0.00 N ATOM 1631 CA GLY A 112 -13.174 -8.466 -11.055 1.00 0.00 C ATOM 1632 C GLY A 112 -11.869 -7.825 -10.579 1.00 0.00 C ATOM 1633 O GLY A 112 -10.793 -8.395 -10.755 1.00 0.00 O ATOM 0 H GLY A 112 -14.816 -7.560 -10.118 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -13.399 -9.339 -10.443 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -13.058 -8.817 -12.081 1.00 0.00 H new ATOM 1637 N MET A 113 -12.006 -6.648 -9.986 1.00 0.00 N ATOM 1638 CA MET A 113 -10.851 -5.924 -9.484 1.00 0.00 C ATOM 1639 C MET A 113 -11.275 -4.830 -8.502 1.00 0.00 C ATOM 1640 O MET A 113 -12.466 -4.616 -8.280 1.00 0.00 O ATOM 1641 CB MET A 113 -10.095 -5.293 -10.656 1.00 0.00 C ATOM 1642 CG MET A 113 -10.941 -4.215 -11.337 1.00 0.00 C ATOM 1643 SD MET A 113 -11.025 -4.523 -13.093 1.00 0.00 S ATOM 1644 CE MET A 113 -9.578 -3.629 -13.634 1.00 0.00 C ATOM 0 H MET A 113 -12.900 -6.178 -9.842 1.00 0.00 H new ATOM 0 HA MET A 113 -10.204 -6.627 -8.959 1.00 0.00 H new ATOM 0 HB2 MET A 113 -9.162 -4.857 -10.299 1.00 0.00 H new ATOM 0 HB3 MET A 113 -9.830 -6.064 -11.380 1.00 0.00 H new ATOM 0 HG2 MET A 113 -11.945 -4.207 -10.913 1.00 0.00 H new ATOM 0 HG3 MET A 113 -10.509 -3.231 -11.152 1.00 0.00 H new ATOM 0 HE1 MET A 113 -9.479 -3.718 -14.716 1.00 0.00 H new ATOM 0 HE2 MET A 113 -9.678 -2.578 -13.364 1.00 0.00 H new ATOM 0 HE3 MET A 113 -8.693 -4.045 -13.153 1.00 0.00 H new ATOM 1654 N ILE A 114 -10.276 -4.166 -7.939 1.00 0.00 N ATOM 1655 CA ILE A 114 -10.530 -3.100 -6.985 1.00 0.00 C ATOM 1656 C ILE A 114 -9.577 -1.936 -7.262 1.00 0.00 C ATOM 1657 O ILE A 114 -8.402 -2.148 -7.560 1.00 0.00 O ATOM 1658 CB ILE A 114 -10.450 -3.632 -5.553 1.00 0.00 C ATOM 1659 CG1 ILE A 114 -10.742 -2.523 -4.539 1.00 0.00 C ATOM 1660 CG2 ILE A 114 -9.102 -4.306 -5.292 1.00 0.00 C ATOM 1661 CD1 ILE A 114 -11.038 -3.109 -3.157 1.00 0.00 C ATOM 0 H ILE A 114 -9.289 -4.346 -8.125 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.544 -2.718 -7.102 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.220 -4.394 -5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -9.888 -1.848 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -11.593 -1.931 -4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.072 -4.675 -4.267 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -8.973 -5.140 -5.982 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.299 -3.584 -5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -11.242 -2.300 -2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -11.907 -3.764 -3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -10.176 -3.680 -2.812 1.00 0.00 H new ATOM 1673 N GLN A 115 -10.118 -0.731 -7.154 1.00 0.00 N ATOM 1674 CA GLN A 115 -9.330 0.467 -7.390 1.00 0.00 C ATOM 1675 C GLN A 115 -9.022 1.168 -6.066 1.00 0.00 C ATOM 1676 O GLN A 115 -9.806 1.093 -5.121 1.00 0.00 O ATOM 1677 CB GLN A 115 -10.045 1.412 -8.357 1.00 0.00 C ATOM 1678 CG GLN A 115 -9.623 2.864 -8.119 1.00 0.00 C ATOM 1679 CD GLN A 115 -10.022 3.752 -9.299 1.00 0.00 C ATOM 1680 OE1 GLN A 115 -9.367 4.728 -9.623 1.00 0.00 O ATOM 1681 NE2 GLN A 115 -11.130 3.360 -9.921 1.00 0.00 N ATOM 0 H GLN A 115 -11.092 -0.559 -6.906 1.00 0.00 H new ATOM 0 HA GLN A 115 -8.387 0.173 -7.852 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -9.817 1.127 -9.384 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -11.124 1.318 -8.232 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -10.087 3.236 -7.206 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -8.544 2.913 -7.971 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -11.631 2.532 -9.598 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -11.479 3.887 -10.722 1.00 0.00 H new ATOM 1690 N LEU A 116 -7.877 1.835 -6.038 1.00 0.00 N ATOM 1691 CA LEU A 116 -7.455 2.549 -4.845 1.00 0.00 C ATOM 1692 C LEU A 116 -7.031 3.968 -5.229 1.00 0.00 C ATOM 1693 O LEU A 116 -6.146 4.151 -6.064 1.00 0.00 O ATOM 1694 CB LEU A 116 -6.372 1.762 -4.104 1.00 0.00 C ATOM 1695 CG LEU A 116 -6.722 0.317 -3.743 1.00 0.00 C ATOM 1696 CD1 LEU A 116 -5.482 -0.445 -3.270 1.00 0.00 C ATOM 1697 CD2 LEU A 116 -7.852 0.268 -2.713 1.00 0.00 C ATOM 0 H LEU A 116 -7.228 1.896 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.284 2.642 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -5.472 1.754 -4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.127 2.296 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.084 -0.182 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.758 -1.469 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.736 -0.454 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.068 0.045 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -8.081 -0.770 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.542 0.789 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.739 0.750 -3.123 1.00 0.00 H new ATOM 1709 N VAL A 117 -7.681 4.936 -4.601 1.00 0.00 N ATOM 1710 CA VAL A 117 -7.382 6.333 -4.866 1.00 0.00 C ATOM 1711 C VAL A 117 -6.549 6.900 -3.714 1.00 0.00 C ATOM 1712 O VAL A 117 -6.992 6.905 -2.567 1.00 0.00 O ATOM 1713 CB VAL A 117 -8.679 7.110 -5.104 1.00 0.00 C ATOM 1714 CG1 VAL A 117 -8.393 8.471 -5.742 1.00 0.00 C ATOM 1715 CG2 VAL A 117 -9.656 6.298 -5.957 1.00 0.00 C ATOM 0 H VAL A 117 -8.414 4.781 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.789 6.430 -5.775 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.147 7.286 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -9.331 9.003 -5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.752 9.055 -5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.892 8.326 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.569 6.873 -6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -9.200 6.076 -6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.896 5.365 -5.447 1.00 0.00 H new ATOM 1725 N ILE A 118 -5.357 7.362 -4.061 1.00 0.00 N ATOM 1726 CA ILE A 118 -4.457 7.929 -3.070 1.00 0.00 C ATOM 1727 C ILE A 118 -4.287 9.426 -3.340 1.00 0.00 C ATOM 1728 O ILE A 118 -4.480 9.883 -4.466 1.00 0.00 O ATOM 1729 CB ILE A 118 -3.138 7.156 -3.039 1.00 0.00 C ATOM 1730 CG1 ILE A 118 -2.396 7.282 -4.372 1.00 0.00 C ATOM 1731 CG2 ILE A 118 -3.368 5.694 -2.648 1.00 0.00 C ATOM 1732 CD1 ILE A 118 -1.163 8.176 -4.230 1.00 0.00 C ATOM 0 H ILE A 118 -4.993 7.356 -5.014 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.880 7.831 -2.070 1.00 0.00 H new ATOM 0 HB ILE A 118 -2.501 7.599 -2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.095 6.294 -4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.065 7.696 -5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.414 5.167 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.822 5.649 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.032 5.223 -3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.654 8.249 -5.191 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -1.470 9.170 -3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -0.485 7.747 -3.492 1.00 0.00 H new ATOM 1744 N LEU A 119 -3.926 10.147 -2.289 1.00 0.00 N ATOM 1745 CA LEU A 119 -3.727 11.582 -2.398 1.00 0.00 C ATOM 1746 C LEU A 119 -2.346 11.944 -1.849 1.00 0.00 C ATOM 1747 O LEU A 119 -2.046 11.675 -0.687 1.00 0.00 O ATOM 1748 CB LEU A 119 -4.874 12.335 -1.722 1.00 0.00 C ATOM 1749 CG LEU A 119 -4.870 13.856 -1.891 1.00 0.00 C ATOM 1750 CD1 LEU A 119 -3.747 14.495 -1.070 1.00 0.00 C ATOM 1751 CD2 LEU A 119 -4.792 14.244 -3.369 1.00 0.00 C ATOM 0 H LEU A 119 -3.766 9.764 -1.357 1.00 0.00 H new ATOM 0 HA LEU A 119 -3.746 11.891 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.816 11.949 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.853 12.108 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 119 -5.813 14.245 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -3.766 15.576 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -3.889 14.261 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.785 14.104 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -4.791 15.330 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -3.876 13.842 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.653 13.836 -3.898 1.00 0.00 H new ATOM 1763 N ARG A 120 -1.541 12.549 -2.710 1.00 0.00 N ATOM 1764 CA ARG A 120 -0.199 12.951 -2.326 1.00 0.00 C ATOM 1765 C ARG A 120 0.086 14.376 -2.804 1.00 0.00 C ATOM 1766 O ARG A 120 -0.140 14.701 -3.969 1.00 0.00 O ATOM 1767 CB ARG A 120 0.849 12.004 -2.914 1.00 0.00 C ATOM 1768 CG ARG A 120 2.250 12.613 -2.823 1.00 0.00 C ATOM 1769 CD ARG A 120 3.325 11.527 -2.897 1.00 0.00 C ATOM 1770 NE ARG A 120 3.456 10.853 -1.586 1.00 0.00 N ATOM 1771 CZ ARG A 120 4.070 11.391 -0.523 1.00 0.00 C ATOM 1772 NH1 ARG A 120 4.613 12.613 -0.610 1.00 0.00 N ATOM 1773 NH2 ARG A 120 4.141 10.707 0.627 1.00 0.00 N ATOM 0 H ARG A 120 -1.793 12.771 -3.673 1.00 0.00 H new ATOM 0 HA ARG A 120 -0.139 12.911 -1.238 1.00 0.00 H new ATOM 0 HB2 ARG A 120 0.826 11.054 -2.380 1.00 0.00 H new ATOM 0 HB3 ARG A 120 0.608 11.791 -3.955 1.00 0.00 H new ATOM 0 HG2 ARG A 120 2.393 13.328 -3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 120 2.350 13.166 -1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.065 10.799 -3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 120 4.279 11.968 -3.185 1.00 0.00 H new ATOM 0 HE ARG A 120 3.054 9.921 -1.485 1.00 0.00 H new ATOM 0 HH11 ARG A 120 4.559 13.134 -1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 120 5.080 13.022 0.199 1.00 0.00 H new ATOM 0 HH21 ARG A 120 3.728 9.777 0.693 1.00 0.00 H new ATOM 0 HH22 ARG A 120 4.608 11.116 1.436 1.00 0.00 H new