USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 895 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 114 THR OG1 : rot -18:sc= 0.843 USER MOD Set 1.2: A 125 THR OG1 : rot 62:sc= 0.352 USER MOD Set 2.1: A 91 THR OG1 : rot 180:sc=-0.00355 USER MOD Set 2.2: A 92 HIS : no HE2:sc= -5.62! C(o=-5.6!,f=-6.5!) USER MOD Set 3.1: A 67 CYS SG : rot -90:sc= -1.2 USER MOD Set 3.2: A 71 HIS : no HD1:sc= -5.77! K(o=-8.5!,f=-16) USER MOD Set 3.3: A 90 SER OG : rot 142:sc= -0.473 USER MOD Set 3.4: A 94 THR OG1 : rot -170:sc= -1.09 USER MOD Set 4.1: A 77 HIS : no HD1:sc= -14! C(o=-17!,f=-13!) USER MOD Set 4.2: A 79 HIS : no HE2:sc= -3.26! C(o=-17!,f=-14!) USER MOD Single : A 18 THR OG1 : rot -39:sc= 0.231 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -3.41! K(o=-3.4!,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= -2.04! (180deg=-3.69!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.6) USER MOD Single : A 58 CYS SG : rot 133:sc= -3.65! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.362 K(o=-0.36,f=-0.87) USER MOD Single : A 65 GLN : amide:sc=-0.00397 X(o=-0.004,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 0:sc= -1.3 USER MOD Single : A 78 LYS NZ :NH3+ -135:sc= 0.774 (180deg=-1.7!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -4.23! C(o=-4.2!,f=-2.8!) USER MOD Single : A 98 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.44) USER MOD Single : A 104 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-2.7!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -2.19 K(o=-2.2,f=-1.4) USER MOD Single : A 108 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.16) USER MOD Single : A 113 SER OG : rot 106:sc= -4.55! USER MOD Single : A 116 SER OG : rot 16:sc= -0.21! USER MOD Single : A 124 TYR OH : rot 10:sc= -0.989 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 17 21.611 4.635 -19.701 1.00 22.25 N ATOM 215 CA PRO A 17 22.164 5.010 -20.991 1.00 13.21 C ATOM 216 C PRO A 17 23.622 4.563 -21.114 1.00 74.34 C ATOM 217 O PRO A 17 24.074 3.697 -20.367 1.00 4.23 O ATOM 218 CB PRO A 17 21.997 6.519 -21.066 1.00 41.12 C ATOM 219 CG PRO A 17 21.787 6.987 -19.635 1.00 54.24 C ATOM 220 CD PRO A 17 21.480 5.765 -18.785 1.00 62.15 C ATOM 0 HA PRO A 17 21.656 4.524 -21.824 1.00 13.21 H new ATOM 0 HB2 PRO A 17 22.878 6.988 -21.505 1.00 41.12 H new ATOM 0 HB3 PRO A 17 21.147 6.787 -21.693 1.00 41.12 H new ATOM 0 HG2 PRO A 17 22.677 7.495 -19.265 1.00 54.24 H new ATOM 0 HG3 PRO A 17 20.967 7.703 -19.584 1.00 54.24 H new ATOM 0 HD2 PRO A 17 22.174 5.680 -17.949 1.00 62.15 H new ATOM 0 HD3 PRO A 17 20.477 5.818 -18.362 1.00 62.15 H new ATOM 228 N THR A 18 24.316 5.173 -22.064 1.00 20.44 N ATOM 229 CA THR A 18 25.713 4.848 -22.295 1.00 24.15 C ATOM 230 C THR A 18 26.606 6.031 -21.914 1.00 33.13 C ATOM 231 O THR A 18 27.831 5.925 -21.946 1.00 33.34 O ATOM 232 CB THR A 18 25.864 4.419 -23.755 1.00 71.14 C ATOM 233 OG1 THR A 18 27.121 3.749 -23.793 1.00 32.44 O ATOM 234 CG2 THR A 18 26.048 5.609 -24.699 1.00 62.12 C ATOM 0 H THR A 18 23.937 5.890 -22.682 1.00 20.44 H new ATOM 0 HA THR A 18 26.036 4.020 -21.663 1.00 24.15 H new ATOM 0 HB THR A 18 24.986 3.848 -24.057 1.00 71.14 H new ATOM 0 HG1 THR A 18 27.761 4.221 -23.220 1.00 32.44 H new ATOM 0 HG21 THR A 18 26.150 5.249 -25.723 1.00 62.12 H new ATOM 0 HG22 THR A 18 25.181 6.265 -24.630 1.00 62.12 H new ATOM 0 HG23 THR A 18 26.944 6.162 -24.417 1.00 62.12 H new ATOM 242 N TRP A 19 25.957 7.131 -21.562 1.00 12.21 N ATOM 243 CA TRP A 19 26.676 8.333 -21.175 1.00 41.03 C ATOM 244 C TRP A 19 26.825 8.326 -19.653 1.00 34.15 C ATOM 245 O TRP A 19 27.467 9.207 -19.084 1.00 12.43 O ATOM 246 CB TRP A 19 25.973 9.586 -21.702 1.00 21.25 C ATOM 247 CG TRP A 19 24.448 9.475 -21.737 1.00 74.22 C ATOM 248 CD1 TRP A 19 23.682 8.929 -22.692 1.00 42.23 C ATOM 249 CD2 TRP A 19 23.527 9.945 -20.730 1.00 4.51 C ATOM 250 NE1 TRP A 19 22.342 9.013 -22.376 1.00 14.52 N ATOM 251 CE2 TRP A 19 22.245 9.651 -21.144 1.00 54.04 C ATOM 252 CE3 TRP A 19 23.771 10.598 -19.509 1.00 2.32 C ATOM 253 CZ2 TRP A 19 21.105 9.972 -20.398 1.00 11.35 C ATOM 254 CZ3 TRP A 19 22.622 10.913 -18.774 1.00 74.31 C ATOM 255 CH2 TRP A 19 21.323 10.623 -19.177 1.00 43.35 C ATOM 0 H TRP A 19 24.941 7.215 -21.537 1.00 12.21 H new ATOM 0 HA TRP A 19 27.670 8.348 -21.621 1.00 41.03 H new ATOM 0 HB2 TRP A 19 26.251 10.436 -21.078 1.00 21.25 H new ATOM 0 HB3 TRP A 19 26.335 9.797 -22.708 1.00 21.25 H new ATOM 0 HD1 TRP A 19 24.066 8.480 -23.596 1.00 42.23 H new ATOM 0 HE1 TRP A 19 21.565 8.670 -22.942 1.00 14.52 H new ATOM 0 HE3 TRP A 19 24.766 10.838 -19.165 1.00 2.32 H new ATOM 0 HZ2 TRP A 19 20.111 9.731 -20.745 1.00 11.35 H new ATOM 0 HZ3 TRP A 19 22.754 11.417 -17.828 1.00 74.31 H new ATOM 0 HH2 TRP A 19 20.487 10.898 -18.552 1.00 43.35 H new ATOM 266 N ALA A 20 26.220 7.321 -19.036 1.00 0.23 N ATOM 267 CA ALA A 20 26.277 7.188 -17.590 1.00 31.41 C ATOM 268 C ALA A 20 27.631 6.600 -17.189 1.00 65.33 C ATOM 269 O ALA A 20 28.176 5.751 -17.893 1.00 63.31 O ATOM 270 CB ALA A 20 25.104 6.330 -17.110 1.00 2.32 C ATOM 0 H ALA A 20 25.688 6.592 -19.511 1.00 0.23 H new ATOM 0 HA ALA A 20 26.186 8.163 -17.111 1.00 31.41 H new ATOM 0 HB1 ALA A 20 25.146 6.230 -16.025 1.00 2.32 H new ATOM 0 HB2 ALA A 20 24.165 6.805 -17.394 1.00 2.32 H new ATOM 0 HB3 ALA A 20 25.164 5.343 -17.568 1.00 2.32 H new ATOM 276 N GLY A 21 28.136 7.075 -16.060 1.00 61.41 N ATOM 277 CA GLY A 21 29.417 6.607 -15.557 1.00 74.34 C ATOM 278 C GLY A 21 29.326 6.252 -14.072 1.00 31.32 C ATOM 279 O GLY A 21 28.559 5.371 -13.686 1.00 60.31 O ATOM 0 H GLY A 21 27.681 7.779 -15.479 1.00 61.41 H new ATOM 0 HA2 GLY A 21 29.737 5.733 -16.124 1.00 74.34 H new ATOM 0 HA3 GLY A 21 30.173 7.378 -15.705 1.00 74.34 H new ATOM 283 N LYS A 22 30.120 6.956 -13.278 1.00 75.04 N ATOM 284 CA LYS A 22 30.139 6.726 -11.844 1.00 15.32 C ATOM 285 C LYS A 22 30.404 8.050 -11.123 1.00 63.43 C ATOM 286 O LYS A 22 31.453 8.663 -11.312 1.00 3.42 O ATOM 287 CB LYS A 22 31.138 5.623 -11.491 1.00 74.50 C ATOM 288 CG LYS A 22 31.700 5.822 -10.082 1.00 71.20 C ATOM 289 CD LYS A 22 33.093 6.451 -10.132 1.00 5.32 C ATOM 290 CE LYS A 22 34.129 5.450 -10.647 1.00 23.00 C ATOM 291 NZ LYS A 22 35.076 5.083 -9.570 1.00 34.21 N ATOM 0 H LYS A 22 30.755 7.686 -13.601 1.00 75.04 H new ATOM 0 HA LYS A 22 29.168 6.365 -11.503 1.00 15.32 H new ATOM 0 HB2 LYS A 22 30.650 4.651 -11.558 1.00 74.50 H new ATOM 0 HB3 LYS A 22 31.953 5.621 -12.215 1.00 74.50 H new ATOM 0 HG2 LYS A 22 31.030 6.460 -9.506 1.00 71.20 H new ATOM 0 HG3 LYS A 22 31.748 4.863 -9.567 1.00 71.20 H new ATOM 0 HD2 LYS A 22 33.077 7.328 -10.779 1.00 5.32 H new ATOM 0 HD3 LYS A 22 33.377 6.794 -9.137 1.00 5.32 H new ATOM 0 HE2 LYS A 22 33.627 4.556 -11.018 1.00 23.00 H new ATOM 0 HE3 LYS A 22 34.674 5.881 -11.487 1.00 23.00 H new ATOM 0 HZ1 LYS A 22 35.772 4.403 -9.937 1.00 34.21 H new ATOM 0 HZ2 LYS A 22 35.568 5.936 -9.235 1.00 34.21 H new ATOM 0 HZ3 LYS A 22 34.554 4.652 -8.781 1.00 34.21 H new ATOM 304 N PRO A 23 29.410 8.461 -10.291 1.00 60.24 N ATOM 305 CA PRO A 23 29.526 9.700 -9.542 1.00 1.03 C ATOM 306 C PRO A 23 30.492 9.541 -8.366 1.00 13.05 C ATOM 307 O PRO A 23 30.553 8.480 -7.747 1.00 71.41 O ATOM 308 CB PRO A 23 28.108 10.030 -9.106 1.00 0.43 C ATOM 309 CG PRO A 23 27.323 8.734 -9.225 1.00 54.54 C ATOM 310 CD PRO A 23 28.154 7.760 -10.043 1.00 73.44 C ATOM 0 HA PRO A 23 29.945 10.513 -10.135 1.00 1.03 H new ATOM 0 HB2 PRO A 23 28.091 10.404 -8.082 1.00 0.43 H new ATOM 0 HB3 PRO A 23 27.676 10.807 -9.737 1.00 0.43 H new ATOM 0 HG2 PRO A 23 27.114 8.322 -8.238 1.00 54.54 H new ATOM 0 HG3 PRO A 23 26.361 8.913 -9.706 1.00 54.54 H new ATOM 0 HD2 PRO A 23 28.321 6.829 -9.501 1.00 73.44 H new ATOM 0 HD3 PRO A 23 27.655 7.500 -10.976 1.00 73.44 H new ATOM 318 N PRO A 24 31.241 10.640 -8.085 1.00 5.43 N ATOM 319 CA PRO A 24 32.201 10.633 -6.994 1.00 10.23 C ATOM 320 C PRO A 24 31.493 10.727 -5.640 1.00 43.54 C ATOM 321 O PRO A 24 30.341 11.152 -5.567 1.00 3.35 O ATOM 322 CB PRO A 24 33.118 11.814 -7.268 1.00 53.02 C ATOM 323 CG PRO A 24 32.364 12.711 -8.237 1.00 71.51 C ATOM 324 CD PRO A 24 31.196 11.915 -8.796 1.00 32.31 C ATOM 0 HA PRO A 24 32.772 9.706 -6.943 1.00 10.23 H new ATOM 0 HB2 PRO A 24 33.355 12.346 -6.347 1.00 53.02 H new ATOM 0 HB3 PRO A 24 34.064 11.483 -7.697 1.00 53.02 H new ATOM 0 HG2 PRO A 24 32.007 13.607 -7.729 1.00 71.51 H new ATOM 0 HG3 PRO A 24 33.021 13.041 -9.042 1.00 71.51 H new ATOM 0 HD2 PRO A 24 30.250 12.429 -8.627 1.00 32.31 H new ATOM 0 HD3 PRO A 24 31.294 11.772 -9.872 1.00 32.31 H new ATOM 332 N PRO A 25 32.231 10.314 -4.576 1.00 24.22 N ATOM 333 CA PRO A 25 31.687 10.348 -3.229 1.00 70.41 C ATOM 334 C PRO A 25 31.647 11.779 -2.689 1.00 62.25 C ATOM 335 O PRO A 25 32.429 12.136 -1.810 1.00 11.24 O ATOM 336 CB PRO A 25 32.588 9.431 -2.417 1.00 40.53 C ATOM 337 CG PRO A 25 33.869 9.286 -3.223 1.00 1.45 C ATOM 338 CD PRO A 25 33.599 9.805 -4.626 1.00 31.34 C ATOM 0 HA PRO A 25 30.652 10.008 -3.185 1.00 70.41 H new ATOM 0 HB2 PRO A 25 32.791 9.854 -1.433 1.00 40.53 H new ATOM 0 HB3 PRO A 25 32.116 8.462 -2.256 1.00 40.53 H new ATOM 0 HG2 PRO A 25 34.679 9.848 -2.757 1.00 1.45 H new ATOM 0 HG3 PRO A 25 34.183 8.243 -3.256 1.00 1.45 H new ATOM 0 HD2 PRO A 25 34.304 10.590 -4.900 1.00 31.34 H new ATOM 0 HD3 PRO A 25 33.700 9.013 -5.368 1.00 31.34 H new ATOM 346 N GLY A 26 30.729 12.559 -3.239 1.00 55.24 N ATOM 347 CA GLY A 26 30.576 13.943 -2.824 1.00 45.32 C ATOM 348 C GLY A 26 29.324 14.567 -3.444 1.00 2.24 C ATOM 349 O GLY A 26 29.292 15.767 -3.712 1.00 11.33 O ATOM 0 H GLY A 26 30.083 12.259 -3.969 1.00 55.24 H new ATOM 0 HA2 GLY A 26 30.512 13.995 -1.737 1.00 45.32 H new ATOM 0 HA3 GLY A 26 31.456 14.514 -3.120 1.00 45.32 H new ATOM 353 N LEU A 27 28.324 13.724 -3.653 1.00 13.30 N ATOM 354 CA LEU A 27 27.072 14.178 -4.236 1.00 4.02 C ATOM 355 C LEU A 27 25.906 13.678 -3.381 1.00 51.41 C ATOM 356 O LEU A 27 26.071 12.768 -2.570 1.00 51.24 O ATOM 357 CB LEU A 27 26.982 13.759 -5.705 1.00 24.24 C ATOM 358 CG LEU A 27 28.186 14.116 -6.579 1.00 51.41 C ATOM 359 CD1 LEU A 27 28.146 13.354 -7.905 1.00 23.44 C ATOM 360 CD2 LEU A 27 28.280 15.629 -6.791 1.00 31.23 C ATOM 0 H LEU A 27 28.355 12.729 -3.429 1.00 13.30 H new ATOM 0 HA LEU A 27 27.024 15.267 -4.236 1.00 4.02 H new ATOM 0 HB2 LEU A 27 26.836 12.680 -5.746 1.00 24.24 H new ATOM 0 HB3 LEU A 27 26.094 14.218 -6.139 1.00 24.24 H new ATOM 0 HG LEU A 27 29.091 13.806 -6.056 1.00 51.41 H new ATOM 0 HD11 LEU A 27 29.013 13.626 -8.507 1.00 23.44 H new ATOM 0 HD12 LEU A 27 28.162 12.282 -7.709 1.00 23.44 H new ATOM 0 HD13 LEU A 27 27.234 13.610 -8.445 1.00 23.44 H new ATOM 0 HD21 LEU A 27 29.144 15.856 -7.415 1.00 31.23 H new ATOM 0 HD22 LEU A 27 27.374 15.985 -7.282 1.00 31.23 H new ATOM 0 HD23 LEU A 27 28.389 16.125 -5.827 1.00 31.23 H new ATOM 372 N HIS A 28 24.753 14.296 -3.592 1.00 32.13 N ATOM 373 CA HIS A 28 23.559 13.925 -2.851 1.00 1.34 C ATOM 374 C HIS A 28 22.365 14.731 -3.365 1.00 12.51 C ATOM 375 O HIS A 28 22.517 15.883 -3.770 1.00 75.10 O ATOM 376 CB HIS A 28 23.781 14.089 -1.346 1.00 3.12 C ATOM 377 CG HIS A 28 23.879 15.526 -0.892 1.00 53.23 C ATOM 378 ND1 HIS A 28 24.939 16.349 -1.231 1.00 54.12 N ATOM 379 CD2 HIS A 28 23.038 16.278 -0.125 1.00 31.52 C ATOM 380 CE1 HIS A 28 24.735 17.539 -0.686 1.00 40.30 C ATOM 381 NE2 HIS A 28 23.557 17.493 0.000 1.00 72.24 N ATOM 0 H HIS A 28 24.620 15.051 -4.265 1.00 32.13 H new ATOM 0 HA HIS A 28 23.338 12.870 -3.014 1.00 1.34 H new ATOM 0 HB2 HIS A 28 22.962 13.606 -0.814 1.00 3.12 H new ATOM 0 HB3 HIS A 28 24.696 13.567 -1.065 1.00 3.12 H new ATOM 0 HD2 HIS A 28 22.107 15.941 0.307 1.00 31.52 H new ATOM 0 HE1 HIS A 28 25.387 18.396 -0.770 1.00 40.30 H new ATOM 0 HE2 HIS A 28 23.143 18.265 0.523 1.00 72.24 H new ATOM 389 N LEU A 29 21.204 14.094 -3.332 1.00 15.51 N ATOM 390 CA LEU A 29 19.984 14.738 -3.790 1.00 33.14 C ATOM 391 C LEU A 29 19.307 15.437 -2.609 1.00 32.43 C ATOM 392 O LEU A 29 19.791 15.366 -1.480 1.00 71.52 O ATOM 393 CB LEU A 29 19.083 13.730 -4.507 1.00 10.15 C ATOM 394 CG LEU A 29 18.268 14.276 -5.681 1.00 62.41 C ATOM 395 CD1 LEU A 29 19.136 15.144 -6.594 1.00 21.01 C ATOM 396 CD2 LEU A 29 17.586 13.142 -6.448 1.00 75.45 C ATOM 0 H LEU A 29 21.082 13.139 -2.995 1.00 15.51 H new ATOM 0 HA LEU A 29 20.213 15.507 -4.528 1.00 33.14 H new ATOM 0 HB2 LEU A 29 19.704 12.912 -4.871 1.00 10.15 H new ATOM 0 HB3 LEU A 29 18.393 13.306 -3.777 1.00 10.15 H new ATOM 0 HG LEU A 29 17.480 14.915 -5.283 1.00 62.41 H new ATOM 0 HD11 LEU A 29 18.533 15.520 -7.420 1.00 21.01 H new ATOM 0 HD12 LEU A 29 19.535 15.984 -6.025 1.00 21.01 H new ATOM 0 HD13 LEU A 29 19.959 14.548 -6.988 1.00 21.01 H new ATOM 0 HD21 LEU A 29 17.013 13.557 -7.277 1.00 75.45 H new ATOM 0 HD22 LEU A 29 18.342 12.458 -6.835 1.00 75.45 H new ATOM 0 HD23 LEU A 29 16.916 12.601 -5.779 1.00 75.45 H new ATOM 408 N ASP A 30 18.197 16.096 -2.909 1.00 65.23 N ATOM 409 CA ASP A 30 17.449 16.807 -1.887 1.00 21.24 C ATOM 410 C ASP A 30 16.025 17.060 -2.386 1.00 43.12 C ATOM 411 O ASP A 30 15.740 16.892 -3.571 1.00 22.12 O ATOM 412 CB ASP A 30 18.090 18.161 -1.577 1.00 55.31 C ATOM 413 CG ASP A 30 19.592 18.116 -1.294 1.00 44.52 C ATOM 414 OD1 ASP A 30 20.037 18.362 -0.163 1.00 31.32 O ATOM 415 OD2 ASP A 30 20.329 17.810 -2.308 1.00 2.21 O ATOM 0 H ASP A 30 17.798 16.152 -3.846 1.00 65.23 H new ATOM 0 HA ASP A 30 17.445 16.195 -0.985 1.00 21.24 H new ATOM 0 HB2 ASP A 30 17.914 18.830 -2.419 1.00 55.31 H new ATOM 0 HB3 ASP A 30 17.586 18.595 -0.714 1.00 55.31 H new ATOM 421 N VAL A 31 15.169 17.460 -1.458 1.00 1.52 N ATOM 422 CA VAL A 31 13.782 17.739 -1.789 1.00 71.40 C ATOM 423 C VAL A 31 13.333 19.008 -1.063 1.00 4.43 C ATOM 424 O VAL A 31 13.729 19.248 0.077 1.00 14.22 O ATOM 425 CB VAL A 31 12.912 16.523 -1.461 1.00 52.53 C ATOM 426 CG1 VAL A 31 11.432 16.828 -1.702 1.00 11.13 C ATOM 427 CG2 VAL A 31 13.357 15.298 -2.263 1.00 11.44 C ATOM 0 H VAL A 31 15.409 17.598 -0.476 1.00 1.52 H new ATOM 0 HA VAL A 31 13.674 17.922 -2.858 1.00 71.40 H new ATOM 0 HB VAL A 31 13.040 16.295 -0.403 1.00 52.53 H new ATOM 0 HG11 VAL A 31 10.835 15.948 -1.462 1.00 11.13 H new ATOM 0 HG12 VAL A 31 11.124 17.660 -1.068 1.00 11.13 H new ATOM 0 HG13 VAL A 31 11.281 17.094 -2.748 1.00 11.13 H new ATOM 0 HG21 VAL A 31 12.723 14.448 -2.011 1.00 11.44 H new ATOM 0 HG22 VAL A 31 13.273 15.511 -3.329 1.00 11.44 H new ATOM 0 HG23 VAL A 31 14.393 15.062 -2.021 1.00 11.44 H new ATOM 437 N VAL A 32 12.514 19.788 -1.753 1.00 3.34 N ATOM 438 CA VAL A 32 12.008 21.027 -1.188 1.00 12.54 C ATOM 439 C VAL A 32 10.535 21.192 -1.568 1.00 30.11 C ATOM 440 O VAL A 32 10.178 21.090 -2.741 1.00 11.04 O ATOM 441 CB VAL A 32 12.877 22.203 -1.640 1.00 31.30 C ATOM 442 CG1 VAL A 32 12.791 23.363 -0.646 1.00 22.51 C ATOM 443 CG2 VAL A 32 14.328 21.764 -1.847 1.00 31.31 C ATOM 0 H VAL A 32 12.188 19.586 -2.698 1.00 3.34 H new ATOM 0 HA VAL A 32 12.062 21.000 -0.100 1.00 12.54 H new ATOM 0 HB VAL A 32 12.493 22.554 -2.598 1.00 31.30 H new ATOM 0 HG11 VAL A 32 13.418 24.185 -0.991 1.00 22.51 H new ATOM 0 HG12 VAL A 32 11.758 23.701 -0.570 1.00 22.51 H new ATOM 0 HG13 VAL A 32 13.136 23.030 0.333 1.00 22.51 H new ATOM 0 HG21 VAL A 32 14.924 22.618 -2.168 1.00 31.31 H new ATOM 0 HG22 VAL A 32 14.727 21.374 -0.911 1.00 31.31 H new ATOM 0 HG23 VAL A 32 14.368 20.987 -2.610 1.00 31.31 H new ATOM 453 N LYS A 33 9.720 21.444 -0.554 1.00 74.54 N ATOM 454 CA LYS A 33 8.294 21.623 -0.768 1.00 14.12 C ATOM 455 C LYS A 33 8.052 22.959 -1.473 1.00 1.43 C ATOM 456 O LYS A 33 6.970 23.196 -2.009 1.00 25.04 O ATOM 457 CB LYS A 33 7.532 21.477 0.551 1.00 31.11 C ATOM 458 CG LYS A 33 7.949 22.560 1.548 1.00 23.22 C ATOM 459 CD LYS A 33 7.020 23.772 1.462 1.00 43.44 C ATOM 460 CE LYS A 33 5.679 23.485 2.140 1.00 61.05 C ATOM 461 NZ LYS A 33 5.020 24.748 2.541 1.00 61.02 N ATOM 0 H LYS A 33 10.020 21.528 0.417 1.00 74.54 H new ATOM 0 HA LYS A 33 7.906 20.842 -1.422 1.00 14.12 H new ATOM 0 HB2 LYS A 33 6.460 21.542 0.365 1.00 31.11 H new ATOM 0 HB3 LYS A 33 7.722 20.492 0.978 1.00 31.11 H new ATOM 0 HG2 LYS A 33 7.931 22.154 2.560 1.00 23.22 H new ATOM 0 HG3 LYS A 33 8.975 22.869 1.347 1.00 23.22 H new ATOM 0 HD2 LYS A 33 7.494 24.632 1.935 1.00 43.44 H new ATOM 0 HD3 LYS A 33 6.854 24.034 0.417 1.00 43.44 H new ATOM 0 HE2 LYS A 33 5.032 22.931 1.460 1.00 61.05 H new ATOM 0 HE3 LYS A 33 5.835 22.855 3.016 1.00 61.05 H new ATOM 0 HZ1 LYS A 33 4.111 24.535 3.000 1.00 61.02 H new ATOM 0 HZ2 LYS A 33 5.631 25.263 3.207 1.00 61.02 H new ATOM 0 HZ3 LYS A 33 4.854 25.335 1.699 1.00 61.02 H new ATOM 474 N GLY A 34 9.077 23.798 -1.449 1.00 44.14 N ATOM 475 CA GLY A 34 8.990 25.104 -2.080 1.00 2.54 C ATOM 476 C GLY A 34 10.115 26.022 -1.597 1.00 3.20 C ATOM 477 O GLY A 34 10.938 26.473 -2.393 1.00 21.24 O ATOM 0 H GLY A 34 9.972 23.599 -1.002 1.00 44.14 H new ATOM 0 HA2 GLY A 34 9.046 24.993 -3.163 1.00 2.54 H new ATOM 0 HA3 GLY A 34 8.024 25.557 -1.855 1.00 2.54 H new ATOM 481 N ASP A 35 10.115 26.272 -0.296 1.00 31.02 N ATOM 482 CA ASP A 35 11.125 27.128 0.302 1.00 24.13 C ATOM 483 C ASP A 35 11.619 26.494 1.604 1.00 12.04 C ATOM 484 O ASP A 35 12.184 27.178 2.456 1.00 24.44 O ATOM 485 CB ASP A 35 10.552 28.507 0.635 1.00 23.22 C ATOM 486 CG ASP A 35 11.574 29.646 0.649 1.00 70.42 C ATOM 487 OD1 ASP A 35 12.765 29.438 0.373 1.00 1.44 O ATOM 488 OD2 ASP A 35 11.097 30.802 0.963 1.00 51.31 O ATOM 0 H ASP A 35 9.431 25.896 0.361 1.00 31.02 H new ATOM 0 HA ASP A 35 11.939 27.239 -0.414 1.00 24.13 H new ATOM 0 HB2 ASP A 35 9.774 28.746 -0.091 1.00 23.22 H new ATOM 0 HB3 ASP A 35 10.072 28.458 1.612 1.00 23.22 H new ATOM 494 N LYS A 36 11.387 25.195 1.718 1.00 74.53 N ATOM 495 CA LYS A 36 11.800 24.461 2.902 1.00 64.24 C ATOM 496 C LYS A 36 12.276 23.066 2.491 1.00 31.44 C ATOM 497 O LYS A 36 11.577 22.355 1.771 1.00 61.33 O ATOM 498 CB LYS A 36 10.679 24.447 3.943 1.00 61.05 C ATOM 499 CG LYS A 36 10.762 23.197 4.821 1.00 1.23 C ATOM 500 CD LYS A 36 9.725 23.248 5.945 1.00 24.54 C ATOM 501 CE LYS A 36 9.222 21.844 6.291 1.00 43.55 C ATOM 502 NZ LYS A 36 8.447 21.867 7.551 1.00 54.43 N ATOM 0 H LYS A 36 10.918 24.631 1.009 1.00 74.53 H new ATOM 0 HA LYS A 36 12.643 24.957 3.383 1.00 64.24 H new ATOM 0 HB2 LYS A 36 10.746 25.339 4.566 1.00 61.05 H new ATOM 0 HB3 LYS A 36 9.712 24.480 3.442 1.00 61.05 H new ATOM 0 HG2 LYS A 36 10.600 22.308 4.211 1.00 1.23 H new ATOM 0 HG3 LYS A 36 11.762 23.113 5.247 1.00 1.23 H new ATOM 0 HD2 LYS A 36 10.164 23.709 6.830 1.00 24.54 H new ATOM 0 HD3 LYS A 36 8.886 23.875 5.642 1.00 24.54 H new ATOM 0 HE2 LYS A 36 8.599 21.465 5.481 1.00 43.55 H new ATOM 0 HE3 LYS A 36 10.067 21.163 6.389 1.00 43.55 H new ATOM 0 HZ1 LYS A 36 8.113 20.907 7.771 1.00 54.43 H new ATOM 0 HZ2 LYS A 36 9.052 22.209 8.325 1.00 54.43 H new ATOM 0 HZ3 LYS A 36 7.630 22.501 7.444 1.00 54.43 H new ATOM 515 N LEU A 37 13.461 22.715 2.968 1.00 4.41 N ATOM 516 CA LEU A 37 14.038 21.418 2.660 1.00 65.01 C ATOM 517 C LEU A 37 13.234 20.326 3.367 1.00 32.33 C ATOM 518 O LEU A 37 13.151 20.307 4.594 1.00 20.14 O ATOM 519 CB LEU A 37 15.530 21.401 3.000 1.00 61.31 C ATOM 520 CG LEU A 37 16.327 20.212 2.460 1.00 64.24 C ATOM 521 CD1 LEU A 37 15.818 18.896 3.051 1.00 71.14 C ATOM 522 CD2 LEU A 37 16.318 20.195 0.930 1.00 73.13 C ATOM 0 H LEU A 37 14.038 23.307 3.566 1.00 4.41 H new ATOM 0 HA LEU A 37 13.976 21.218 1.590 1.00 65.01 H new ATOM 0 HB2 LEU A 37 15.980 22.318 2.619 1.00 61.31 H new ATOM 0 HB3 LEU A 37 15.636 21.421 4.085 1.00 61.31 H new ATOM 0 HG LEU A 37 17.364 20.326 2.775 1.00 64.24 H new ATOM 0 HD11 LEU A 37 16.402 18.067 2.650 1.00 71.14 H new ATOM 0 HD12 LEU A 37 15.920 18.921 4.136 1.00 71.14 H new ATOM 0 HD13 LEU A 37 14.769 18.761 2.788 1.00 71.14 H new ATOM 0 HD21 LEU A 37 16.892 19.340 0.572 1.00 73.13 H new ATOM 0 HD22 LEU A 37 15.291 20.118 0.573 1.00 73.13 H new ATOM 0 HD23 LEU A 37 16.765 21.115 0.553 1.00 73.13 H new ATOM 534 N ILE A 38 12.661 19.442 2.563 1.00 40.42 N ATOM 535 CA ILE A 38 11.866 18.350 3.096 1.00 32.44 C ATOM 536 C ILE A 38 12.797 17.250 3.610 1.00 5.12 C ATOM 537 O ILE A 38 12.974 17.096 4.818 1.00 64.54 O ATOM 538 CB ILE A 38 10.856 17.863 2.055 1.00 44.24 C ATOM 539 CG1 ILE A 38 9.955 19.008 1.588 1.00 41.21 C ATOM 540 CG2 ILE A 38 10.048 16.678 2.586 1.00 22.30 C ATOM 541 CD1 ILE A 38 9.023 19.465 2.712 1.00 75.24 C ATOM 0 H ILE A 38 12.732 19.460 1.546 1.00 40.42 H new ATOM 0 HA ILE A 38 11.274 18.691 3.945 1.00 32.44 H new ATOM 0 HB ILE A 38 11.408 17.511 1.183 1.00 44.24 H new ATOM 0 HG12 ILE A 38 10.568 19.846 1.256 1.00 41.21 H new ATOM 0 HG13 ILE A 38 9.365 18.685 0.730 1.00 41.21 H new ATOM 0 HG21 ILE A 38 9.338 16.352 1.826 1.00 22.30 H new ATOM 0 HG22 ILE A 38 10.723 15.857 2.828 1.00 22.30 H new ATOM 0 HG23 ILE A 38 9.507 16.979 3.483 1.00 22.30 H new ATOM 0 HD11 ILE A 38 8.393 20.280 2.354 1.00 75.24 H new ATOM 0 HD12 ILE A 38 8.395 18.631 3.025 1.00 75.24 H new ATOM 0 HD13 ILE A 38 9.616 19.810 3.559 1.00 75.24 H new ATOM 553 N GLU A 39 13.369 16.515 2.668 1.00 73.42 N ATOM 554 CA GLU A 39 14.278 15.434 3.010 1.00 12.01 C ATOM 555 C GLU A 39 15.564 15.542 2.188 1.00 33.30 C ATOM 556 O GLU A 39 15.755 16.509 1.453 1.00 63.24 O ATOM 557 CB GLU A 39 13.611 14.072 2.809 1.00 71.11 C ATOM 558 CG GLU A 39 13.659 13.650 1.339 1.00 21.41 C ATOM 559 CD GLU A 39 12.801 12.406 1.097 1.00 14.34 C ATOM 560 OE1 GLU A 39 12.076 11.968 2.003 1.00 73.01 O ATOM 561 OE2 GLU A 39 12.904 11.893 -0.081 1.00 64.24 O ATOM 0 H GLU A 39 13.221 16.647 1.667 1.00 73.42 H new ATOM 0 HA GLU A 39 14.536 15.523 4.065 1.00 12.01 H new ATOM 0 HB2 GLU A 39 14.112 13.323 3.423 1.00 71.11 H new ATOM 0 HB3 GLU A 39 12.575 14.117 3.144 1.00 71.11 H new ATOM 0 HG2 GLU A 39 13.306 14.468 0.711 1.00 21.41 H new ATOM 0 HG3 GLU A 39 14.690 13.447 1.049 1.00 21.41 H new ATOM 569 N LYS A 40 16.412 14.535 2.340 1.00 13.14 N ATOM 570 CA LYS A 40 17.674 14.505 1.621 1.00 31.52 C ATOM 571 C LYS A 40 17.949 13.077 1.144 1.00 45.21 C ATOM 572 O LYS A 40 17.590 12.113 1.818 1.00 55.23 O ATOM 573 CB LYS A 40 18.795 15.093 2.481 1.00 73.32 C ATOM 574 CG LYS A 40 19.816 15.836 1.617 1.00 71.51 C ATOM 575 CD LYS A 40 21.008 16.301 2.455 1.00 10.24 C ATOM 576 CE LYS A 40 20.548 16.829 3.816 1.00 24.20 C ATOM 577 NZ LYS A 40 21.712 17.248 4.629 1.00 31.33 N ATOM 0 H LYS A 40 16.250 13.734 2.950 1.00 13.14 H new ATOM 0 HA LYS A 40 17.622 15.135 0.733 1.00 31.52 H new ATOM 0 HB2 LYS A 40 18.373 15.775 3.219 1.00 73.32 H new ATOM 0 HB3 LYS A 40 19.292 14.295 3.032 1.00 73.32 H new ATOM 0 HG2 LYS A 40 20.163 15.184 0.816 1.00 71.51 H new ATOM 0 HG3 LYS A 40 19.341 16.696 1.145 1.00 71.51 H new ATOM 0 HD2 LYS A 40 21.702 15.473 2.598 1.00 10.24 H new ATOM 0 HD3 LYS A 40 21.549 17.082 1.922 1.00 10.24 H new ATOM 0 HE2 LYS A 40 19.872 17.673 3.676 1.00 24.20 H new ATOM 0 HE3 LYS A 40 19.988 16.056 4.343 1.00 24.20 H new ATOM 0 HZ1 LYS A 40 21.383 17.604 5.549 1.00 31.33 H new ATOM 0 HZ2 LYS A 40 22.342 16.434 4.778 1.00 31.33 H new ATOM 0 HZ3 LYS A 40 22.230 18.001 4.132 1.00 31.33 H new ATOM 590 N LEU A 41 18.585 12.987 -0.015 1.00 5.41 N ATOM 591 CA LEU A 41 18.913 11.694 -0.590 1.00 44.02 C ATOM 592 C LEU A 41 20.347 11.727 -1.124 1.00 71.11 C ATOM 593 O LEU A 41 20.953 12.793 -1.219 1.00 64.31 O ATOM 594 CB LEU A 41 17.875 11.296 -1.641 1.00 11.11 C ATOM 595 CG LEU A 41 16.439 11.749 -1.370 1.00 32.04 C ATOM 596 CD1 LEU A 41 15.645 11.865 -2.672 1.00 60.44 C ATOM 597 CD2 LEU A 41 15.754 10.825 -0.361 1.00 73.31 C ATOM 0 H LEU A 41 18.882 13.789 -0.571 1.00 5.41 H new ATOM 0 HA LEU A 41 18.874 10.917 0.173 1.00 44.02 H new ATOM 0 HB2 LEU A 41 18.187 11.702 -2.603 1.00 11.11 H new ATOM 0 HB3 LEU A 41 17.881 10.210 -1.736 1.00 11.11 H new ATOM 0 HG LEU A 41 16.473 12.743 -0.925 1.00 32.04 H new ATOM 0 HD11 LEU A 41 14.628 12.189 -2.450 1.00 60.44 H new ATOM 0 HD12 LEU A 41 16.123 12.594 -3.326 1.00 60.44 H new ATOM 0 HD13 LEU A 41 15.617 10.895 -3.169 1.00 60.44 H new ATOM 0 HD21 LEU A 41 14.735 11.169 -0.186 1.00 73.31 H new ATOM 0 HD22 LEU A 41 15.731 9.809 -0.755 1.00 73.31 H new ATOM 0 HD23 LEU A 41 16.307 10.838 0.578 1.00 73.31 H new ATOM 609 N ILE A 42 20.847 10.546 -1.459 1.00 10.54 N ATOM 610 CA ILE A 42 22.198 10.427 -1.980 1.00 72.44 C ATOM 611 C ILE A 42 22.136 10.038 -3.459 1.00 1.00 C ATOM 612 O ILE A 42 21.203 9.362 -3.888 1.00 74.03 O ATOM 613 CB ILE A 42 23.019 9.460 -1.124 1.00 41.53 C ATOM 614 CG1 ILE A 42 23.375 10.089 0.224 1.00 14.44 C ATOM 615 CG2 ILE A 42 24.261 8.980 -1.878 1.00 1.30 C ATOM 616 CD1 ILE A 42 22.115 10.536 0.970 1.00 43.21 C ATOM 0 H ILE A 42 20.341 9.664 -1.380 1.00 10.54 H new ATOM 0 HA ILE A 42 22.715 11.385 -1.922 1.00 72.44 H new ATOM 0 HB ILE A 42 22.407 8.582 -0.918 1.00 41.53 H new ATOM 0 HG12 ILE A 42 23.926 9.370 0.831 1.00 14.44 H new ATOM 0 HG13 ILE A 42 24.032 10.944 0.068 1.00 14.44 H new ATOM 0 HG21 ILE A 42 24.827 8.294 -1.248 1.00 1.30 H new ATOM 0 HG22 ILE A 42 23.957 8.467 -2.791 1.00 1.30 H new ATOM 0 HG23 ILE A 42 24.885 9.836 -2.134 1.00 1.30 H new ATOM 0 HD11 ILE A 42 22.396 10.980 1.925 1.00 43.21 H new ATOM 0 HD12 ILE A 42 21.580 11.273 0.371 1.00 43.21 H new ATOM 0 HD13 ILE A 42 21.471 9.674 1.146 1.00 43.21 H new ATOM 628 N ILE A 43 23.143 10.482 -4.197 1.00 52.11 N ATOM 629 CA ILE A 43 23.215 10.189 -5.618 1.00 53.25 C ATOM 630 C ILE A 43 24.668 9.904 -6.003 1.00 51.21 C ATOM 631 O ILE A 43 25.012 9.899 -7.184 1.00 54.22 O ATOM 632 CB ILE A 43 22.573 11.316 -6.431 1.00 22.12 C ATOM 633 CG1 ILE A 43 23.114 12.680 -5.998 1.00 14.31 C ATOM 634 CG2 ILE A 43 21.047 11.251 -6.348 1.00 12.34 C ATOM 635 CD1 ILE A 43 24.063 13.253 -7.052 1.00 4.33 C ATOM 0 H ILE A 43 23.916 11.042 -3.837 1.00 52.11 H new ATOM 0 HA ILE A 43 22.641 9.292 -5.851 1.00 53.25 H new ATOM 0 HB ILE A 43 22.844 11.180 -7.478 1.00 22.12 H new ATOM 0 HG12 ILE A 43 22.285 13.369 -5.837 1.00 14.31 H new ATOM 0 HG13 ILE A 43 23.637 12.582 -5.047 1.00 14.31 H new ATOM 0 HG21 ILE A 43 20.616 12.063 -6.934 1.00 12.34 H new ATOM 0 HG22 ILE A 43 20.702 10.295 -6.742 1.00 12.34 H new ATOM 0 HG23 ILE A 43 20.735 11.349 -5.308 1.00 12.34 H new ATOM 0 HD11 ILE A 43 24.433 14.223 -6.719 1.00 4.33 H new ATOM 0 HD12 ILE A 43 24.903 12.573 -7.193 1.00 4.33 H new ATOM 0 HD13 ILE A 43 23.530 13.372 -7.995 1.00 4.33 H new ATOM 647 N ASP A 44 25.482 9.674 -4.984 1.00 21.14 N ATOM 648 CA ASP A 44 26.890 9.389 -5.200 1.00 64.21 C ATOM 649 C ASP A 44 27.163 7.918 -4.881 1.00 62.53 C ATOM 650 O ASP A 44 28.051 7.605 -4.089 1.00 73.51 O ATOM 651 CB ASP A 44 27.772 10.242 -4.286 1.00 31.00 C ATOM 652 CG ASP A 44 27.501 10.077 -2.789 1.00 43.41 C ATOM 653 OD1 ASP A 44 27.009 9.032 -2.340 1.00 73.44 O ATOM 654 OD2 ASP A 44 27.822 11.094 -2.062 1.00 64.51 O ATOM 0 H ASP A 44 25.193 9.679 -4.006 1.00 21.14 H new ATOM 0 HA ASP A 44 27.124 9.616 -6.240 1.00 64.21 H new ATOM 0 HB2 ASP A 44 28.816 9.996 -4.480 1.00 31.00 H new ATOM 0 HB3 ASP A 44 27.637 11.291 -4.551 1.00 31.00 H new ATOM 660 N GLU A 45 26.384 7.053 -5.515 1.00 12.43 N ATOM 661 CA GLU A 45 26.530 5.623 -5.309 1.00 23.45 C ATOM 662 C GLU A 45 26.374 4.876 -6.635 1.00 42.41 C ATOM 663 O GLU A 45 27.172 3.996 -6.954 1.00 1.31 O ATOM 664 CB GLU A 45 25.528 5.113 -4.271 1.00 72.43 C ATOM 665 CG GLU A 45 25.204 6.197 -3.242 1.00 40.41 C ATOM 666 CD GLU A 45 24.712 5.580 -1.931 1.00 44.22 C ATOM 667 OE1 GLU A 45 23.579 5.850 -1.506 1.00 22.42 O ATOM 668 OE2 GLU A 45 25.554 4.794 -1.350 1.00 34.14 O ATOM 0 H GLU A 45 25.649 7.316 -6.172 1.00 12.43 H new ATOM 0 HA GLU A 45 27.531 5.432 -4.923 1.00 23.45 H new ATOM 0 HB2 GLU A 45 24.612 4.795 -4.770 1.00 72.43 H new ATOM 0 HB3 GLU A 45 25.936 4.238 -3.766 1.00 72.43 H new ATOM 0 HG2 GLU A 45 26.092 6.801 -3.053 1.00 40.41 H new ATOM 0 HG3 GLU A 45 24.442 6.866 -3.641 1.00 40.41 H new ATOM 676 N LYS A 46 25.341 5.255 -7.373 1.00 12.55 N ATOM 677 CA LYS A 46 25.070 4.633 -8.657 1.00 51.23 C ATOM 678 C LYS A 46 25.247 5.670 -9.769 1.00 25.43 C ATOM 679 O LYS A 46 25.679 6.793 -9.512 1.00 34.41 O ATOM 680 CB LYS A 46 23.692 3.969 -8.651 1.00 32.53 C ATOM 681 CG LYS A 46 22.659 4.854 -7.951 1.00 2.34 C ATOM 682 CD LYS A 46 22.435 6.154 -8.727 1.00 23.24 C ATOM 683 CE LYS A 46 23.009 7.352 -7.967 1.00 33.31 C ATOM 684 NZ LYS A 46 22.288 8.591 -8.334 1.00 12.24 N ATOM 0 H LYS A 46 24.681 5.986 -7.106 1.00 12.55 H new ATOM 0 HA LYS A 46 25.784 3.832 -8.850 1.00 51.23 H new ATOM 0 HB2 LYS A 46 23.374 3.774 -9.675 1.00 32.53 H new ATOM 0 HB3 LYS A 46 23.751 3.005 -8.146 1.00 32.53 H new ATOM 0 HG2 LYS A 46 21.716 4.315 -7.858 1.00 2.34 H new ATOM 0 HG3 LYS A 46 22.996 5.083 -6.940 1.00 2.34 H new ATOM 0 HD2 LYS A 46 22.905 6.082 -9.708 1.00 23.24 H new ATOM 0 HD3 LYS A 46 21.368 6.302 -8.895 1.00 23.24 H new ATOM 0 HE2 LYS A 46 22.929 7.182 -6.893 1.00 33.31 H new ATOM 0 HE3 LYS A 46 24.070 7.460 -8.194 1.00 33.31 H new ATOM 0 HZ1 LYS A 46 22.932 9.404 -8.255 1.00 12.24 H new ATOM 0 HZ2 LYS A 46 21.944 8.515 -9.312 1.00 12.24 H new ATOM 0 HZ3 LYS A 46 21.481 8.726 -7.692 1.00 12.24 H new ATOM 697 N LYS A 47 24.906 5.256 -10.980 1.00 62.41 N ATOM 698 CA LYS A 47 25.023 6.134 -12.132 1.00 15.24 C ATOM 699 C LYS A 47 23.632 6.388 -12.716 1.00 53.24 C ATOM 700 O LYS A 47 23.483 7.163 -13.661 1.00 24.54 O ATOM 701 CB LYS A 47 26.020 5.564 -13.142 1.00 72.21 C ATOM 702 CG LYS A 47 25.296 4.818 -14.266 1.00 3.54 C ATOM 703 CD LYS A 47 24.658 3.529 -13.746 1.00 22.33 C ATOM 704 CE LYS A 47 25.715 2.595 -13.152 1.00 72.11 C ATOM 705 NZ LYS A 47 25.194 1.212 -13.065 1.00 44.05 N ATOM 0 H LYS A 47 24.548 4.324 -11.189 1.00 62.41 H new ATOM 0 HA LYS A 47 25.426 7.102 -11.834 1.00 15.24 H new ATOM 0 HB2 LYS A 47 26.618 6.372 -13.563 1.00 72.21 H new ATOM 0 HB3 LYS A 47 26.709 4.887 -12.636 1.00 72.21 H new ATOM 0 HG2 LYS A 47 24.528 5.460 -14.697 1.00 3.54 H new ATOM 0 HG3 LYS A 47 26.000 4.583 -15.064 1.00 3.54 H new ATOM 0 HD2 LYS A 47 23.912 3.768 -12.988 1.00 22.33 H new ATOM 0 HD3 LYS A 47 24.136 3.024 -14.559 1.00 22.33 H new ATOM 0 HE2 LYS A 47 26.613 2.613 -13.769 1.00 72.11 H new ATOM 0 HE3 LYS A 47 26.002 2.945 -12.160 1.00 72.11 H new ATOM 0 HZ1 LYS A 47 25.923 0.591 -12.660 1.00 44.05 H new ATOM 0 HZ2 LYS A 47 24.350 1.197 -12.458 1.00 44.05 H new ATOM 0 HZ3 LYS A 47 24.942 0.875 -14.016 1.00 44.05 H new ATOM 718 N TYR A 48 22.648 5.721 -12.131 1.00 51.31 N ATOM 719 CA TYR A 48 21.274 5.865 -12.582 1.00 41.13 C ATOM 720 C TYR A 48 20.294 5.348 -11.528 1.00 34.22 C ATOM 721 O TYR A 48 20.397 4.204 -11.087 1.00 3.35 O ATOM 722 CB TYR A 48 21.152 5.004 -13.841 1.00 54.53 C ATOM 723 CG TYR A 48 20.492 3.645 -13.604 1.00 33.24 C ATOM 724 CD1 TYR A 48 19.149 3.574 -13.290 1.00 5.43 C ATOM 725 CD2 TYR A 48 21.238 2.488 -13.703 1.00 45.52 C ATOM 726 CE1 TYR A 48 18.528 2.295 -13.066 1.00 64.31 C ATOM 727 CE2 TYR A 48 20.617 1.209 -13.480 1.00 24.35 C ATOM 728 CZ TYR A 48 19.293 1.175 -13.172 1.00 60.01 C ATOM 729 OH TYR A 48 18.706 -0.034 -12.961 1.00 4.32 O ATOM 0 H TYR A 48 22.775 5.079 -11.348 1.00 51.31 H new ATOM 0 HA TYR A 48 21.038 6.913 -12.767 1.00 41.13 H new ATOM 0 HB2 TYR A 48 20.576 5.551 -14.588 1.00 54.53 H new ATOM 0 HB3 TYR A 48 22.146 4.846 -14.258 1.00 54.53 H new ATOM 0 HD1 TYR A 48 18.564 4.479 -13.212 1.00 5.43 H new ATOM 0 HD2 TYR A 48 22.288 2.542 -13.948 1.00 45.52 H new ATOM 0 HE1 TYR A 48 17.479 2.226 -12.819 1.00 64.31 H new ATOM 0 HE2 TYR A 48 21.190 0.297 -13.556 1.00 24.35 H new ATOM 0 HH TYR A 48 19.372 -0.745 -13.071 1.00 4.32 H new ATOM 739 N TYR A 49 19.364 6.215 -11.154 1.00 60.24 N ATOM 740 CA TYR A 49 18.366 5.860 -10.160 1.00 73.20 C ATOM 741 C TYR A 49 16.957 5.914 -10.754 1.00 73.41 C ATOM 742 O TYR A 49 16.795 6.004 -11.970 1.00 70.41 O ATOM 743 CB TYR A 49 18.480 6.910 -9.054 1.00 3.52 C ATOM 744 CG TYR A 49 19.233 6.427 -7.812 1.00 40.55 C ATOM 745 CD1 TYR A 49 19.081 5.127 -7.376 1.00 24.11 C ATOM 746 CD2 TYR A 49 20.064 7.292 -7.129 1.00 53.22 C ATOM 747 CE1 TYR A 49 19.790 4.672 -6.208 1.00 11.34 C ATOM 748 CE2 TYR A 49 20.772 6.838 -5.961 1.00 22.41 C ATOM 749 CZ TYR A 49 20.600 5.550 -5.558 1.00 4.12 C ATOM 750 OH TYR A 49 21.269 5.121 -4.454 1.00 65.34 O ATOM 0 H TYR A 49 19.281 7.163 -11.522 1.00 60.24 H new ATOM 0 HA TYR A 49 18.533 4.847 -9.794 1.00 73.20 H new ATOM 0 HB2 TYR A 49 18.985 7.790 -9.453 1.00 3.52 H new ATOM 0 HB3 TYR A 49 17.478 7.223 -8.760 1.00 3.52 H new ATOM 0 HD1 TYR A 49 18.430 4.451 -7.911 1.00 24.11 H new ATOM 0 HD2 TYR A 49 20.183 8.309 -7.471 1.00 53.22 H new ATOM 0 HE1 TYR A 49 19.681 3.657 -5.856 1.00 11.34 H new ATOM 0 HE2 TYR A 49 21.425 7.505 -5.417 1.00 22.41 H new ATOM 0 HH TYR A 49 21.810 5.854 -4.094 1.00 65.34 H new ATOM 760 N LEU A 50 15.973 5.856 -9.868 1.00 41.24 N ATOM 761 CA LEU A 50 14.583 5.897 -10.290 1.00 1.21 C ATOM 762 C LEU A 50 13.829 6.925 -9.445 1.00 15.33 C ATOM 763 O LEU A 50 14.393 7.510 -8.521 1.00 62.14 O ATOM 764 CB LEU A 50 13.969 4.497 -10.248 1.00 31.52 C ATOM 765 CG LEU A 50 14.513 3.495 -11.268 1.00 22.50 C ATOM 766 CD1 LEU A 50 15.466 2.499 -10.604 1.00 4.11 C ATOM 767 CD2 LEU A 50 13.373 2.791 -12.007 1.00 63.22 C ATOM 0 H LEU A 50 16.111 5.781 -8.860 1.00 41.24 H new ATOM 0 HA LEU A 50 14.509 6.221 -11.328 1.00 1.21 H new ATOM 0 HB2 LEU A 50 14.118 4.086 -9.250 1.00 31.52 H new ATOM 0 HB3 LEU A 50 12.893 4.589 -10.397 1.00 31.52 H new ATOM 0 HG LEU A 50 15.089 4.045 -12.013 1.00 22.50 H new ATOM 0 HD11 LEU A 50 15.838 1.798 -11.351 1.00 4.11 H new ATOM 0 HD12 LEU A 50 16.304 3.037 -10.162 1.00 4.11 H new ATOM 0 HD13 LEU A 50 14.935 1.951 -9.825 1.00 4.11 H new ATOM 0 HD21 LEU A 50 13.787 2.084 -12.726 1.00 63.22 H new ATOM 0 HD22 LEU A 50 12.750 2.256 -11.290 1.00 63.22 H new ATOM 0 HD23 LEU A 50 12.768 3.530 -12.532 1.00 63.22 H new ATOM 779 N PHE A 51 12.564 7.115 -9.791 1.00 34.44 N ATOM 780 CA PHE A 51 11.726 8.062 -9.075 1.00 72.01 C ATOM 781 C PHE A 51 10.250 7.860 -9.423 1.00 54.32 C ATOM 782 O PHE A 51 9.823 8.164 -10.536 1.00 44.32 O ATOM 783 CB PHE A 51 12.155 9.462 -9.518 1.00 2.00 C ATOM 784 CG PHE A 51 13.123 10.150 -8.553 1.00 44.14 C ATOM 785 CD1 PHE A 51 12.675 10.617 -7.358 1.00 11.05 C ATOM 786 CD2 PHE A 51 14.433 10.295 -8.892 1.00 73.41 C ATOM 787 CE1 PHE A 51 13.573 11.256 -6.462 1.00 65.53 C ATOM 788 CE2 PHE A 51 15.331 10.933 -7.997 1.00 2.10 C ATOM 789 CZ PHE A 51 14.883 11.400 -6.801 1.00 53.00 C ATOM 0 H PHE A 51 12.099 6.629 -10.558 1.00 34.44 H new ATOM 0 HA PHE A 51 11.841 7.922 -8.000 1.00 72.01 H new ATOM 0 HB2 PHE A 51 12.624 9.394 -10.500 1.00 2.00 H new ATOM 0 HB3 PHE A 51 11.267 10.084 -9.631 1.00 2.00 H new ATOM 0 HD1 PHE A 51 11.635 10.502 -7.089 1.00 11.05 H new ATOM 0 HD2 PHE A 51 14.789 9.925 -9.842 1.00 73.41 H new ATOM 0 HE1 PHE A 51 13.216 11.627 -5.513 1.00 65.53 H new ATOM 0 HE2 PHE A 51 16.371 11.048 -8.266 1.00 2.10 H new ATOM 0 HZ PHE A 51 15.567 11.885 -6.120 1.00 53.00 H new ATOM 799 N GLY A 52 9.510 7.349 -8.450 1.00 72.33 N ATOM 800 CA GLY A 52 8.090 7.103 -8.640 1.00 23.12 C ATOM 801 C GLY A 52 7.384 6.908 -7.297 1.00 35.31 C ATOM 802 O GLY A 52 7.067 7.878 -6.611 1.00 3.41 O ATOM 0 H GLY A 52 9.867 7.099 -7.528 1.00 72.33 H new ATOM 0 HA2 GLY A 52 7.640 7.940 -9.173 1.00 23.12 H new ATOM 0 HA3 GLY A 52 7.950 6.218 -9.261 1.00 23.12 H new ATOM 806 N ARG A 53 7.156 5.646 -6.962 1.00 5.12 N ATOM 807 CA ARG A 53 6.493 5.311 -5.713 1.00 51.23 C ATOM 808 C ARG A 53 6.813 3.870 -5.312 1.00 74.44 C ATOM 809 O ARG A 53 7.062 3.588 -4.141 1.00 74.02 O ATOM 810 CB ARG A 53 4.977 5.475 -5.834 1.00 54.41 C ATOM 811 CG ARG A 53 4.607 6.236 -7.109 1.00 64.24 C ATOM 812 CD ARG A 53 3.089 6.322 -7.276 1.00 71.55 C ATOM 813 NE ARG A 53 2.539 4.986 -7.600 1.00 42.11 N ATOM 814 CZ ARG A 53 1.257 4.762 -7.958 1.00 71.10 C ATOM 815 NH1 ARG A 53 0.380 5.785 -8.041 1.00 71.12 N ATOM 816 NH2 ARG A 53 0.874 3.527 -8.225 1.00 55.43 N ATOM 0 H ARG A 53 7.419 4.843 -7.534 1.00 5.12 H new ATOM 0 HA ARG A 53 6.861 5.995 -4.948 1.00 51.23 H new ATOM 0 HB2 ARG A 53 4.501 4.494 -5.841 1.00 54.41 H new ATOM 0 HB3 ARG A 53 4.595 6.009 -4.964 1.00 54.41 H new ATOM 0 HG2 ARG A 53 5.030 7.240 -7.073 1.00 64.24 H new ATOM 0 HG3 ARG A 53 5.044 5.737 -7.974 1.00 64.24 H new ATOM 0 HD2 ARG A 53 2.635 6.699 -6.360 1.00 71.55 H new ATOM 0 HD3 ARG A 53 2.841 7.028 -8.068 1.00 71.55 H new ATOM 0 HE ARG A 53 3.168 4.185 -7.550 1.00 42.11 H new ATOM 0 HH11 ARG A 53 0.684 6.736 -7.832 1.00 71.12 H new ATOM 0 HH12 ARG A 53 -0.587 5.607 -8.312 1.00 71.12 H new ATOM 0 HH21 ARG A 53 1.543 2.760 -8.159 1.00 55.43 H new ATOM 0 HH22 ARG A 53 -0.091 3.340 -8.497 1.00 55.43 H new ATOM 829 N ASN A 54 6.795 2.995 -6.307 1.00 62.22 N ATOM 830 CA ASN A 54 7.080 1.589 -6.073 1.00 1.31 C ATOM 831 C ASN A 54 8.595 1.386 -6.000 1.00 33.32 C ATOM 832 O ASN A 54 9.292 1.523 -7.003 1.00 63.25 O ATOM 833 CB ASN A 54 6.541 0.721 -7.211 1.00 72.12 C ATOM 834 CG ASN A 54 5.642 -0.393 -6.672 1.00 73.40 C ATOM 835 OD1 ASN A 54 4.507 -0.565 -7.085 1.00 35.10 O ATOM 836 ND2 ASN A 54 6.210 -1.139 -5.729 1.00 5.22 N ATOM 0 H ASN A 54 6.588 3.232 -7.277 1.00 62.22 H new ATOM 0 HA ASN A 54 6.599 1.298 -5.139 1.00 1.31 H new ATOM 0 HB2 ASN A 54 5.979 1.340 -7.911 1.00 72.12 H new ATOM 0 HB3 ASN A 54 7.372 0.286 -7.766 1.00 72.12 H new ATOM 0 HD21 ASN A 54 5.691 -1.909 -5.306 1.00 5.22 H new ATOM 0 HD22 ASN A 54 7.165 -0.941 -5.428 1.00 5.22 H new ATOM 843 N PRO A 55 9.071 1.053 -4.770 1.00 42.21 N ATOM 844 CA PRO A 55 10.490 0.829 -4.553 1.00 3.32 C ATOM 845 C PRO A 55 10.926 -0.521 -5.125 1.00 44.12 C ATOM 846 O PRO A 55 12.109 -0.736 -5.386 1.00 2.13 O ATOM 847 CB PRO A 55 10.678 0.925 -3.047 1.00 74.15 C ATOM 848 CG PRO A 55 9.296 0.736 -2.443 1.00 20.44 C ATOM 849 CD PRO A 55 8.275 0.882 -3.559 1.00 14.13 C ATOM 0 HA PRO A 55 11.114 1.560 -5.066 1.00 3.32 H new ATOM 0 HB2 PRO A 55 11.368 0.161 -2.690 1.00 74.15 H new ATOM 0 HB3 PRO A 55 11.098 1.891 -2.766 1.00 74.15 H new ATOM 0 HG2 PRO A 55 9.214 -0.246 -1.977 1.00 20.44 H new ATOM 0 HG3 PRO A 55 9.116 1.475 -1.662 1.00 20.44 H new ATOM 0 HD2 PRO A 55 7.635 0.003 -3.627 1.00 14.13 H new ATOM 0 HD3 PRO A 55 7.623 1.739 -3.389 1.00 14.13 H new ATOM 857 N ASP A 56 9.948 -1.396 -5.304 1.00 55.42 N ATOM 858 CA ASP A 56 10.215 -2.719 -5.841 1.00 64.00 C ATOM 859 C ASP A 56 10.835 -2.584 -7.233 1.00 72.05 C ATOM 860 O ASP A 56 11.398 -3.542 -7.762 1.00 55.30 O ATOM 861 CB ASP A 56 8.925 -3.531 -5.974 1.00 44.22 C ATOM 862 CG ASP A 56 9.085 -4.892 -6.654 1.00 62.02 C ATOM 863 OD1 ASP A 56 10.033 -5.640 -6.371 1.00 72.01 O ATOM 864 OD2 ASP A 56 8.173 -5.179 -7.520 1.00 62.22 O ATOM 0 H ASP A 56 8.968 -1.214 -5.086 1.00 55.42 H new ATOM 0 HA ASP A 56 10.893 -3.230 -5.157 1.00 64.00 H new ATOM 0 HB2 ASP A 56 8.507 -3.686 -4.979 1.00 44.22 H new ATOM 0 HB3 ASP A 56 8.200 -2.943 -6.537 1.00 44.22 H new ATOM 870 N LEU A 57 10.710 -1.387 -7.788 1.00 64.20 N ATOM 871 CA LEU A 57 11.251 -1.114 -9.109 1.00 21.51 C ATOM 872 C LEU A 57 12.215 0.071 -9.026 1.00 13.01 C ATOM 873 O LEU A 57 13.318 0.018 -9.567 1.00 70.22 O ATOM 874 CB LEU A 57 10.120 -0.918 -10.121 1.00 23.24 C ATOM 875 CG LEU A 57 8.750 -1.459 -9.708 1.00 72.42 C ATOM 876 CD1 LEU A 57 7.647 -0.904 -10.611 1.00 72.55 C ATOM 877 CD2 LEU A 57 8.751 -2.989 -9.678 1.00 73.12 C ATOM 0 H LEU A 57 10.242 -0.595 -7.347 1.00 64.20 H new ATOM 0 HA LEU A 57 11.825 -1.967 -9.469 1.00 21.51 H new ATOM 0 HB2 LEU A 57 10.021 0.148 -10.324 1.00 23.24 H new ATOM 0 HB3 LEU A 57 10.410 -1.395 -11.057 1.00 23.24 H new ATOM 0 HG LEU A 57 8.539 -1.117 -8.695 1.00 72.42 H new ATOM 0 HD11 LEU A 57 6.683 -1.304 -10.296 1.00 72.55 H new ATOM 0 HD12 LEU A 57 7.630 0.183 -10.538 1.00 72.55 H new ATOM 0 HD13 LEU A 57 7.841 -1.195 -11.643 1.00 72.55 H new ATOM 0 HD21 LEU A 57 7.765 -3.348 -9.381 1.00 73.12 H new ATOM 0 HD22 LEU A 57 8.994 -3.372 -10.669 1.00 73.12 H new ATOM 0 HD23 LEU A 57 9.495 -3.338 -8.962 1.00 73.12 H new ATOM 889 N CYS A 58 11.763 1.113 -8.344 1.00 11.20 N ATOM 890 CA CYS A 58 12.571 2.310 -8.183 1.00 63.12 C ATOM 891 C CYS A 58 13.324 2.206 -6.856 1.00 4.15 C ATOM 892 O CYS A 58 12.990 1.376 -6.011 1.00 41.15 O ATOM 893 CB CYS A 58 11.722 3.580 -8.260 1.00 43.50 C ATOM 894 SG CYS A 58 10.671 3.541 -9.757 1.00 74.21 S ATOM 0 H CYS A 58 10.847 1.153 -7.896 1.00 11.20 H new ATOM 0 HA CYS A 58 13.288 2.381 -9.001 1.00 63.12 H new ATOM 0 HB2 CYS A 58 11.098 3.665 -7.370 1.00 43.50 H new ATOM 0 HB3 CYS A 58 12.368 4.458 -8.282 1.00 43.50 H new ATOM 0 HG CYS A 58 9.455 3.876 -9.442 1.00 74.21 H new ATOM 900 N ASP A 59 14.327 3.060 -6.712 1.00 52.41 N ATOM 901 CA ASP A 59 15.130 3.075 -5.501 1.00 41.13 C ATOM 902 C ASP A 59 14.533 4.076 -4.510 1.00 51.45 C ATOM 903 O ASP A 59 14.614 3.880 -3.299 1.00 23.01 O ATOM 904 CB ASP A 59 16.568 3.505 -5.799 1.00 53.34 C ATOM 905 CG ASP A 59 17.627 2.912 -4.868 1.00 34.21 C ATOM 906 OD1 ASP A 59 18.045 3.548 -3.889 1.00 72.21 O ATOM 907 OD2 ASP A 59 18.030 1.728 -5.185 1.00 40.32 O ATOM 0 H ASP A 59 14.602 3.747 -7.414 1.00 52.41 H new ATOM 0 HA ASP A 59 15.133 2.067 -5.086 1.00 41.13 H new ATOM 0 HB2 ASP A 59 16.810 3.225 -6.824 1.00 53.34 H new ATOM 0 HB3 ASP A 59 16.625 4.592 -5.743 1.00 53.34 H new ATOM 913 N PHE A 60 13.946 5.128 -5.062 1.00 51.14 N ATOM 914 CA PHE A 60 13.335 6.160 -4.242 1.00 42.53 C ATOM 915 C PHE A 60 11.809 6.077 -4.302 1.00 73.13 C ATOM 916 O PHE A 60 11.256 5.105 -4.816 1.00 43.30 O ATOM 917 CB PHE A 60 13.783 7.508 -4.812 1.00 62.33 C ATOM 918 CG PHE A 60 15.186 7.933 -4.374 1.00 11.52 C ATOM 919 CD1 PHE A 60 16.028 7.025 -3.814 1.00 25.41 C ATOM 920 CD2 PHE A 60 15.590 9.221 -4.544 1.00 61.11 C ATOM 921 CE1 PHE A 60 17.330 7.420 -3.407 1.00 64.31 C ATOM 922 CE2 PHE A 60 16.892 9.616 -4.137 1.00 71.13 C ATOM 923 CZ PHE A 60 17.735 8.707 -3.577 1.00 54.14 C ATOM 0 H PHE A 60 13.881 5.288 -6.067 1.00 51.14 H new ATOM 0 HA PHE A 60 13.638 6.036 -3.202 1.00 42.53 H new ATOM 0 HB2 PHE A 60 13.753 7.459 -5.900 1.00 62.33 H new ATOM 0 HB3 PHE A 60 13.071 8.275 -4.507 1.00 62.33 H new ATOM 0 HD1 PHE A 60 15.707 6.003 -3.678 1.00 25.41 H new ATOM 0 HD2 PHE A 60 14.921 9.943 -4.988 1.00 61.11 H new ATOM 0 HE1 PHE A 60 17.999 6.698 -2.962 1.00 64.31 H new ATOM 0 HE2 PHE A 60 17.213 10.638 -4.272 1.00 71.13 H new ATOM 0 HZ PHE A 60 18.725 9.007 -3.268 1.00 54.14 H new ATOM 933 N THR A 61 11.170 7.108 -3.770 1.00 1.51 N ATOM 934 CA THR A 61 9.718 7.164 -3.756 1.00 61.15 C ATOM 935 C THR A 61 9.241 8.614 -3.663 1.00 53.41 C ATOM 936 O THR A 61 9.535 9.307 -2.690 1.00 53.11 O ATOM 937 CB THR A 61 9.222 6.286 -2.606 1.00 61.30 C ATOM 938 OG1 THR A 61 10.184 6.489 -1.574 1.00 52.14 O ATOM 939 CG2 THR A 61 9.325 4.792 -2.923 1.00 5.43 C ATOM 0 H THR A 61 11.632 7.912 -3.345 1.00 1.51 H new ATOM 0 HA THR A 61 9.298 6.776 -4.684 1.00 61.15 H new ATOM 0 HB THR A 61 8.186 6.538 -2.378 1.00 61.30 H new ATOM 0 HG1 THR A 61 9.938 5.957 -0.788 1.00 52.14 H new ATOM 0 HG21 THR A 61 8.960 4.214 -2.074 1.00 5.43 H new ATOM 0 HG22 THR A 61 8.723 4.564 -3.803 1.00 5.43 H new ATOM 0 HG23 THR A 61 10.365 4.532 -3.118 1.00 5.43 H new ATOM 947 N ILE A 62 8.512 9.031 -4.688 1.00 42.13 N ATOM 948 CA ILE A 62 7.991 10.387 -4.734 1.00 62.22 C ATOM 949 C ILE A 62 6.960 10.570 -3.619 1.00 54.13 C ATOM 950 O ILE A 62 6.854 11.649 -3.038 1.00 30.34 O ATOM 951 CB ILE A 62 7.452 10.706 -6.130 1.00 12.51 C ATOM 952 CG1 ILE A 62 8.471 10.338 -7.209 1.00 45.15 C ATOM 953 CG2 ILE A 62 7.017 12.170 -6.228 1.00 10.24 C ATOM 954 CD1 ILE A 62 7.961 10.723 -8.600 1.00 22.33 C ATOM 0 H ILE A 62 8.270 8.454 -5.493 1.00 42.13 H new ATOM 0 HA ILE A 62 8.788 11.109 -4.553 1.00 62.22 H new ATOM 0 HB ILE A 62 6.566 10.094 -6.302 1.00 12.51 H new ATOM 0 HG12 ILE A 62 9.415 10.845 -7.011 1.00 45.15 H new ATOM 0 HG13 ILE A 62 8.671 9.267 -7.175 1.00 45.15 H new ATOM 0 HG21 ILE A 62 6.638 12.371 -7.230 1.00 10.24 H new ATOM 0 HG22 ILE A 62 6.232 12.366 -5.497 1.00 10.24 H new ATOM 0 HG23 ILE A 62 7.870 12.817 -6.027 1.00 10.24 H new ATOM 0 HD11 ILE A 62 8.705 10.450 -9.349 1.00 22.33 H new ATOM 0 HD12 ILE A 62 7.030 10.195 -8.805 1.00 22.33 H new ATOM 0 HD13 ILE A 62 7.785 11.798 -8.638 1.00 22.33 H new ATOM 966 N ASP A 63 6.225 9.500 -3.355 1.00 32.21 N ATOM 967 CA ASP A 63 5.205 9.529 -2.320 1.00 42.00 C ATOM 968 C ASP A 63 4.016 10.360 -2.805 1.00 52.13 C ATOM 969 O ASP A 63 3.619 11.323 -2.151 1.00 41.54 O ATOM 970 CB ASP A 63 5.739 10.172 -1.039 1.00 25.55 C ATOM 971 CG ASP A 63 4.935 9.860 0.225 1.00 12.20 C ATOM 972 OD1 ASP A 63 4.775 8.692 0.609 1.00 63.00 O ATOM 973 OD2 ASP A 63 4.454 10.891 0.833 1.00 1.41 O ATOM 0 H ASP A 63 6.315 8.607 -3.840 1.00 32.21 H new ATOM 0 HA ASP A 63 4.907 8.501 -2.111 1.00 42.00 H new ATOM 0 HB2 ASP A 63 6.767 9.844 -0.887 1.00 25.55 H new ATOM 0 HB3 ASP A 63 5.766 11.253 -1.177 1.00 25.55 H new ATOM 979 N HIS A 64 3.480 9.957 -3.948 1.00 41.11 N ATOM 980 CA HIS A 64 2.344 10.653 -4.529 1.00 21.45 C ATOM 981 C HIS A 64 1.577 9.702 -5.450 1.00 50.53 C ATOM 982 O HIS A 64 2.179 8.973 -6.236 1.00 45.04 O ATOM 983 CB HIS A 64 2.794 11.931 -5.237 1.00 44.53 C ATOM 984 CG HIS A 64 1.792 13.059 -5.166 1.00 70.30 C ATOM 985 ND1 HIS A 64 0.553 12.923 -4.564 1.00 41.21 N ATOM 986 CD2 HIS A 64 1.859 14.341 -5.626 1.00 14.12 C ATOM 987 CE1 HIS A 64 -0.089 14.078 -4.664 1.00 22.11 C ATOM 988 NE2 HIS A 64 0.722 14.955 -5.323 1.00 13.23 N ATOM 0 H HIS A 64 3.811 9.157 -4.487 1.00 41.11 H new ATOM 0 HA HIS A 64 1.662 10.967 -3.739 1.00 21.45 H new ATOM 0 HB2 HIS A 64 3.734 12.266 -4.798 1.00 44.53 H new ATOM 0 HB3 HIS A 64 2.995 11.703 -6.284 1.00 44.53 H new ATOM 0 HD2 HIS A 64 2.695 14.782 -6.148 1.00 14.12 H new ATOM 0 HE1 HIS A 64 -1.080 14.288 -4.290 1.00 22.11 H new ATOM 0 HE2 HIS A 64 0.492 15.923 -5.546 1.00 13.23 H new ATOM 996 N GLN A 65 0.259 9.742 -5.323 1.00 72.01 N ATOM 997 CA GLN A 65 -0.597 8.894 -6.135 1.00 32.41 C ATOM 998 C GLN A 65 -0.553 9.339 -7.598 1.00 2.52 C ATOM 999 O GLN A 65 -0.561 8.508 -8.504 1.00 43.13 O ATOM 1000 CB GLN A 65 -2.032 8.895 -5.605 1.00 13.14 C ATOM 1001 CG GLN A 65 -2.804 10.114 -6.114 1.00 40.03 C ATOM 1002 CD GLN A 65 -4.197 10.183 -5.486 1.00 75.32 C ATOM 1003 OE1 GLN A 65 -5.108 9.458 -5.852 1.00 60.24 O ATOM 1004 NE2 GLN A 65 -4.312 11.092 -4.523 1.00 14.14 N ATOM 0 H GLN A 65 -0.237 10.348 -4.670 1.00 72.01 H new ATOM 0 HA GLN A 65 -0.223 7.872 -6.075 1.00 32.41 H new ATOM 0 HB2 GLN A 65 -2.539 7.982 -5.917 1.00 13.14 H new ATOM 0 HB3 GLN A 65 -2.021 8.896 -4.515 1.00 13.14 H new ATOM 0 HG2 GLN A 65 -2.250 11.023 -5.880 1.00 40.03 H new ATOM 0 HG3 GLN A 65 -2.893 10.065 -7.199 1.00 40.03 H new ATOM 0 HE21 GLN A 65 -3.509 11.666 -4.265 1.00 14.14 H new ATOM 0 HE22 GLN A 65 -5.203 11.215 -4.042 1.00 14.14 H new ATOM 1013 N SER A 66 -0.507 10.651 -7.782 1.00 71.44 N ATOM 1014 CA SER A 66 -0.461 11.217 -9.120 1.00 34.12 C ATOM 1015 C SER A 66 0.672 10.574 -9.922 1.00 12.01 C ATOM 1016 O SER A 66 0.447 10.052 -11.013 1.00 13.13 O ATOM 1017 CB SER A 66 -0.281 12.735 -9.069 1.00 43.31 C ATOM 1018 OG SER A 66 -1.525 13.417 -8.933 1.00 21.22 O ATOM 0 H SER A 66 -0.501 11.337 -7.028 1.00 71.44 H new ATOM 0 HA SER A 66 -1.410 11.007 -9.613 1.00 34.12 H new ATOM 0 HB2 SER A 66 0.368 12.995 -8.233 1.00 43.31 H new ATOM 0 HB3 SER A 66 0.219 13.071 -9.977 1.00 43.31 H new ATOM 0 HG SER A 66 -1.367 14.384 -8.903 1.00 21.22 H new ATOM 1024 N CYS A 67 1.866 10.633 -9.350 1.00 74.03 N ATOM 1025 CA CYS A 67 3.035 10.063 -9.998 1.00 74.03 C ATOM 1026 C CYS A 67 2.740 8.596 -10.318 1.00 14.15 C ATOM 1027 O CYS A 67 1.608 8.140 -10.165 1.00 74.43 O ATOM 1028 CB CYS A 67 4.290 10.219 -9.138 1.00 64.52 C ATOM 1029 SG CYS A 67 4.624 11.992 -8.832 1.00 74.32 S ATOM 0 H CYS A 67 2.049 11.067 -8.445 1.00 74.03 H new ATOM 0 HA CYS A 67 3.240 10.601 -10.924 1.00 74.03 H new ATOM 0 HB2 CYS A 67 4.159 9.697 -8.190 1.00 64.52 H new ATOM 0 HB3 CYS A 67 5.143 9.761 -9.639 1.00 64.52 H new ATOM 0 HG CYS A 67 5.387 12.459 -9.776 1.00 74.32 H new ATOM 1035 N SER A 68 3.778 7.898 -10.754 1.00 53.33 N ATOM 1036 CA SER A 68 3.644 6.492 -11.096 1.00 51.43 C ATOM 1037 C SER A 68 4.810 5.697 -10.505 1.00 72.05 C ATOM 1038 O SER A 68 5.773 6.278 -10.008 1.00 64.32 O ATOM 1039 CB SER A 68 3.583 6.298 -12.613 1.00 31.24 C ATOM 1040 OG SER A 68 2.339 6.729 -13.157 1.00 15.44 O ATOM 0 H SER A 68 4.716 8.280 -10.878 1.00 53.33 H new ATOM 0 HA SER A 68 2.710 6.124 -10.672 1.00 51.43 H new ATOM 0 HB2 SER A 68 4.395 6.853 -13.082 1.00 31.24 H new ATOM 0 HB3 SER A 68 3.737 5.245 -12.850 1.00 31.24 H new ATOM 0 HG SER A 68 2.341 6.590 -14.127 1.00 15.44 H new ATOM 1046 N ARG A 69 4.684 4.380 -10.580 1.00 14.24 N ATOM 1047 CA ARG A 69 5.715 3.499 -10.058 1.00 52.03 C ATOM 1048 C ARG A 69 7.100 4.006 -10.463 1.00 5.01 C ATOM 1049 O ARG A 69 8.002 4.092 -9.630 1.00 74.41 O ATOM 1050 CB ARG A 69 5.531 2.071 -10.575 1.00 21.55 C ATOM 1051 CG ARG A 69 4.350 1.386 -9.884 1.00 71.30 C ATOM 1052 CD ARG A 69 3.059 1.582 -10.682 1.00 43.11 C ATOM 1053 NE ARG A 69 2.158 0.426 -10.479 1.00 51.02 N ATOM 1054 CZ ARG A 69 2.241 -0.729 -11.173 1.00 30.45 C ATOM 1055 NH1 ARG A 69 3.187 -0.892 -12.121 1.00 62.45 N ATOM 1056 NH2 ARG A 69 1.383 -1.697 -10.909 1.00 20.23 N ATOM 0 H ARG A 69 3.884 3.902 -10.994 1.00 14.24 H new ATOM 0 HA ARG A 69 5.629 3.494 -8.971 1.00 52.03 H new ATOM 0 HB2 ARG A 69 5.366 2.089 -11.652 1.00 21.55 H new ATOM 0 HB3 ARG A 69 6.441 1.497 -10.401 1.00 21.55 H new ATOM 0 HG2 ARG A 69 4.556 0.321 -9.774 1.00 71.30 H new ATOM 0 HG3 ARG A 69 4.226 1.792 -8.880 1.00 71.30 H new ATOM 0 HD2 ARG A 69 2.563 2.500 -10.367 1.00 43.11 H new ATOM 0 HD3 ARG A 69 3.290 1.692 -11.742 1.00 43.11 H new ATOM 0 HE ARG A 69 1.429 0.507 -9.771 1.00 51.02 H new ATOM 0 HH11 ARG A 69 3.847 -0.139 -12.318 1.00 62.45 H new ATOM 0 HH12 ARG A 69 3.243 -1.768 -12.641 1.00 62.45 H new ATOM 0 HH21 ARG A 69 0.671 -1.566 -10.190 1.00 20.23 H new ATOM 0 HH22 ARG A 69 1.432 -2.576 -11.424 1.00 20.23 H new ATOM 1069 N VAL A 70 7.227 4.329 -11.742 1.00 22.14 N ATOM 1070 CA VAL A 70 8.488 4.825 -12.267 1.00 10.12 C ATOM 1071 C VAL A 70 8.251 6.162 -12.972 1.00 11.23 C ATOM 1072 O VAL A 70 8.467 6.280 -14.177 1.00 24.42 O ATOM 1073 CB VAL A 70 9.125 3.774 -13.178 1.00 25.15 C ATOM 1074 CG1 VAL A 70 10.642 3.962 -13.254 1.00 30.54 C ATOM 1075 CG2 VAL A 70 8.770 2.360 -12.715 1.00 24.54 C ATOM 0 H VAL A 70 6.477 4.257 -12.430 1.00 22.14 H new ATOM 0 HA VAL A 70 9.195 5.005 -11.457 1.00 10.12 H new ATOM 0 HB VAL A 70 8.720 3.909 -14.181 1.00 25.15 H new ATOM 0 HG11 VAL A 70 11.070 3.202 -13.908 1.00 30.54 H new ATOM 0 HG12 VAL A 70 10.867 4.952 -13.652 1.00 30.54 H new ATOM 0 HG13 VAL A 70 11.071 3.866 -12.257 1.00 30.54 H new ATOM 0 HG21 VAL A 70 9.235 1.632 -13.380 1.00 24.54 H new ATOM 0 HG22 VAL A 70 9.133 2.208 -11.699 1.00 24.54 H new ATOM 0 HG23 VAL A 70 7.688 2.231 -12.736 1.00 24.54 H new ATOM 1085 N HIS A 71 7.809 7.137 -12.190 1.00 62.42 N ATOM 1086 CA HIS A 71 7.540 8.461 -12.724 1.00 64.15 C ATOM 1087 C HIS A 71 8.686 8.884 -13.646 1.00 54.45 C ATOM 1088 O HIS A 71 8.453 9.294 -14.783 1.00 65.50 O ATOM 1089 CB HIS A 71 7.288 9.461 -11.595 1.00 14.31 C ATOM 1090 CG HIS A 71 6.972 10.859 -12.072 1.00 0.03 C ATOM 1091 ND1 HIS A 71 5.797 11.514 -11.747 1.00 51.34 N ATOM 1092 CD2 HIS A 71 7.690 11.719 -12.850 1.00 61.41 C ATOM 1093 CE1 HIS A 71 5.817 12.713 -12.311 1.00 61.14 C ATOM 1094 NE2 HIS A 71 6.991 12.837 -12.995 1.00 11.42 N ATOM 0 H HIS A 71 7.631 7.036 -11.191 1.00 62.42 H new ATOM 0 HA HIS A 71 6.628 8.438 -13.321 1.00 64.15 H new ATOM 0 HB2 HIS A 71 6.461 9.101 -10.983 1.00 14.31 H new ATOM 0 HB3 HIS A 71 8.168 9.497 -10.953 1.00 14.31 H new ATOM 0 HD2 HIS A 71 8.663 11.523 -13.276 1.00 61.41 H new ATOM 0 HE1 HIS A 71 5.041 13.460 -12.241 1.00 61.14 H new ATOM 0 HE2 HIS A 71 7.283 13.655 -13.530 1.00 11.42 H new ATOM 1103 N ALA A 72 9.897 8.772 -13.122 1.00 61.33 N ATOM 1104 CA ALA A 72 11.079 9.138 -13.884 1.00 61.20 C ATOM 1105 C ALA A 72 12.288 8.375 -13.339 1.00 61.54 C ATOM 1106 O ALA A 72 12.137 7.466 -12.524 1.00 63.12 O ATOM 1107 CB ALA A 72 11.273 10.654 -13.828 1.00 4.42 C ATOM 0 H ALA A 72 10.086 8.433 -12.179 1.00 61.33 H new ATOM 0 HA ALA A 72 10.961 8.863 -14.932 1.00 61.20 H new ATOM 0 HB1 ALA A 72 12.160 10.929 -14.399 1.00 4.42 H new ATOM 0 HB2 ALA A 72 10.400 11.149 -14.253 1.00 4.42 H new ATOM 0 HB3 ALA A 72 11.398 10.967 -12.791 1.00 4.42 H new ATOM 1113 N ALA A 73 13.460 8.772 -13.812 1.00 24.20 N ATOM 1114 CA ALA A 73 14.695 8.136 -13.383 1.00 14.54 C ATOM 1115 C ALA A 73 15.854 9.122 -13.545 1.00 72.25 C ATOM 1116 O ALA A 73 15.877 9.907 -14.492 1.00 4.00 O ATOM 1117 CB ALA A 73 14.909 6.847 -14.178 1.00 40.42 C ATOM 0 H ALA A 73 13.581 9.526 -14.488 1.00 24.20 H new ATOM 0 HA ALA A 73 14.640 7.862 -12.329 1.00 14.54 H new ATOM 0 HB1 ALA A 73 15.835 6.370 -13.856 1.00 40.42 H new ATOM 0 HB2 ALA A 73 14.073 6.170 -14.005 1.00 40.42 H new ATOM 0 HB3 ALA A 73 14.972 7.081 -15.241 1.00 40.42 H new ATOM 1123 N LEU A 74 16.787 9.048 -12.608 1.00 41.20 N ATOM 1124 CA LEU A 74 17.946 9.924 -12.636 1.00 24.23 C ATOM 1125 C LEU A 74 19.114 9.196 -13.306 1.00 54.51 C ATOM 1126 O LEU A 74 19.188 7.969 -13.270 1.00 11.20 O ATOM 1127 CB LEU A 74 18.266 10.434 -11.229 1.00 50.22 C ATOM 1128 CG LEU A 74 19.440 11.409 -11.120 1.00 64.21 C ATOM 1129 CD1 LEU A 74 19.249 12.369 -9.944 1.00 72.24 C ATOM 1130 CD2 LEU A 74 20.770 10.657 -11.036 1.00 5.44 C ATOM 0 H LEU A 74 16.764 8.395 -11.825 1.00 41.20 H new ATOM 0 HA LEU A 74 17.738 10.812 -13.233 1.00 24.23 H new ATOM 0 HB2 LEU A 74 17.377 10.921 -10.830 1.00 50.22 H new ATOM 0 HB3 LEU A 74 18.473 9.575 -10.591 1.00 50.22 H new ATOM 0 HG LEU A 74 19.468 12.013 -12.027 1.00 64.21 H new ATOM 0 HD11 LEU A 74 20.098 13.051 -9.889 1.00 72.24 H new ATOM 0 HD12 LEU A 74 18.332 12.941 -10.087 1.00 72.24 H new ATOM 0 HD13 LEU A 74 19.181 11.800 -9.017 1.00 72.24 H new ATOM 0 HD21 LEU A 74 21.588 11.373 -10.959 1.00 5.44 H new ATOM 0 HD22 LEU A 74 20.768 10.012 -10.157 1.00 5.44 H new ATOM 0 HD23 LEU A 74 20.902 10.050 -11.932 1.00 5.44 H new ATOM 1142 N VAL A 75 19.996 9.985 -13.902 1.00 62.51 N ATOM 1143 CA VAL A 75 21.156 9.431 -14.580 1.00 24.14 C ATOM 1144 C VAL A 75 22.322 10.417 -14.474 1.00 74.24 C ATOM 1145 O VAL A 75 22.185 11.586 -14.833 1.00 31.52 O ATOM 1146 CB VAL A 75 20.800 9.079 -16.025 1.00 54.13 C ATOM 1147 CG1 VAL A 75 22.039 8.632 -16.803 1.00 3.24 C ATOM 1148 CG2 VAL A 75 19.706 8.010 -16.076 1.00 11.44 C ATOM 0 H VAL A 75 19.931 11.003 -13.930 1.00 62.51 H new ATOM 0 HA VAL A 75 21.470 8.503 -14.102 1.00 24.14 H new ATOM 0 HB VAL A 75 20.412 9.979 -16.502 1.00 54.13 H new ATOM 0 HG11 VAL A 75 21.757 8.388 -17.827 1.00 3.24 H new ATOM 0 HG12 VAL A 75 22.774 9.437 -16.811 1.00 3.24 H new ATOM 0 HG13 VAL A 75 22.470 7.752 -16.326 1.00 3.24 H new ATOM 0 HG21 VAL A 75 19.472 7.778 -17.115 1.00 11.44 H new ATOM 0 HG22 VAL A 75 20.055 7.108 -15.573 1.00 11.44 H new ATOM 0 HG23 VAL A 75 18.811 8.381 -15.577 1.00 11.44 H new ATOM 1158 N TYR A 76 23.442 9.909 -13.981 1.00 53.32 N ATOM 1159 CA TYR A 76 24.630 10.731 -13.824 1.00 60.43 C ATOM 1160 C TYR A 76 25.509 10.668 -15.075 1.00 22.50 C ATOM 1161 O TYR A 76 26.109 9.633 -15.365 1.00 52.41 O ATOM 1162 CB TYR A 76 25.400 10.136 -12.643 1.00 43.45 C ATOM 1163 CG TYR A 76 26.697 10.877 -12.311 1.00 23.41 C ATOM 1164 CD1 TYR A 76 26.668 11.984 -11.487 1.00 24.40 C ATOM 1165 CD2 TYR A 76 27.896 10.438 -12.835 1.00 22.43 C ATOM 1166 CE1 TYR A 76 27.889 12.680 -11.174 1.00 1.31 C ATOM 1167 CE2 TYR A 76 29.117 11.134 -12.522 1.00 10.34 C ATOM 1168 CZ TYR A 76 29.053 12.221 -11.707 1.00 1.24 C ATOM 1169 OH TYR A 76 30.206 12.879 -11.411 1.00 1.20 O ATOM 0 H TYR A 76 23.552 8.939 -13.685 1.00 53.32 H new ATOM 0 HA TYR A 76 24.358 11.774 -13.663 1.00 60.43 H new ATOM 0 HB2 TYR A 76 24.756 10.139 -11.764 1.00 43.45 H new ATOM 0 HB3 TYR A 76 25.634 9.094 -12.863 1.00 43.45 H new ATOM 0 HD1 TYR A 76 25.730 12.328 -11.077 1.00 24.40 H new ATOM 0 HD2 TYR A 76 27.918 9.572 -13.480 1.00 22.43 H new ATOM 0 HE1 TYR A 76 27.881 13.547 -10.530 1.00 1.31 H new ATOM 0 HE2 TYR A 76 30.062 10.801 -12.925 1.00 10.34 H new ATOM 0 HH TYR A 76 30.009 13.635 -10.820 1.00 1.20 H new ATOM 1179 N HIS A 77 25.558 11.787 -15.782 1.00 62.10 N ATOM 1180 CA HIS A 77 26.354 11.872 -16.995 1.00 20.13 C ATOM 1181 C HIS A 77 27.835 11.705 -16.649 1.00 62.24 C ATOM 1182 O HIS A 77 28.252 11.999 -15.530 1.00 64.42 O ATOM 1183 CB HIS A 77 26.063 13.173 -17.745 1.00 43.12 C ATOM 1184 CG HIS A 77 26.005 13.016 -19.246 1.00 54.40 C ATOM 1185 ND1 HIS A 77 27.136 12.868 -20.029 1.00 70.41 N ATOM 1186 CD2 HIS A 77 24.940 12.986 -20.098 1.00 12.10 C ATOM 1187 CE1 HIS A 77 26.757 12.755 -21.294 1.00 25.43 C ATOM 1188 NE2 HIS A 77 25.396 12.829 -21.334 1.00 61.24 N ATOM 0 H HIS A 77 25.059 12.643 -15.538 1.00 62.10 H new ATOM 0 HA HIS A 77 26.081 11.062 -17.672 1.00 20.13 H new ATOM 0 HB2 HIS A 77 25.113 13.578 -17.395 1.00 43.12 H new ATOM 0 HB3 HIS A 77 26.832 13.904 -17.496 1.00 43.12 H new ATOM 0 HD2 HIS A 77 23.902 13.075 -19.814 1.00 12.10 H new ATOM 0 HE1 HIS A 77 27.411 12.627 -22.144 1.00 25.43 H new ATOM 0 HE2 HIS A 77 24.823 12.773 -22.176 1.00 61.24 H new ATOM 1196 N LYS A 78 28.589 11.233 -17.631 1.00 42.55 N ATOM 1197 CA LYS A 78 30.015 11.024 -17.446 1.00 30.33 C ATOM 1198 C LYS A 78 30.790 12.003 -18.330 1.00 74.32 C ATOM 1199 O LYS A 78 31.775 12.594 -17.892 1.00 43.13 O ATOM 1200 CB LYS A 78 30.377 9.557 -17.688 1.00 51.04 C ATOM 1201 CG LYS A 78 30.338 9.223 -19.181 1.00 22.50 C ATOM 1202 CD LYS A 78 30.172 7.718 -19.401 1.00 74.35 C ATOM 1203 CE LYS A 78 31.417 6.955 -18.944 1.00 13.42 C ATOM 1204 NZ LYS A 78 31.051 5.602 -18.469 1.00 15.30 N ATOM 0 H LYS A 78 28.239 10.989 -18.558 1.00 42.55 H new ATOM 0 HA LYS A 78 30.300 11.233 -16.415 1.00 30.33 H new ATOM 0 HB2 LYS A 78 31.372 9.354 -17.292 1.00 51.04 H new ATOM 0 HB3 LYS A 78 29.682 8.913 -17.149 1.00 51.04 H new ATOM 0 HG2 LYS A 78 29.514 9.757 -19.655 1.00 22.50 H new ATOM 0 HG3 LYS A 78 31.256 9.565 -19.658 1.00 22.50 H new ATOM 0 HD2 LYS A 78 29.301 7.361 -18.852 1.00 74.35 H new ATOM 0 HD3 LYS A 78 29.987 7.520 -20.457 1.00 74.35 H new ATOM 0 HE2 LYS A 78 32.126 6.878 -19.768 1.00 13.42 H new ATOM 0 HE3 LYS A 78 31.915 7.505 -18.145 1.00 13.42 H new ATOM 0 HZ1 LYS A 78 31.548 5.401 -17.578 1.00 15.30 H new ATOM 0 HZ2 LYS A 78 30.024 5.556 -18.311 1.00 15.30 H new ATOM 0 HZ3 LYS A 78 31.323 4.898 -19.184 1.00 15.30 H new ATOM 1217 N HIS A 79 30.314 12.144 -19.559 1.00 25.41 N ATOM 1218 CA HIS A 79 30.950 13.041 -20.509 1.00 22.12 C ATOM 1219 C HIS A 79 30.669 14.491 -20.112 1.00 55.52 C ATOM 1220 O HIS A 79 31.287 15.414 -20.640 1.00 2.53 O ATOM 1221 CB HIS A 79 30.508 12.720 -21.938 1.00 42.51 C ATOM 1222 CG HIS A 79 30.343 11.245 -22.214 1.00 34.15 C ATOM 1223 ND1 HIS A 79 31.386 10.440 -22.637 1.00 34.42 N ATOM 1224 CD2 HIS A 79 29.247 10.438 -22.121 1.00 15.52 C ATOM 1225 CE1 HIS A 79 30.926 9.206 -22.790 1.00 3.43 C ATOM 1226 NE2 HIS A 79 29.600 9.208 -22.470 1.00 23.21 N ATOM 0 H HIS A 79 29.496 11.652 -19.918 1.00 25.41 H new ATOM 0 HA HIS A 79 32.030 12.897 -20.484 1.00 22.12 H new ATOM 0 HB2 HIS A 79 29.562 13.224 -22.137 1.00 42.51 H new ATOM 0 HB3 HIS A 79 31.240 13.130 -22.634 1.00 42.51 H new ATOM 0 HD1 HIS A 79 32.345 10.744 -22.803 1.00 34.42 H new ATOM 0 HD2 HIS A 79 28.259 10.748 -21.815 1.00 15.52 H new ATOM 0 HE1 HIS A 79 31.500 8.350 -23.111 1.00 3.43 H new ATOM 1234 N LEU A 80 29.734 14.647 -19.186 1.00 2.12 N ATOM 1235 CA LEU A 80 29.363 15.970 -18.712 1.00 72.32 C ATOM 1236 C LEU A 80 29.717 16.094 -17.229 1.00 63.40 C ATOM 1237 O LEU A 80 30.050 17.179 -16.755 1.00 61.13 O ATOM 1238 CB LEU A 80 27.891 16.255 -19.019 1.00 22.13 C ATOM 1239 CG LEU A 80 27.468 16.097 -20.480 1.00 73.35 C ATOM 1240 CD1 LEU A 80 25.972 16.372 -20.651 1.00 24.12 C ATOM 1241 CD2 LEU A 80 28.320 16.977 -21.397 1.00 24.33 C ATOM 0 H LEU A 80 29.222 13.879 -18.751 1.00 2.12 H new ATOM 0 HA LEU A 80 29.930 16.737 -19.240 1.00 72.32 H new ATOM 0 HB2 LEU A 80 27.278 15.590 -18.410 1.00 22.13 H new ATOM 0 HB3 LEU A 80 27.665 17.274 -18.704 1.00 22.13 H new ATOM 0 HG LEU A 80 27.642 15.062 -20.775 1.00 73.35 H new ATOM 0 HD11 LEU A 80 25.698 16.253 -21.699 1.00 24.12 H new ATOM 0 HD12 LEU A 80 25.401 15.669 -20.044 1.00 24.12 H new ATOM 0 HD13 LEU A 80 25.750 17.390 -20.332 1.00 24.12 H new ATOM 0 HD21 LEU A 80 27.998 16.845 -22.430 1.00 24.33 H new ATOM 0 HD22 LEU A 80 28.202 18.022 -21.111 1.00 24.33 H new ATOM 0 HD23 LEU A 80 29.368 16.692 -21.304 1.00 24.33 H new ATOM 1253 N LYS A 81 29.634 14.967 -16.537 1.00 71.33 N ATOM 1254 CA LYS A 81 29.942 14.935 -15.118 1.00 12.44 C ATOM 1255 C LYS A 81 28.805 15.600 -14.339 1.00 12.11 C ATOM 1256 O LYS A 81 29.041 16.247 -13.320 1.00 11.12 O ATOM 1257 CB LYS A 81 31.314 15.558 -14.853 1.00 62.22 C ATOM 1258 CG LYS A 81 32.361 15.012 -15.827 1.00 55.21 C ATOM 1259 CD LYS A 81 32.707 13.558 -15.501 1.00 61.15 C ATOM 1260 CE LYS A 81 33.556 13.468 -14.232 1.00 30.32 C ATOM 1261 NZ LYS A 81 34.997 13.508 -14.568 1.00 12.42 N ATOM 0 H LYS A 81 29.358 14.069 -16.933 1.00 71.33 H new ATOM 0 HA LYS A 81 30.011 13.906 -14.767 1.00 12.44 H new ATOM 0 HB2 LYS A 81 31.251 16.642 -14.951 1.00 62.22 H new ATOM 0 HB3 LYS A 81 31.621 15.348 -13.828 1.00 62.22 H new ATOM 0 HG2 LYS A 81 31.984 15.080 -16.847 1.00 55.21 H new ATOM 0 HG3 LYS A 81 33.262 15.624 -15.779 1.00 55.21 H new ATOM 0 HD2 LYS A 81 31.790 12.983 -15.371 1.00 61.15 H new ATOM 0 HD3 LYS A 81 33.247 13.113 -16.337 1.00 61.15 H new ATOM 0 HE2 LYS A 81 33.310 14.293 -13.563 1.00 30.32 H new ATOM 0 HE3 LYS A 81 33.326 12.546 -13.699 1.00 30.32 H new ATOM 0 HZ1 LYS A 81 35.559 13.446 -13.695 1.00 12.42 H new ATOM 0 HZ2 LYS A 81 35.231 12.707 -15.188 1.00 12.42 H new ATOM 0 HZ3 LYS A 81 35.215 14.400 -15.057 1.00 12.42 H new ATOM 1274 N ARG A 82 27.596 15.417 -14.849 1.00 15.54 N ATOM 1275 CA ARG A 82 26.421 15.991 -14.214 1.00 3.34 C ATOM 1276 C ARG A 82 25.342 14.923 -14.029 1.00 70.31 C ATOM 1277 O ARG A 82 25.612 13.731 -14.171 1.00 44.25 O ATOM 1278 CB ARG A 82 25.852 17.142 -15.046 1.00 5.55 C ATOM 1279 CG ARG A 82 26.799 17.513 -16.189 1.00 25.12 C ATOM 1280 CD ARG A 82 26.122 18.466 -17.175 1.00 74.24 C ATOM 1281 NE ARG A 82 27.051 19.556 -17.546 1.00 1.33 N ATOM 1282 CZ ARG A 82 27.389 20.574 -16.725 1.00 61.24 C ATOM 1283 NH1 ARG A 82 26.876 20.649 -15.479 1.00 74.21 N ATOM 1284 NH2 ARG A 82 28.229 21.494 -17.160 1.00 42.53 N ATOM 0 H ARG A 82 27.404 14.880 -15.694 1.00 15.54 H new ATOM 0 HA ARG A 82 26.726 16.377 -13.241 1.00 3.34 H new ATOM 0 HB2 ARG A 82 24.881 16.857 -15.451 1.00 5.55 H new ATOM 0 HB3 ARG A 82 25.689 18.011 -14.408 1.00 5.55 H new ATOM 0 HG2 ARG A 82 27.697 17.980 -15.785 1.00 25.12 H new ATOM 0 HG3 ARG A 82 27.117 16.610 -16.710 1.00 25.12 H new ATOM 0 HD2 ARG A 82 25.814 17.921 -18.067 1.00 74.24 H new ATOM 0 HD3 ARG A 82 25.219 18.883 -16.729 1.00 74.24 H new ATOM 0 HE ARG A 82 27.462 19.538 -18.479 1.00 1.33 H new ATOM 0 HH11 ARG A 82 26.228 19.933 -15.151 1.00 74.21 H new ATOM 0 HH12 ARG A 82 27.137 21.421 -14.866 1.00 74.21 H new ATOM 0 HH21 ARG A 82 28.612 21.430 -18.103 1.00 42.53 H new ATOM 0 HH22 ARG A 82 28.495 22.270 -16.553 1.00 42.53 H new ATOM 1297 N VAL A 83 24.142 15.387 -13.715 1.00 13.41 N ATOM 1298 CA VAL A 83 23.020 14.486 -13.509 1.00 45.34 C ATOM 1299 C VAL A 83 21.938 14.780 -14.550 1.00 43.04 C ATOM 1300 O VAL A 83 21.974 15.816 -15.212 1.00 55.22 O ATOM 1301 CB VAL A 83 22.513 14.602 -12.071 1.00 21.14 C ATOM 1302 CG1 VAL A 83 21.371 13.617 -11.811 1.00 42.22 C ATOM 1303 CG2 VAL A 83 23.652 14.397 -11.070 1.00 11.34 C ATOM 0 H VAL A 83 23.921 16.376 -13.598 1.00 13.41 H new ATOM 0 HA VAL A 83 23.331 13.451 -13.647 1.00 45.34 H new ATOM 0 HB VAL A 83 22.123 15.611 -11.934 1.00 21.14 H new ATOM 0 HG11 VAL A 83 21.029 13.720 -10.781 1.00 42.22 H new ATOM 0 HG12 VAL A 83 20.546 13.829 -12.491 1.00 42.22 H new ATOM 0 HG13 VAL A 83 21.724 12.599 -11.976 1.00 42.22 H new ATOM 0 HG21 VAL A 83 23.265 14.485 -10.055 1.00 11.34 H new ATOM 0 HG22 VAL A 83 24.085 13.406 -11.209 1.00 11.34 H new ATOM 0 HG23 VAL A 83 24.419 15.154 -11.232 1.00 11.34 H new ATOM 1313 N PHE A 84 21.002 13.849 -14.663 1.00 1.33 N ATOM 1314 CA PHE A 84 19.912 13.995 -15.612 1.00 13.31 C ATOM 1315 C PHE A 84 18.623 13.378 -15.066 1.00 33.15 C ATOM 1316 O PHE A 84 18.668 12.455 -14.254 1.00 31.03 O ATOM 1317 CB PHE A 84 20.322 13.249 -16.883 1.00 31.23 C ATOM 1318 CG PHE A 84 21.137 14.093 -17.864 1.00 62.15 C ATOM 1319 CD1 PHE A 84 22.485 14.198 -17.715 1.00 12.12 C ATOM 1320 CD2 PHE A 84 20.514 14.738 -18.887 1.00 1.11 C ATOM 1321 CE1 PHE A 84 23.241 14.981 -18.626 1.00 44.40 C ATOM 1322 CE2 PHE A 84 21.271 15.521 -19.798 1.00 53.40 C ATOM 1323 CZ PHE A 84 22.618 15.627 -19.648 1.00 64.45 C ATOM 0 H PHE A 84 20.976 12.991 -14.113 1.00 1.33 H new ATOM 0 HA PHE A 84 19.725 15.052 -15.803 1.00 13.31 H new ATOM 0 HB2 PHE A 84 20.904 12.371 -16.605 1.00 31.23 H new ATOM 0 HB3 PHE A 84 19.425 12.890 -17.387 1.00 31.23 H new ATOM 0 HD1 PHE A 84 22.980 13.686 -16.903 1.00 12.12 H new ATOM 0 HD2 PHE A 84 19.444 14.655 -19.006 1.00 1.11 H new ATOM 0 HE1 PHE A 84 24.311 15.064 -18.508 1.00 44.40 H new ATOM 0 HE2 PHE A 84 20.776 16.033 -20.610 1.00 53.40 H new ATOM 0 HZ PHE A 84 23.193 16.224 -20.340 1.00 64.45 H new ATOM 1333 N LEU A 85 17.504 13.912 -15.533 1.00 0.32 N ATOM 1334 CA LEU A 85 16.205 13.425 -15.101 1.00 52.32 C ATOM 1335 C LEU A 85 15.376 13.040 -16.328 1.00 50.23 C ATOM 1336 O LEU A 85 14.920 13.908 -17.071 1.00 44.14 O ATOM 1337 CB LEU A 85 15.522 14.452 -14.195 1.00 72.22 C ATOM 1338 CG LEU A 85 14.104 14.104 -13.737 1.00 22.31 C ATOM 1339 CD1 LEU A 85 13.926 12.590 -13.608 1.00 73.35 C ATOM 1340 CD2 LEU A 85 13.752 14.834 -12.439 1.00 45.44 C ATOM 0 H LEU A 85 17.470 14.677 -16.206 1.00 0.32 H new ATOM 0 HA LEU A 85 16.317 12.525 -14.496 1.00 52.32 H new ATOM 0 HB2 LEU A 85 16.143 14.597 -13.311 1.00 72.22 H new ATOM 0 HB3 LEU A 85 15.489 15.406 -14.721 1.00 72.22 H new ATOM 0 HG LEU A 85 13.405 14.447 -14.500 1.00 22.31 H new ATOM 0 HD11 LEU A 85 12.910 12.370 -13.281 1.00 73.35 H new ATOM 0 HD12 LEU A 85 14.107 12.119 -14.574 1.00 73.35 H new ATOM 0 HD13 LEU A 85 14.635 12.201 -12.877 1.00 73.35 H new ATOM 0 HD21 LEU A 85 12.739 14.569 -12.136 1.00 45.44 H new ATOM 0 HD22 LEU A 85 14.453 14.543 -11.656 1.00 45.44 H new ATOM 0 HD23 LEU A 85 13.813 15.910 -12.599 1.00 45.44 H new ATOM 1352 N ILE A 86 15.206 11.738 -16.503 1.00 33.13 N ATOM 1353 CA ILE A 86 14.440 11.227 -17.627 1.00 13.31 C ATOM 1354 C ILE A 86 12.986 11.023 -17.197 1.00 14.01 C ATOM 1355 O ILE A 86 12.685 10.115 -16.424 1.00 72.52 O ATOM 1356 CB ILE A 86 15.096 9.967 -18.194 1.00 61.01 C ATOM 1357 CG1 ILE A 86 16.566 9.880 -17.779 1.00 21.03 C ATOM 1358 CG2 ILE A 86 14.924 9.896 -19.713 1.00 24.52 C ATOM 1359 CD1 ILE A 86 17.347 8.958 -18.717 1.00 23.22 C ATOM 0 H ILE A 86 15.586 11.021 -15.885 1.00 33.13 H new ATOM 0 HA ILE A 86 14.433 11.949 -18.443 1.00 13.31 H new ATOM 0 HB ILE A 86 14.590 9.099 -17.771 1.00 61.01 H new ATOM 0 HG12 ILE A 86 17.010 10.875 -17.789 1.00 21.03 H new ATOM 0 HG13 ILE A 86 16.638 9.509 -16.756 1.00 21.03 H new ATOM 0 HG21 ILE A 86 15.399 8.991 -20.091 1.00 24.52 H new ATOM 0 HG22 ILE A 86 13.862 9.878 -19.958 1.00 24.52 H new ATOM 0 HG23 ILE A 86 15.388 10.769 -20.173 1.00 24.52 H new ATOM 0 HD11 ILE A 86 18.389 8.914 -18.400 1.00 23.22 H new ATOM 0 HD12 ILE A 86 16.916 7.957 -18.686 1.00 23.22 H new ATOM 0 HD13 ILE A 86 17.294 9.345 -19.735 1.00 23.22 H new ATOM 1371 N ASP A 87 12.122 11.883 -17.716 1.00 41.23 N ATOM 1372 CA ASP A 87 10.707 11.809 -17.396 1.00 32.41 C ATOM 1373 C ASP A 87 10.106 10.562 -18.048 1.00 33.21 C ATOM 1374 O ASP A 87 9.341 10.665 -19.006 1.00 1.32 O ATOM 1375 CB ASP A 87 9.956 13.030 -17.930 1.00 1.00 C ATOM 1376 CG ASP A 87 10.752 14.337 -17.913 1.00 61.55 C ATOM 1377 OD1 ASP A 87 11.926 14.364 -17.514 1.00 54.41 O ATOM 1378 OD2 ASP A 87 10.110 15.371 -18.339 1.00 42.43 O ATOM 0 H ASP A 87 12.375 12.635 -18.357 1.00 41.23 H new ATOM 0 HA ASP A 87 10.608 11.772 -16.311 1.00 32.41 H new ATOM 0 HB2 ASP A 87 9.643 12.826 -18.954 1.00 1.00 H new ATOM 0 HB3 ASP A 87 9.049 13.167 -17.341 1.00 1.00 H new ATOM 1384 N LEU A 88 10.474 9.412 -17.503 1.00 22.04 N ATOM 1385 CA LEU A 88 9.981 8.147 -18.019 1.00 71.43 C ATOM 1386 C LEU A 88 8.464 8.230 -18.198 1.00 13.30 C ATOM 1387 O LEU A 88 7.708 7.863 -17.300 1.00 0.24 O ATOM 1388 CB LEU A 88 10.432 6.990 -17.125 1.00 12.34 C ATOM 1389 CG LEU A 88 11.921 6.955 -16.773 1.00 15.52 C ATOM 1390 CD1 LEU A 88 12.297 5.628 -16.112 1.00 72.01 C ATOM 1391 CD2 LEU A 88 12.782 7.248 -18.003 1.00 74.33 C ATOM 0 H LEU A 88 11.108 9.330 -16.709 1.00 22.04 H new ATOM 0 HA LEU A 88 10.408 7.945 -19.001 1.00 71.43 H new ATOM 0 HB2 LEU A 88 9.861 7.030 -16.198 1.00 12.34 H new ATOM 0 HB3 LEU A 88 10.174 6.053 -17.619 1.00 12.34 H new ATOM 0 HG LEU A 88 12.119 7.743 -16.047 1.00 15.52 H new ATOM 0 HD11 LEU A 88 13.360 5.629 -15.872 1.00 72.01 H new ATOM 0 HD12 LEU A 88 11.719 5.501 -15.197 1.00 72.01 H new ATOM 0 HD13 LEU A 88 12.080 4.807 -16.795 1.00 72.01 H new ATOM 0 HD21 LEU A 88 13.836 7.217 -17.725 1.00 74.33 H new ATOM 0 HD22 LEU A 88 12.587 6.499 -18.771 1.00 74.33 H new ATOM 0 HD23 LEU A 88 12.538 8.237 -18.391 1.00 74.33 H new ATOM 1403 N ASN A 89 8.063 8.716 -19.364 1.00 22.40 N ATOM 1404 CA ASN A 89 6.650 8.852 -19.672 1.00 52.20 C ATOM 1405 C ASN A 89 5.895 9.273 -18.409 1.00 44.13 C ATOM 1406 O ASN A 89 4.859 8.698 -18.081 1.00 13.44 O ATOM 1407 CB ASN A 89 6.061 7.525 -20.155 1.00 15.44 C ATOM 1408 CG ASN A 89 6.852 6.340 -19.599 1.00 71.32 C ATOM 1409 OD1 ASN A 89 6.380 5.579 -18.770 1.00 61.45 O ATOM 1410 ND2 ASN A 89 8.079 6.226 -20.100 1.00 74.32 N ATOM 0 H ASN A 89 8.693 9.020 -20.107 1.00 22.40 H new ATOM 0 HA ASN A 89 6.547 9.600 -20.459 1.00 52.20 H new ATOM 0 HB2 ASN A 89 5.019 7.450 -19.843 1.00 15.44 H new ATOM 0 HB3 ASN A 89 6.070 7.494 -21.245 1.00 15.44 H new ATOM 0 HD21 ASN A 89 8.687 5.467 -19.793 1.00 74.32 H new ATOM 0 HD22 ASN A 89 8.412 6.898 -20.792 1.00 74.32 H new ATOM 1417 N SER A 90 6.445 10.273 -17.736 1.00 21.24 N ATOM 1418 CA SER A 90 5.837 10.777 -16.516 1.00 40.32 C ATOM 1419 C SER A 90 4.345 11.032 -16.742 1.00 23.02 C ATOM 1420 O SER A 90 3.959 11.634 -17.743 1.00 20.53 O ATOM 1421 CB SER A 90 6.529 12.058 -16.045 1.00 13.01 C ATOM 1422 OG SER A 90 5.634 12.923 -15.350 1.00 44.23 O ATOM 0 H SER A 90 7.305 10.748 -18.012 1.00 21.24 H new ATOM 0 HA SER A 90 5.957 10.024 -15.737 1.00 40.32 H new ATOM 0 HB2 SER A 90 7.364 11.801 -15.393 1.00 13.01 H new ATOM 0 HB3 SER A 90 6.946 12.582 -16.905 1.00 13.01 H new ATOM 0 HG SER A 90 6.103 13.344 -14.600 1.00 44.23 H new ATOM 1428 N THR A 91 3.547 10.561 -15.795 1.00 5.24 N ATOM 1429 CA THR A 91 2.107 10.730 -15.877 1.00 53.34 C ATOM 1430 C THR A 91 1.763 12.102 -16.461 1.00 44.04 C ATOM 1431 O THR A 91 0.866 12.219 -17.294 1.00 41.25 O ATOM 1432 CB THR A 91 1.523 10.500 -14.482 1.00 52.50 C ATOM 1433 OG1 THR A 91 0.359 11.322 -14.453 1.00 50.20 O ATOM 1434 CG2 THR A 91 2.410 11.072 -13.374 1.00 42.24 C ATOM 0 H THR A 91 3.871 10.062 -14.967 1.00 5.24 H new ATOM 0 HA THR A 91 1.662 10.002 -16.555 1.00 53.34 H new ATOM 0 HB THR A 91 1.383 9.431 -14.319 1.00 52.50 H new ATOM 0 HG1 THR A 91 -0.083 11.233 -13.583 1.00 50.20 H new ATOM 0 HG21 THR A 91 1.949 10.882 -12.405 1.00 42.24 H new ATOM 0 HG22 THR A 91 3.390 10.596 -13.410 1.00 42.24 H new ATOM 0 HG23 THR A 91 2.523 12.147 -13.517 1.00 42.24 H new ATOM 1442 N HIS A 92 2.496 13.106 -16.001 1.00 72.42 N ATOM 1443 CA HIS A 92 2.280 14.465 -16.468 1.00 22.25 C ATOM 1444 C HIS A 92 3.530 14.961 -17.198 1.00 11.25 C ATOM 1445 O HIS A 92 3.486 15.235 -18.396 1.00 32.31 O ATOM 1446 CB HIS A 92 1.868 15.377 -15.311 1.00 13.04 C ATOM 1447 CG HIS A 92 1.162 14.660 -14.185 1.00 20.35 C ATOM 1448 ND1 HIS A 92 -0.217 14.585 -14.091 1.00 23.20 N ATOM 1449 CD2 HIS A 92 1.658 13.986 -13.107 1.00 63.04 C ATOM 1450 CE1 HIS A 92 -0.525 13.896 -13.002 1.00 72.33 C ATOM 1451 NE2 HIS A 92 0.638 13.526 -12.394 1.00 22.12 N ATOM 0 H HIS A 92 3.240 13.005 -15.310 1.00 72.42 H new ATOM 0 HA HIS A 92 1.455 14.483 -17.180 1.00 22.25 H new ATOM 0 HB2 HIS A 92 2.757 15.868 -14.915 1.00 13.04 H new ATOM 0 HB3 HIS A 92 1.215 16.161 -15.695 1.00 13.04 H new ATOM 0 HD1 HIS A 92 -0.883 14.991 -14.748 1.00 23.20 H new ATOM 0 HD2 HIS A 92 2.704 13.850 -12.874 1.00 63.04 H new ATOM 0 HE1 HIS A 92 -1.522 13.668 -12.656 1.00 72.33 H new ATOM 1459 N GLY A 93 4.615 15.063 -16.444 1.00 60.51 N ATOM 1460 CA GLY A 93 5.875 15.521 -17.004 1.00 51.23 C ATOM 1461 C GLY A 93 6.822 16.002 -15.903 1.00 52.40 C ATOM 1462 O GLY A 93 6.404 16.199 -14.763 1.00 4.41 O ATOM 0 H GLY A 93 4.647 14.836 -15.450 1.00 60.51 H new ATOM 0 HA2 GLY A 93 6.344 14.712 -17.564 1.00 51.23 H new ATOM 0 HA3 GLY A 93 5.690 16.331 -17.709 1.00 51.23 H new ATOM 1466 N THR A 94 8.079 16.178 -16.283 1.00 31.23 N ATOM 1467 CA THR A 94 9.088 16.632 -15.342 1.00 5.25 C ATOM 1468 C THR A 94 9.613 18.011 -15.747 1.00 1.13 C ATOM 1469 O THR A 94 9.563 18.378 -16.920 1.00 0.24 O ATOM 1470 CB THR A 94 10.181 15.564 -15.268 1.00 22.11 C ATOM 1471 OG1 THR A 94 9.470 14.333 -15.358 1.00 35.43 O ATOM 1472 CG2 THR A 94 10.853 15.507 -13.894 1.00 73.23 C ATOM 0 H THR A 94 8.421 16.014 -17.230 1.00 31.23 H new ATOM 0 HA THR A 94 8.669 16.758 -14.344 1.00 5.25 H new ATOM 0 HB THR A 94 10.933 15.762 -16.032 1.00 22.11 H new ATOM 0 HG1 THR A 94 10.077 13.589 -15.161 1.00 35.43 H new ATOM 0 HG21 THR A 94 11.620 14.733 -13.896 1.00 73.23 H new ATOM 0 HG22 THR A 94 11.311 16.471 -13.673 1.00 73.23 H new ATOM 0 HG23 THR A 94 10.107 15.276 -13.133 1.00 73.23 H new ATOM 1480 N PHE A 95 10.104 18.737 -14.753 1.00 43.24 N ATOM 1481 CA PHE A 95 10.638 20.068 -14.992 1.00 33.34 C ATOM 1482 C PHE A 95 11.917 20.298 -14.185 1.00 63.10 C ATOM 1483 O PHE A 95 12.176 19.594 -13.210 1.00 14.54 O ATOM 1484 CB PHE A 95 9.573 21.065 -14.532 1.00 12.40 C ATOM 1485 CG PHE A 95 8.556 21.433 -15.614 1.00 72.25 C ATOM 1486 CD1 PHE A 95 7.694 20.492 -16.085 1.00 73.01 C ATOM 1487 CD2 PHE A 95 8.514 22.700 -16.106 1.00 50.12 C ATOM 1488 CE1 PHE A 95 6.750 20.833 -17.090 1.00 20.13 C ATOM 1489 CE2 PHE A 95 7.570 23.041 -17.111 1.00 2.01 C ATOM 1490 CZ PHE A 95 6.708 22.100 -17.581 1.00 41.25 C ATOM 0 H PHE A 95 10.143 18.429 -13.781 1.00 43.24 H new ATOM 0 HA PHE A 95 10.880 20.189 -16.048 1.00 33.34 H new ATOM 0 HB2 PHE A 95 9.043 20.646 -13.677 1.00 12.40 H new ATOM 0 HB3 PHE A 95 10.066 21.974 -14.187 1.00 12.40 H new ATOM 0 HD1 PHE A 95 7.727 19.486 -15.695 1.00 73.01 H new ATOM 0 HD2 PHE A 95 9.199 23.447 -15.733 1.00 50.12 H new ATOM 0 HE1 PHE A 95 6.066 20.086 -17.464 1.00 20.13 H new ATOM 0 HE2 PHE A 95 7.537 24.047 -17.502 1.00 2.01 H new ATOM 0 HZ PHE A 95 5.990 22.359 -18.345 1.00 41.25 H new ATOM 1500 N LEU A 96 12.685 21.286 -14.622 1.00 74.31 N ATOM 1501 CA LEU A 96 13.931 21.617 -13.953 1.00 10.51 C ATOM 1502 C LEU A 96 13.826 23.022 -13.356 1.00 42.43 C ATOM 1503 O LEU A 96 14.640 23.893 -13.662 1.00 75.03 O ATOM 1504 CB LEU A 96 15.114 21.441 -14.906 1.00 65.04 C ATOM 1505 CG LEU A 96 16.491 21.798 -14.341 1.00 14.22 C ATOM 1506 CD1 LEU A 96 16.684 21.195 -12.948 1.00 63.12 C ATOM 1507 CD2 LEU A 96 17.604 21.384 -15.305 1.00 20.01 C ATOM 0 H LEU A 96 12.468 21.868 -15.431 1.00 74.31 H new ATOM 0 HA LEU A 96 14.113 20.931 -13.126 1.00 10.51 H new ATOM 0 HB2 LEU A 96 15.137 20.403 -15.236 1.00 65.04 H new ATOM 0 HB3 LEU A 96 14.937 22.053 -15.790 1.00 65.04 H new ATOM 0 HG LEU A 96 16.546 22.881 -14.234 1.00 14.22 H new ATOM 0 HD11 LEU A 96 17.670 21.463 -12.569 1.00 63.12 H new ATOM 0 HD12 LEU A 96 15.919 21.582 -12.275 1.00 63.12 H new ATOM 0 HD13 LEU A 96 16.601 20.110 -13.007 1.00 63.12 H new ATOM 0 HD21 LEU A 96 18.572 21.649 -14.879 1.00 20.01 H new ATOM 0 HD22 LEU A 96 17.562 20.307 -15.468 1.00 20.01 H new ATOM 0 HD23 LEU A 96 17.472 21.900 -16.256 1.00 20.01 H new ATOM 1519 N GLY A 97 12.818 23.200 -12.515 1.00 71.23 N ATOM 1520 CA GLY A 97 12.596 24.484 -11.873 1.00 2.20 C ATOM 1521 C GLY A 97 11.664 25.362 -12.710 1.00 53.21 C ATOM 1522 O GLY A 97 10.570 25.711 -12.268 1.00 23.14 O ATOM 0 H GLY A 97 12.145 22.476 -12.263 1.00 71.23 H new ATOM 0 HA2 GLY A 97 12.165 24.330 -10.884 1.00 2.20 H new ATOM 0 HA3 GLY A 97 13.549 24.993 -11.730 1.00 2.20 H new ATOM 1526 N HIS A 98 12.130 25.694 -13.905 1.00 3.42 N ATOM 1527 CA HIS A 98 11.352 26.525 -14.808 1.00 11.12 C ATOM 1528 C HIS A 98 11.432 25.956 -16.226 1.00 11.22 C ATOM 1529 O HIS A 98 11.027 26.611 -17.185 1.00 70.11 O ATOM 1530 CB HIS A 98 11.803 27.985 -14.728 1.00 62.22 C ATOM 1531 CG HIS A 98 12.873 28.352 -15.728 1.00 43.14 C ATOM 1532 ND1 HIS A 98 14.220 28.372 -15.412 1.00 25.51 N ATOM 1533 CD2 HIS A 98 12.781 28.713 -17.041 1.00 32.53 C ATOM 1534 CE1 HIS A 98 14.899 28.730 -16.492 1.00 72.21 C ATOM 1535 NE2 HIS A 98 14.005 28.941 -17.500 1.00 53.33 N ATOM 0 H HIS A 98 13.037 25.402 -14.269 1.00 3.42 H new ATOM 0 HA HIS A 98 10.304 26.513 -14.508 1.00 11.12 H new ATOM 0 HB2 HIS A 98 10.939 28.631 -14.883 1.00 62.22 H new ATOM 0 HB3 HIS A 98 12.175 28.185 -13.723 1.00 62.22 H new ATOM 0 HD2 HIS A 98 11.867 28.799 -17.610 1.00 32.53 H new ATOM 0 HE1 HIS A 98 15.972 28.836 -16.562 1.00 72.21 H new ATOM 0 HE2 HIS A 98 14.239 29.227 -18.451 1.00 53.33 H new ATOM 1543 N ILE A 99 11.957 24.743 -16.313 1.00 60.14 N ATOM 1544 CA ILE A 99 12.095 24.078 -17.598 1.00 44.21 C ATOM 1545 C ILE A 99 11.293 22.776 -17.582 1.00 61.44 C ATOM 1546 O ILE A 99 10.971 22.253 -16.516 1.00 43.33 O ATOM 1547 CB ILE A 99 13.573 23.886 -17.946 1.00 10.34 C ATOM 1548 CG1 ILE A 99 14.362 25.177 -17.716 1.00 62.15 C ATOM 1549 CG2 ILE A 99 13.737 23.360 -19.373 1.00 14.10 C ATOM 1550 CD1 ILE A 99 15.868 24.905 -17.707 1.00 72.45 C ATOM 0 H ILE A 99 12.292 24.203 -15.515 1.00 60.14 H new ATOM 0 HA ILE A 99 11.682 24.698 -18.394 1.00 44.21 H new ATOM 0 HB ILE A 99 13.987 23.132 -17.276 1.00 10.34 H new ATOM 0 HG12 ILE A 99 14.124 25.897 -18.498 1.00 62.15 H new ATOM 0 HG13 ILE A 99 14.064 25.626 -16.768 1.00 62.15 H new ATOM 0 HG21 ILE A 99 14.797 23.233 -19.594 1.00 14.10 H new ATOM 0 HG22 ILE A 99 13.229 22.400 -19.468 1.00 14.10 H new ATOM 0 HG23 ILE A 99 13.303 24.072 -20.075 1.00 14.10 H new ATOM 0 HD11 ILE A 99 16.405 25.839 -17.542 1.00 72.45 H new ATOM 0 HD12 ILE A 99 16.106 24.203 -16.908 1.00 72.45 H new ATOM 0 HD13 ILE A 99 16.167 24.479 -18.665 1.00 72.45 H new ATOM 1562 N ARG A 100 10.993 22.288 -18.777 1.00 41.44 N ATOM 1563 CA ARG A 100 10.234 21.057 -18.915 1.00 25.34 C ATOM 1564 C ARG A 100 11.021 20.038 -19.743 1.00 12.34 C ATOM 1565 O ARG A 100 11.754 20.410 -20.658 1.00 11.44 O ATOM 1566 CB ARG A 100 8.883 21.314 -19.584 1.00 62.24 C ATOM 1567 CG ARG A 100 9.039 21.447 -21.101 1.00 23.33 C ATOM 1568 CD ARG A 100 8.781 20.109 -21.798 1.00 11.42 C ATOM 1569 NE ARG A 100 7.461 19.575 -21.395 1.00 12.42 N ATOM 1570 CZ ARG A 100 6.303 19.863 -22.027 1.00 21.11 C ATOM 1571 NH1 ARG A 100 6.293 20.683 -23.099 1.00 1.41 N ATOM 1572 NH2 ARG A 100 5.181 19.330 -21.581 1.00 31.21 N ATOM 0 H ARG A 100 11.262 22.724 -19.659 1.00 41.44 H new ATOM 0 HA ARG A 100 10.061 20.661 -17.914 1.00 25.34 H new ATOM 0 HB2 ARG A 100 8.199 20.497 -19.355 1.00 62.24 H new ATOM 0 HB3 ARG A 100 8.440 22.224 -19.179 1.00 62.24 H new ATOM 0 HG2 ARG A 100 8.344 22.197 -21.477 1.00 23.33 H new ATOM 0 HG3 ARG A 100 10.044 21.797 -21.338 1.00 23.33 H new ATOM 0 HD2 ARG A 100 8.815 20.240 -22.880 1.00 11.42 H new ATOM 0 HD3 ARG A 100 9.565 19.397 -21.539 1.00 11.42 H new ATOM 0 HE ARG A 100 7.424 18.950 -20.590 1.00 12.42 H new ATOM 0 HH11 ARG A 100 7.165 21.090 -23.438 1.00 1.41 H new ATOM 0 HH12 ARG A 100 5.414 20.895 -23.571 1.00 1.41 H new ATOM 0 HH21 ARG A 100 5.197 18.711 -20.771 1.00 31.21 H new ATOM 0 HH22 ARG A 100 4.298 19.537 -22.047 1.00 31.21 H new ATOM 1585 N LEU A 101 10.842 18.773 -19.392 1.00 13.43 N ATOM 1586 CA LEU A 101 11.525 17.699 -20.091 1.00 63.31 C ATOM 1587 C LEU A 101 10.495 16.834 -20.820 1.00 30.32 C ATOM 1588 O LEU A 101 9.305 16.888 -20.513 1.00 1.31 O ATOM 1589 CB LEU A 101 12.416 16.913 -19.126 1.00 51.14 C ATOM 1590 CG LEU A 101 12.463 17.428 -17.686 1.00 51.24 C ATOM 1591 CD1 LEU A 101 13.374 16.556 -16.822 1.00 24.55 C ATOM 1592 CD2 LEU A 101 12.872 18.902 -17.644 1.00 72.14 C ATOM 0 H LEU A 101 10.233 18.468 -18.632 1.00 13.43 H new ATOM 0 HA LEU A 101 12.195 18.104 -20.849 1.00 63.31 H new ATOM 0 HB2 LEU A 101 12.075 15.878 -19.110 1.00 51.14 H new ATOM 0 HB3 LEU A 101 13.431 16.908 -19.522 1.00 51.14 H new ATOM 0 HG LEU A 101 11.459 17.360 -17.266 1.00 51.24 H new ATOM 0 HD11 LEU A 101 13.390 16.944 -15.803 1.00 24.55 H new ATOM 0 HD12 LEU A 101 12.998 15.533 -16.815 1.00 24.55 H new ATOM 0 HD13 LEU A 101 14.384 16.569 -17.231 1.00 24.55 H new ATOM 0 HD21 LEU A 101 12.898 19.243 -16.609 1.00 72.14 H new ATOM 0 HD22 LEU A 101 13.860 19.018 -18.089 1.00 72.14 H new ATOM 0 HD23 LEU A 101 12.150 19.496 -18.204 1.00 72.14 H new ATOM 1604 N GLU A 102 10.990 16.055 -21.771 1.00 53.40 N ATOM 1605 CA GLU A 102 10.127 15.180 -22.546 1.00 32.01 C ATOM 1606 C GLU A 102 10.003 13.816 -21.863 1.00 44.32 C ATOM 1607 O GLU A 102 10.861 13.436 -21.068 1.00 2.42 O ATOM 1608 CB GLU A 102 10.642 15.031 -23.979 1.00 15.01 C ATOM 1609 CG GLU A 102 10.680 16.385 -24.691 1.00 61.42 C ATOM 1610 CD GLU A 102 9.544 16.501 -25.710 1.00 22.23 C ATOM 1611 OE1 GLU A 102 9.318 15.568 -26.495 1.00 50.30 O ATOM 1612 OE2 GLU A 102 8.884 17.608 -25.666 1.00 51.21 O ATOM 0 H GLU A 102 11.978 16.012 -22.022 1.00 53.40 H new ATOM 0 HA GLU A 102 9.136 15.631 -22.596 1.00 32.01 H new ATOM 0 HB2 GLU A 102 11.641 14.594 -23.967 1.00 15.01 H new ATOM 0 HB3 GLU A 102 10.000 14.344 -24.530 1.00 15.01 H new ATOM 0 HG2 GLU A 102 10.599 17.188 -23.958 1.00 61.42 H new ATOM 0 HG3 GLU A 102 11.639 16.508 -25.194 1.00 61.42 H new ATOM 1620 N PRO A 103 8.901 13.099 -22.208 1.00 33.33 N ATOM 1621 CA PRO A 103 8.654 11.785 -21.637 1.00 51.50 C ATOM 1622 C PRO A 103 9.575 10.735 -22.260 1.00 60.24 C ATOM 1623 O PRO A 103 9.108 9.710 -22.754 1.00 63.53 O ATOM 1624 CB PRO A 103 7.181 11.514 -21.897 1.00 62.12 C ATOM 1625 CG PRO A 103 6.770 12.470 -23.005 1.00 3.42 C ATOM 1626 CD PRO A 103 7.863 13.517 -23.146 1.00 65.13 C ATOM 0 HA PRO A 103 8.870 11.742 -20.570 1.00 51.50 H new ATOM 0 HB2 PRO A 103 7.021 10.478 -22.196 1.00 62.12 H new ATOM 0 HB3 PRO A 103 6.589 11.681 -20.997 1.00 62.12 H new ATOM 0 HG2 PRO A 103 6.634 11.932 -23.943 1.00 3.42 H new ATOM 0 HG3 PRO A 103 5.817 12.943 -22.768 1.00 3.42 H new ATOM 0 HD2 PRO A 103 8.244 13.556 -24.166 1.00 65.13 H new ATOM 0 HD3 PRO A 103 7.490 14.513 -22.906 1.00 65.13 H new ATOM 1634 N HIS A 104 10.867 11.026 -22.217 1.00 12.11 N ATOM 1635 CA HIS A 104 11.858 10.119 -22.771 1.00 54.11 C ATOM 1636 C HIS A 104 13.217 10.818 -22.830 1.00 3.15 C ATOM 1637 O HIS A 104 14.236 10.235 -22.461 1.00 14.05 O ATOM 1638 CB HIS A 104 11.405 9.587 -24.132 1.00 65.23 C ATOM 1639 CG HIS A 104 10.771 8.218 -24.076 1.00 73.33 C ATOM 1640 ND1 HIS A 104 11.402 7.121 -23.516 1.00 62.12 N ATOM 1641 CD2 HIS A 104 9.556 7.780 -24.515 1.00 15.12 C ATOM 1642 CE1 HIS A 104 10.595 6.076 -23.619 1.00 73.44 C ATOM 1643 NE2 HIS A 104 9.451 6.486 -24.239 1.00 50.10 N ATOM 0 H HIS A 104 11.251 11.878 -21.807 1.00 12.11 H new ATOM 0 HA HIS A 104 11.964 9.249 -22.123 1.00 54.11 H new ATOM 0 HB2 HIS A 104 10.693 10.289 -24.566 1.00 65.23 H new ATOM 0 HB3 HIS A 104 12.265 9.551 -24.801 1.00 65.23 H new ATOM 0 HD2 HIS A 104 8.806 8.384 -25.004 1.00 15.12 H new ATOM 0 HE1 HIS A 104 10.806 5.075 -23.273 1.00 73.44 H new ATOM 0 HE2 HIS A 104 8.648 5.896 -24.455 1.00 50.10 H new ATOM 1651 N LYS A 105 13.190 12.058 -23.296 1.00 72.21 N ATOM 1652 CA LYS A 105 14.408 12.843 -23.408 1.00 35.33 C ATOM 1653 C LYS A 105 14.845 13.298 -22.014 1.00 51.42 C ATOM 1654 O LYS A 105 14.073 13.927 -21.292 1.00 40.31 O ATOM 1655 CB LYS A 105 14.215 13.993 -24.399 1.00 31.55 C ATOM 1656 CG LYS A 105 14.329 15.347 -23.696 1.00 23.22 C ATOM 1657 CD LYS A 105 14.958 16.392 -24.619 1.00 4.20 C ATOM 1658 CE LYS A 105 13.898 17.351 -25.164 1.00 2.31 C ATOM 1659 NZ LYS A 105 14.518 18.632 -25.571 1.00 3.11 N ATOM 0 H LYS A 105 12.344 12.539 -23.601 1.00 72.21 H new ATOM 0 HA LYS A 105 15.217 12.236 -23.814 1.00 35.33 H new ATOM 0 HB2 LYS A 105 14.962 13.926 -25.190 1.00 31.55 H new ATOM 0 HB3 LYS A 105 13.238 13.907 -24.875 1.00 31.55 H new ATOM 0 HG2 LYS A 105 13.341 15.682 -23.382 1.00 23.22 H new ATOM 0 HG3 LYS A 105 14.932 15.243 -22.794 1.00 23.22 H new ATOM 0 HD2 LYS A 105 15.716 16.954 -24.074 1.00 4.20 H new ATOM 0 HD3 LYS A 105 15.463 15.894 -25.447 1.00 4.20 H new ATOM 0 HE2 LYS A 105 13.393 16.898 -26.017 1.00 2.31 H new ATOM 0 HE3 LYS A 105 13.139 17.533 -24.404 1.00 2.31 H new ATOM 0 HZ1 LYS A 105 13.785 19.271 -25.939 1.00 3.11 H new ATOM 0 HZ2 LYS A 105 14.980 19.071 -24.749 1.00 3.11 H new ATOM 0 HZ3 LYS A 105 15.226 18.455 -26.312 1.00 3.11 H new ATOM 1672 N PRO A 106 16.115 12.954 -21.669 1.00 54.32 N ATOM 1673 CA PRO A 106 16.664 13.321 -20.375 1.00 41.22 C ATOM 1674 C PRO A 106 17.018 14.809 -20.332 1.00 24.03 C ATOM 1675 O PRO A 106 17.200 15.438 -21.373 1.00 1.21 O ATOM 1676 CB PRO A 106 17.872 12.417 -20.190 1.00 12.21 C ATOM 1677 CG PRO A 106 18.227 11.907 -21.577 1.00 44.20 C ATOM 1678 CD PRO A 106 17.057 12.210 -22.499 1.00 24.31 C ATOM 0 HA PRO A 106 15.952 13.184 -19.561 1.00 41.22 H new ATOM 0 HB2 PRO A 106 18.706 12.964 -19.750 1.00 12.21 H new ATOM 0 HB3 PRO A 106 17.642 11.591 -19.517 1.00 12.21 H new ATOM 0 HG2 PRO A 106 19.134 12.390 -21.940 1.00 44.20 H new ATOM 0 HG3 PRO A 106 18.425 10.835 -21.551 1.00 44.20 H new ATOM 0 HD2 PRO A 106 17.374 12.796 -23.361 1.00 24.31 H new ATOM 0 HD3 PRO A 106 16.608 11.294 -22.884 1.00 24.31 H new ATOM 1686 N GLN A 107 17.106 15.328 -19.116 1.00 3.30 N ATOM 1687 CA GLN A 107 17.436 16.730 -18.923 1.00 51.31 C ATOM 1688 C GLN A 107 18.472 16.883 -17.808 1.00 1.41 C ATOM 1689 O GLN A 107 18.175 16.634 -16.641 1.00 15.23 O ATOM 1690 CB GLN A 107 16.181 17.552 -18.622 1.00 50.21 C ATOM 1691 CG GLN A 107 16.536 18.845 -17.886 1.00 1.44 C ATOM 1692 CD GLN A 107 17.550 19.669 -18.682 1.00 51.32 C ATOM 1693 OE1 GLN A 107 17.454 19.821 -19.889 1.00 21.00 O ATOM 1694 NE2 GLN A 107 18.524 20.191 -17.942 1.00 13.41 N ATOM 0 H GLN A 107 16.955 14.803 -18.255 1.00 3.30 H new ATOM 0 HA GLN A 107 17.868 17.112 -19.848 1.00 51.31 H new ATOM 0 HB2 GLN A 107 15.665 17.789 -19.553 1.00 50.21 H new ATOM 0 HB3 GLN A 107 15.492 16.962 -18.017 1.00 50.21 H new ATOM 0 HG2 GLN A 107 15.633 19.433 -17.721 1.00 1.44 H new ATOM 0 HG3 GLN A 107 16.946 18.608 -16.904 1.00 1.44 H new ATOM 0 HE21 GLN A 107 18.545 20.025 -16.936 1.00 13.41 H new ATOM 0 HE22 GLN A 107 19.250 20.758 -18.381 1.00 13.41 H new ATOM 1703 N GLN A 108 19.667 17.293 -18.207 1.00 25.44 N ATOM 1704 CA GLN A 108 20.749 17.482 -17.255 1.00 64.13 C ATOM 1705 C GLN A 108 20.228 18.161 -15.987 1.00 24.30 C ATOM 1706 O GLN A 108 19.141 18.736 -15.989 1.00 3.25 O ATOM 1707 CB GLN A 108 21.892 18.286 -17.878 1.00 3.43 C ATOM 1708 CG GLN A 108 22.018 19.661 -17.218 1.00 2.03 C ATOM 1709 CD GLN A 108 23.136 20.480 -17.866 1.00 53.44 C ATOM 1710 OE1 GLN A 108 23.259 20.560 -19.078 1.00 1.45 O ATOM 1711 NE2 GLN A 108 23.940 21.083 -16.995 1.00 62.14 N ATOM 0 H GLN A 108 19.910 17.500 -19.176 1.00 25.44 H new ATOM 0 HA GLN A 108 21.143 16.503 -16.983 1.00 64.13 H new ATOM 0 HB2 GLN A 108 22.828 17.739 -17.768 1.00 3.43 H new ATOM 0 HB3 GLN A 108 21.716 18.406 -18.947 1.00 3.43 H new ATOM 0 HG2 GLN A 108 21.073 20.197 -17.304 1.00 2.03 H new ATOM 0 HG3 GLN A 108 22.221 19.540 -16.154 1.00 2.03 H new ATOM 0 HE21 GLN A 108 23.780 20.974 -15.993 1.00 62.14 H new ATOM 0 HE22 GLN A 108 24.716 21.655 -17.328 1.00 62.14 H new ATOM 1720 N ILE A 109 21.028 18.071 -14.935 1.00 24.23 N ATOM 1721 CA ILE A 109 20.662 18.669 -13.662 1.00 54.14 C ATOM 1722 C ILE A 109 21.900 19.304 -13.027 1.00 12.44 C ATOM 1723 O ILE A 109 22.800 18.600 -12.572 1.00 75.41 O ATOM 1724 CB ILE A 109 19.969 17.640 -12.766 1.00 44.22 C ATOM 1725 CG1 ILE A 109 18.976 16.796 -13.567 1.00 31.11 C ATOM 1726 CG2 ILE A 109 19.308 18.317 -11.564 1.00 1.01 C ATOM 1727 CD1 ILE A 109 17.705 17.590 -13.874 1.00 73.23 C ATOM 0 H ILE A 109 21.929 17.593 -14.938 1.00 24.23 H new ATOM 0 HA ILE A 109 19.935 19.468 -13.811 1.00 54.14 H new ATOM 0 HB ILE A 109 20.727 16.961 -12.376 1.00 44.22 H new ATOM 0 HG12 ILE A 109 19.439 16.469 -14.498 1.00 31.11 H new ATOM 0 HG13 ILE A 109 18.721 15.897 -13.005 1.00 31.11 H new ATOM 0 HG21 ILE A 109 18.823 17.564 -10.943 1.00 1.01 H new ATOM 0 HG22 ILE A 109 20.065 18.837 -10.978 1.00 1.01 H new ATOM 0 HG23 ILE A 109 18.564 19.033 -11.913 1.00 1.01 H new ATOM 0 HD11 ILE A 109 17.016 16.967 -14.444 1.00 73.23 H new ATOM 0 HD12 ILE A 109 17.232 17.894 -12.940 1.00 73.23 H new ATOM 0 HD13 ILE A 109 17.961 18.475 -14.456 1.00 73.23 H new ATOM 1739 N PRO A 110 21.906 20.664 -13.015 1.00 2.32 N ATOM 1740 CA PRO A 110 23.019 21.403 -12.442 1.00 60.43 C ATOM 1741 C PRO A 110 22.980 21.355 -10.914 1.00 22.15 C ATOM 1742 O PRO A 110 21.974 20.959 -10.327 1.00 24.14 O ATOM 1743 CB PRO A 110 22.883 22.811 -12.996 1.00 41.44 C ATOM 1744 CG PRO A 110 21.448 22.931 -13.482 1.00 51.54 C ATOM 1745 CD PRO A 110 20.858 21.532 -13.544 1.00 60.00 C ATOM 0 HA PRO A 110 23.987 20.977 -12.706 1.00 60.43 H new ATOM 0 HB2 PRO A 110 23.099 23.555 -12.229 1.00 41.44 H new ATOM 0 HB3 PRO A 110 23.587 22.980 -13.811 1.00 41.44 H new ATOM 0 HG2 PRO A 110 20.868 23.560 -12.807 1.00 51.54 H new ATOM 0 HG3 PRO A 110 21.416 23.403 -14.464 1.00 51.54 H new ATOM 0 HD2 PRO A 110 19.947 21.460 -12.950 1.00 60.00 H new ATOM 0 HD3 PRO A 110 20.595 21.258 -14.566 1.00 60.00 H new ATOM 1753 N ILE A 111 24.088 21.764 -10.312 1.00 54.23 N ATOM 1754 CA ILE A 111 24.193 21.773 -8.863 1.00 52.41 C ATOM 1755 C ILE A 111 23.330 22.904 -8.301 1.00 14.45 C ATOM 1756 O ILE A 111 23.138 23.928 -8.955 1.00 2.32 O ATOM 1757 CB ILE A 111 25.659 21.847 -8.433 1.00 22.42 C ATOM 1758 CG1 ILE A 111 26.506 20.827 -9.197 1.00 4.11 C ATOM 1759 CG2 ILE A 111 25.795 21.684 -6.917 1.00 72.25 C ATOM 1760 CD1 ILE A 111 25.929 19.417 -9.054 1.00 50.53 C ATOM 0 H ILE A 111 24.921 22.091 -10.802 1.00 54.23 H new ATOM 0 HA ILE A 111 23.809 20.841 -8.447 1.00 52.41 H new ATOM 0 HB ILE A 111 26.040 22.837 -8.686 1.00 22.42 H new ATOM 0 HG12 ILE A 111 26.548 21.101 -10.251 1.00 4.11 H new ATOM 0 HG13 ILE A 111 27.529 20.845 -8.822 1.00 4.11 H new ATOM 0 HG21 ILE A 111 26.847 21.740 -6.638 1.00 72.25 H new ATOM 0 HG22 ILE A 111 25.243 22.479 -6.415 1.00 72.25 H new ATOM 0 HG23 ILE A 111 25.392 20.717 -6.617 1.00 72.25 H new ATOM 0 HD11 ILE A 111 26.550 18.712 -9.607 1.00 50.53 H new ATOM 0 HD12 ILE A 111 25.911 19.136 -8.001 1.00 50.53 H new ATOM 0 HD13 ILE A 111 24.915 19.397 -9.453 1.00 50.53 H new ATOM 1772 N ASP A 112 22.831 22.681 -7.093 1.00 44.23 N ATOM 1773 CA ASP A 112 21.993 23.669 -6.435 1.00 61.13 C ATOM 1774 C ASP A 112 20.793 23.990 -7.329 1.00 64.00 C ATOM 1775 O ASP A 112 20.136 25.013 -7.147 1.00 54.31 O ATOM 1776 CB ASP A 112 22.762 24.969 -6.191 1.00 32.22 C ATOM 1777 CG ASP A 112 22.290 25.782 -4.984 1.00 30.13 C ATOM 1778 OD1 ASP A 112 21.743 25.231 -4.017 1.00 74.01 O ATOM 1779 OD2 ASP A 112 22.507 27.051 -5.063 1.00 2.13 O ATOM 0 H ASP A 112 22.991 21.830 -6.553 1.00 44.23 H new ATOM 0 HA ASP A 112 21.671 23.256 -5.479 1.00 61.13 H new ATOM 0 HB2 ASP A 112 23.817 24.730 -6.059 1.00 32.22 H new ATOM 0 HB3 ASP A 112 22.685 25.592 -7.082 1.00 32.22 H new ATOM 1785 N SER A 113 20.545 23.097 -8.275 1.00 62.53 N ATOM 1786 CA SER A 113 19.436 23.272 -9.198 1.00 23.12 C ATOM 1787 C SER A 113 18.116 22.948 -8.496 1.00 53.31 C ATOM 1788 O SER A 113 18.076 22.805 -7.275 1.00 63.31 O ATOM 1789 CB SER A 113 19.608 22.393 -10.438 1.00 75.22 C ATOM 1790 OG SER A 113 18.481 22.471 -11.308 1.00 3.32 O ATOM 0 H SER A 113 21.093 22.249 -8.423 1.00 62.53 H new ATOM 0 HA SER A 113 19.422 24.312 -9.523 1.00 23.12 H new ATOM 0 HB2 SER A 113 20.504 22.699 -10.978 1.00 75.22 H new ATOM 0 HB3 SER A 113 19.758 21.358 -10.131 1.00 75.22 H new ATOM 0 HG SER A 113 18.712 23.006 -12.096 1.00 3.32 H new ATOM 1796 N THR A 114 17.067 22.843 -9.298 1.00 54.13 N ATOM 1797 CA THR A 114 15.748 22.539 -8.770 1.00 13.23 C ATOM 1798 C THR A 114 14.872 21.906 -9.853 1.00 10.13 C ATOM 1799 O THR A 114 14.747 22.448 -10.950 1.00 33.40 O ATOM 1800 CB THR A 114 15.162 23.829 -8.191 1.00 74.41 C ATOM 1801 OG1 THR A 114 15.978 24.102 -7.055 1.00 74.33 O ATOM 1802 CG2 THR A 114 13.763 23.625 -7.605 1.00 21.32 C ATOM 0 H THR A 114 17.104 22.963 -10.310 1.00 54.13 H new ATOM 0 HA THR A 114 15.803 21.801 -7.969 1.00 13.23 H new ATOM 0 HB THR A 114 15.122 24.591 -8.970 1.00 74.41 H new ATOM 0 HG1 THR A 114 16.461 23.289 -6.796 1.00 74.33 H new ATOM 0 HG21 THR A 114 13.393 24.570 -7.208 1.00 21.32 H new ATOM 0 HG22 THR A 114 13.090 23.271 -8.386 1.00 21.32 H new ATOM 0 HG23 THR A 114 13.808 22.888 -6.803 1.00 21.32 H new ATOM 1810 N VAL A 115 14.289 20.768 -9.507 1.00 15.05 N ATOM 1811 CA VAL A 115 13.428 20.055 -10.436 1.00 1.35 C ATOM 1812 C VAL A 115 12.055 19.846 -9.794 1.00 20.21 C ATOM 1813 O VAL A 115 11.952 19.677 -8.580 1.00 4.42 O ATOM 1814 CB VAL A 115 14.093 18.746 -10.866 1.00 1.24 C ATOM 1815 CG1 VAL A 115 15.502 18.630 -10.282 1.00 25.41 C ATOM 1816 CG2 VAL A 115 13.236 17.541 -10.474 1.00 13.14 C ATOM 0 H VAL A 115 14.396 20.322 -8.596 1.00 15.05 H new ATOM 0 HA VAL A 115 13.277 20.640 -11.343 1.00 1.35 H new ATOM 0 HB VAL A 115 14.180 18.755 -11.952 1.00 1.24 H new ATOM 0 HG11 VAL A 115 15.953 17.691 -10.603 1.00 25.41 H new ATOM 0 HG12 VAL A 115 16.111 19.463 -10.633 1.00 25.41 H new ATOM 0 HG13 VAL A 115 15.448 18.653 -9.194 1.00 25.41 H new ATOM 0 HG21 VAL A 115 13.732 16.623 -10.791 1.00 13.14 H new ATOM 0 HG22 VAL A 115 13.102 17.526 -9.392 1.00 13.14 H new ATOM 0 HG23 VAL A 115 12.262 17.614 -10.959 1.00 13.14 H new ATOM 1826 N SER A 116 11.034 19.863 -10.638 1.00 60.11 N ATOM 1827 CA SER A 116 9.672 19.677 -10.169 1.00 34.14 C ATOM 1828 C SER A 116 8.923 18.722 -11.101 1.00 12.04 C ATOM 1829 O SER A 116 8.658 19.055 -12.255 1.00 4.33 O ATOM 1830 CB SER A 116 8.934 21.014 -10.075 1.00 20.04 C ATOM 1831 OG SER A 116 8.295 21.359 -11.301 1.00 65.20 O ATOM 0 H SER A 116 11.123 20.003 -11.644 1.00 60.11 H new ATOM 0 HA SER A 116 9.711 19.243 -9.170 1.00 34.14 H new ATOM 0 HB2 SER A 116 8.190 20.962 -9.280 1.00 20.04 H new ATOM 0 HB3 SER A 116 9.639 21.799 -9.800 1.00 20.04 H new ATOM 0 HG SER A 116 8.242 20.568 -11.876 1.00 65.20 H new ATOM 1837 N PHE A 117 8.602 17.553 -10.565 1.00 1.52 N ATOM 1838 CA PHE A 117 7.889 16.548 -11.334 1.00 70.10 C ATOM 1839 C PHE A 117 6.463 17.006 -11.646 1.00 34.44 C ATOM 1840 O PHE A 117 6.059 18.101 -11.257 1.00 22.53 O ATOM 1841 CB PHE A 117 7.830 15.285 -10.473 1.00 31.22 C ATOM 1842 CG PHE A 117 9.109 14.446 -10.510 1.00 71.23 C ATOM 1843 CD1 PHE A 117 10.322 15.051 -10.405 1.00 24.24 C ATOM 1844 CD2 PHE A 117 9.032 13.095 -10.650 1.00 3.15 C ATOM 1845 CE1 PHE A 117 11.509 14.272 -10.439 1.00 43.24 C ATOM 1846 CE2 PHE A 117 10.219 12.316 -10.684 1.00 43.54 C ATOM 1847 CZ PHE A 117 11.433 12.921 -10.579 1.00 12.53 C ATOM 0 H PHE A 117 8.823 17.280 -9.607 1.00 1.52 H new ATOM 0 HA PHE A 117 8.400 16.372 -12.280 1.00 70.10 H new ATOM 0 HB2 PHE A 117 7.625 15.570 -9.441 1.00 31.22 H new ATOM 0 HB3 PHE A 117 6.994 14.670 -10.806 1.00 31.22 H new ATOM 0 HD1 PHE A 117 10.383 16.124 -10.296 1.00 24.24 H new ATOM 0 HD2 PHE A 117 8.068 12.615 -10.735 1.00 3.15 H new ATOM 0 HE1 PHE A 117 12.472 14.752 -10.354 1.00 43.24 H new ATOM 0 HE2 PHE A 117 10.158 11.243 -10.793 1.00 43.54 H new ATOM 0 HZ PHE A 117 12.336 12.329 -10.607 1.00 12.53 H new ATOM 1922 N ALA A 123 10.711 20.449 -5.089 1.00 10.22 N ATOM 1923 CA ALA A 123 11.723 21.138 -5.871 1.00 65.44 C ATOM 1924 C ALA A 123 13.075 20.451 -5.666 1.00 21.05 C ATOM 1925 O ALA A 123 14.026 21.073 -5.193 1.00 35.52 O ATOM 1926 CB ALA A 123 11.755 22.616 -5.479 1.00 13.03 C ATOM 0 HA ALA A 123 11.485 21.089 -6.934 1.00 65.44 H new ATOM 0 HB1 ALA A 123 12.515 23.132 -6.066 1.00 13.03 H new ATOM 0 HB2 ALA A 123 10.781 23.065 -5.672 1.00 13.03 H new ATOM 0 HB3 ALA A 123 11.993 22.706 -4.419 1.00 13.03 H new ATOM 1932 N TYR A 124 13.118 19.178 -6.031 1.00 11.14 N ATOM 1933 CA TYR A 124 14.337 18.400 -5.892 1.00 4.32 C ATOM 1934 C TYR A 124 15.569 19.249 -6.217 1.00 33.54 C ATOM 1935 O TYR A 124 15.838 19.538 -7.381 1.00 71.24 O ATOM 1936 CB TYR A 124 14.232 17.265 -6.912 1.00 34.23 C ATOM 1937 CG TYR A 124 13.067 16.306 -6.657 1.00 53.32 C ATOM 1938 CD1 TYR A 124 12.270 16.469 -5.542 1.00 53.52 C ATOM 1939 CD2 TYR A 124 12.813 15.278 -7.542 1.00 54.54 C ATOM 1940 CE1 TYR A 124 11.173 15.567 -5.303 1.00 2.34 C ATOM 1941 CE2 TYR A 124 11.716 14.376 -7.303 1.00 1.42 C ATOM 1942 CZ TYR A 124 10.951 14.565 -6.195 1.00 15.32 C ATOM 1943 OH TYR A 124 9.915 13.713 -5.968 1.00 51.35 O ATOM 0 H TYR A 124 12.328 18.666 -6.423 1.00 11.14 H new ATOM 0 HA TYR A 124 14.445 18.035 -4.871 1.00 4.32 H new ATOM 0 HB2 TYR A 124 14.125 17.694 -7.908 1.00 34.23 H new ATOM 0 HB3 TYR A 124 15.163 16.699 -6.907 1.00 34.23 H new ATOM 0 HD1 TYR A 124 12.469 17.273 -4.849 1.00 53.52 H new ATOM 0 HD2 TYR A 124 13.437 15.150 -8.414 1.00 54.54 H new ATOM 0 HE1 TYR A 124 10.541 15.684 -4.435 1.00 2.34 H new ATOM 0 HE2 TYR A 124 11.506 13.568 -7.988 1.00 1.42 H new ATOM 0 HH TYR A 124 9.363 14.057 -5.235 1.00 51.35 H new ATOM 1953 N THR A 125 16.283 19.623 -5.166 1.00 4.31 N ATOM 1954 CA THR A 125 17.480 20.433 -5.325 1.00 32.44 C ATOM 1955 C THR A 125 18.727 19.547 -5.317 1.00 44.15 C ATOM 1956 O THR A 125 19.176 19.109 -4.259 1.00 41.12 O ATOM 1957 CB THR A 125 17.482 21.494 -4.223 1.00 51.41 C ATOM 1958 OG1 THR A 125 16.749 22.580 -4.786 1.00 24.44 O ATOM 1959 CG2 THR A 125 18.875 22.075 -3.972 1.00 50.45 C ATOM 0 H THR A 125 16.057 19.381 -4.201 1.00 4.31 H new ATOM 0 HA THR A 125 17.488 20.944 -6.288 1.00 32.44 H new ATOM 0 HB THR A 125 17.098 21.059 -3.300 1.00 51.41 H new ATOM 0 HG1 THR A 125 15.831 22.293 -4.974 1.00 24.44 H new ATOM 0 HG21 THR A 125 18.820 22.823 -3.181 1.00 50.45 H new ATOM 0 HG22 THR A 125 19.553 21.277 -3.670 1.00 50.45 H new ATOM 0 HG23 THR A 125 19.245 22.540 -4.886 1.00 50.45 H new ATOM 1967 N LEU A 126 19.252 19.310 -6.511 1.00 24.15 N ATOM 1968 CA LEU A 126 20.439 18.484 -6.655 1.00 45.51 C ATOM 1969 C LEU A 126 21.660 19.263 -6.161 1.00 2.22 C ATOM 1970 O LEU A 126 22.104 20.207 -6.812 1.00 43.23 O ATOM 1971 CB LEU A 126 20.571 17.983 -8.095 1.00 5.23 C ATOM 1972 CG LEU A 126 21.907 17.331 -8.458 1.00 41.31 C ATOM 1973 CD1 LEU A 126 22.937 18.385 -8.869 1.00 64.24 C ATOM 1974 CD2 LEU A 126 22.415 16.448 -7.317 1.00 12.25 C ATOM 0 H LEU A 126 18.877 19.675 -7.387 1.00 24.15 H new ATOM 0 HA LEU A 126 20.359 17.590 -6.036 1.00 45.51 H new ATOM 0 HB2 LEU A 126 19.775 17.263 -8.283 1.00 5.23 H new ATOM 0 HB3 LEU A 126 20.405 18.824 -8.768 1.00 5.23 H new ATOM 0 HG LEU A 126 21.747 16.683 -9.320 1.00 41.31 H new ATOM 0 HD11 LEU A 126 23.877 17.895 -9.122 1.00 64.24 H new ATOM 0 HD12 LEU A 126 22.569 18.934 -9.736 1.00 64.24 H new ATOM 0 HD13 LEU A 126 23.099 19.077 -8.043 1.00 64.24 H new ATOM 0 HD21 LEU A 126 23.366 15.997 -7.602 1.00 12.25 H new ATOM 0 HD22 LEU A 126 22.554 17.054 -6.422 1.00 12.25 H new ATOM 0 HD23 LEU A 126 21.687 15.662 -7.113 1.00 12.25 H new ATOM 1986 N ARG A 127 22.168 18.839 -5.013 1.00 70.30 N ATOM 1987 CA ARG A 127 23.329 19.484 -4.424 1.00 14.52 C ATOM 1988 C ARG A 127 24.601 18.707 -4.768 1.00 35.32 C ATOM 1989 O ARG A 127 24.560 17.759 -5.550 1.00 60.43 O ATOM 1990 CB ARG A 127 23.193 19.580 -2.903 1.00 31.42 C ATOM 1991 CG ARG A 127 23.488 20.999 -2.414 1.00 2.02 C ATOM 1992 CD ARG A 127 22.332 21.945 -2.745 1.00 61.22 C ATOM 1993 NE ARG A 127 21.215 21.730 -1.798 1.00 60.25 N ATOM 1994 CZ ARG A 127 21.123 22.322 -0.589 1.00 42.40 C ATOM 1995 NH1 ARG A 127 22.083 23.173 -0.168 1.00 43.12 N ATOM 1996 NH2 ARG A 127 20.081 22.058 0.176 1.00 34.40 N ATOM 0 H ARG A 127 21.796 18.056 -4.475 1.00 70.30 H new ATOM 0 HA ARG A 127 23.393 20.491 -4.836 1.00 14.52 H new ATOM 0 HB2 ARG A 127 22.185 19.291 -2.606 1.00 31.42 H new ATOM 0 HB3 ARG A 127 23.879 18.878 -2.428 1.00 31.42 H new ATOM 0 HG2 ARG A 127 23.657 20.989 -1.337 1.00 2.02 H new ATOM 0 HG3 ARG A 127 24.405 21.364 -2.877 1.00 2.02 H new ATOM 0 HD2 ARG A 127 22.671 22.980 -2.691 1.00 61.22 H new ATOM 0 HD3 ARG A 127 21.992 21.774 -3.766 1.00 61.22 H new ATOM 0 HE ARG A 127 20.468 21.094 -2.077 1.00 60.25 H new ATOM 0 HH11 ARG A 127 22.885 23.373 -0.765 1.00 43.12 H new ATOM 0 HH12 ARG A 127 22.006 23.616 0.747 1.00 43.12 H new ATOM 0 HH21 ARG A 127 19.360 21.414 -0.149 1.00 34.40 H new ATOM 0 HH22 ARG A 127 19.997 22.497 1.093 1.00 34.40 H new ATOM 2009 N GLU A 128 25.700 19.137 -4.166 1.00 72.21 N ATOM 2010 CA GLU A 128 26.981 18.493 -4.399 1.00 23.40 C ATOM 2011 C GLU A 128 27.929 18.757 -3.227 1.00 40.14 C ATOM 2012 O GLU A 128 28.460 19.858 -3.090 1.00 63.05 O ATOM 2013 CB GLU A 128 27.598 18.960 -5.719 1.00 72.51 C ATOM 2014 CG GLU A 128 29.098 18.663 -5.759 1.00 4.35 C ATOM 2015 CD GLU A 128 29.575 18.440 -7.195 1.00 65.10 C ATOM 2016 OE1 GLU A 128 30.496 17.642 -7.425 1.00 71.54 O ATOM 2017 OE2 GLU A 128 28.953 19.130 -8.090 1.00 22.12 O ATOM 0 H GLU A 128 25.730 19.924 -3.517 1.00 72.21 H new ATOM 0 HA GLU A 128 26.817 17.418 -4.473 1.00 23.40 H new ATOM 0 HB2 GLU A 128 27.103 18.462 -6.552 1.00 72.51 H new ATOM 0 HB3 GLU A 128 27.432 20.030 -5.843 1.00 72.51 H new ATOM 0 HG2 GLU A 128 29.648 19.492 -5.314 1.00 4.35 H new ATOM 0 HG3 GLU A 128 29.313 17.779 -5.159 1.00 4.35 H new ATOM 2025 N LYS A 129 28.112 17.729 -2.412 1.00 61.11 N ATOM 2026 CA LYS A 129 28.987 17.836 -1.257 1.00 14.44 C ATOM 2027 C LYS A 129 30.198 18.699 -1.618 1.00 32.44 C ATOM 2028 O LYS A 129 31.155 18.211 -2.217 1.00 11.11 O ATOM 2029 CB LYS A 129 29.355 16.447 -0.732 1.00 50.04 C ATOM 2030 CG LYS A 129 28.111 15.692 -0.258 1.00 43.40 C ATOM 2031 CD LYS A 129 28.498 14.428 0.512 1.00 73.12 C ATOM 2032 CE LYS A 129 29.543 14.737 1.585 1.00 10.43 C ATOM 2033 NZ LYS A 129 29.566 13.669 2.610 1.00 53.43 N ATOM 0 H LYS A 129 27.669 16.818 -2.529 1.00 61.11 H new ATOM 0 HA LYS A 129 28.473 18.335 -0.435 1.00 14.44 H new ATOM 0 HB2 LYS A 129 29.853 15.878 -1.517 1.00 50.04 H new ATOM 0 HB3 LYS A 129 30.063 16.541 0.091 1.00 50.04 H new ATOM 0 HG2 LYS A 129 27.508 16.340 0.379 1.00 43.40 H new ATOM 0 HG3 LYS A 129 27.494 15.425 -1.116 1.00 43.40 H new ATOM 0 HD2 LYS A 129 27.612 13.995 0.976 1.00 73.12 H new ATOM 0 HD3 LYS A 129 28.891 13.683 -0.180 1.00 73.12 H new ATOM 0 HE2 LYS A 129 30.527 14.830 1.126 1.00 10.43 H new ATOM 0 HE3 LYS A 129 29.318 15.695 2.054 1.00 10.43 H new ATOM 0 HZ1 LYS A 129 30.281 13.895 3.331 1.00 53.43 H new ATOM 0 HZ2 LYS A 129 28.631 13.599 3.060 1.00 53.43 H new ATOM 0 HZ3 LYS A 129 29.802 12.761 2.160 1.00 53.43 H new ATOM 2046 N PRO A 130 30.115 19.999 -1.227 1.00 74.25 N ATOM 2047 CA PRO A 130 31.192 20.934 -1.504 1.00 21.54 C ATOM 2048 C PRO A 130 32.380 20.693 -0.569 1.00 54.01 C ATOM 2049 O PRO A 130 32.488 19.631 0.042 1.00 63.14 O ATOM 2050 CB PRO A 130 30.572 22.311 -1.333 1.00 73.45 C ATOM 2051 CG PRO A 130 29.305 22.100 -0.520 1.00 61.50 C ATOM 2052 CD PRO A 130 28.997 20.611 -0.516 1.00 15.22 C ATOM 0 HA PRO A 130 31.602 20.819 -2.507 1.00 21.54 H new ATOM 0 HB2 PRO A 130 31.257 22.987 -0.821 1.00 73.45 H new ATOM 0 HB3 PRO A 130 30.345 22.760 -2.300 1.00 73.45 H new ATOM 0 HG2 PRO A 130 29.440 22.465 0.498 1.00 61.50 H new ATOM 0 HG3 PRO A 130 28.476 22.660 -0.952 1.00 61.50 H new ATOM 0 HD2 PRO A 130 28.916 20.226 0.501 1.00 15.22 H new ATOM 0 HD3 PRO A 130 28.050 20.401 -1.013 1.00 15.22 H new