USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=22 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 -53:sc= -0.552 USER MOD Set 1.2: A 125 THR OG1 : rot 65:sc= 0.689 USER MOD Set 2.1: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 92 HIS : no HE2:sc= -7.41! C(o=-7.4!,f=-8.4!) USER MOD Set 3.1: A 67 CYS SG : rot -77:sc= -1.62! USER MOD Set 3.2: A 71 HIS : no HD1:sc= -6.98! C(o=-8.3!,f=-14!) USER MOD Set 3.3: A 90 SER OG : rot 148:sc= 0.463 USER MOD Set 3.4: A 94 THR OG1 : rot 180:sc= -0.173 USER MOD Set 4.1: A 89 ASN : amide:sc= -1.62 K(o=-4.8,f=-1.8) USER MOD Set 4.2: A 104 HIS : no HD1:sc= -3.2! C(o=-4.8!,f=-4.7!) USER MOD Set 5.1: A 77 HIS : no HD1:sc= -13.6! C(o=-17!,f=-12!) USER MOD Set 5.2: A 79 HIS : no HE2:sc= -3.24! C(o=-17!,f=-14!) USER MOD Single : A 18 THR OG1 : rot -38:sc= 0.218 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -3.75! K(o=-3.7!,f=-2.1) 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+ -152:sc= -1.36! (180deg=-2.71!) 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= -0.177 X(o=-0.18,f=-0.27) USER MOD Single : A 58 CYS SG : rot 132:sc= -4.62! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-4.5!) USER MOD Single : A 65 GLN : amide:sc=-0.00841 X(o=-0.0084,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 180:sc= -1.21 USER MOD Single : A 78 LYS NZ :NH3+ -140:sc= 0.872 (180deg=-1.77!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -2.2! K(o=-2.2!,f=-0.83) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -2.05 X(o=-2,f=-1.7) USER MOD Single : A 108 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.12) USER MOD Single : A 113 SER OG : rot 101:sc= -5.21! USER MOD Single : A 116 SER OG : rot 39:sc= 0.722 USER MOD Single : A 124 TYR OH : rot -15:sc= -1.34 USER MOD Single : A 129 LYS NZ :NH3+ 165:sc= -6.27! (180deg=-6.64!) USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 17 21.751 4.561 -19.407 1.00 10.23 N ATOM 215 CA PRO A 17 22.314 4.910 -20.700 1.00 71.20 C ATOM 216 C PRO A 17 23.767 4.443 -20.809 1.00 41.33 C ATOM 217 O PRO A 17 24.207 3.586 -20.045 1.00 34.21 O ATOM 218 CB PRO A 17 22.165 6.419 -20.800 1.00 4.11 C ATOM 219 CG PRO A 17 21.954 6.912 -19.378 1.00 14.13 C ATOM 220 CD PRO A 17 21.629 5.707 -18.510 1.00 51.02 C ATOM 0 HA PRO A 17 21.804 4.418 -21.528 1.00 71.20 H new ATOM 0 HB2 PRO A 17 23.053 6.871 -21.242 1.00 4.11 H new ATOM 0 HB3 PRO A 17 21.321 6.687 -21.436 1.00 4.11 H new ATOM 0 HG2 PRO A 17 22.849 7.416 -19.012 1.00 14.13 H new ATOM 0 HG3 PRO A 17 21.142 7.638 -19.342 1.00 14.13 H new ATOM 0 HD2 PRO A 17 22.318 5.627 -17.669 1.00 51.02 H new ATOM 0 HD3 PRO A 17 20.624 5.779 -18.093 1.00 51.02 H new ATOM 228 N THR A 18 24.473 5.029 -21.766 1.00 34.23 N ATOM 229 CA THR A 18 25.867 4.684 -21.985 1.00 1.12 C ATOM 230 C THR A 18 26.770 5.869 -21.636 1.00 23.43 C ATOM 231 O THR A 18 27.994 5.754 -21.677 1.00 63.12 O ATOM 232 CB THR A 18 26.016 4.213 -23.433 1.00 33.44 C ATOM 233 OG1 THR A 18 27.259 3.516 -23.445 1.00 34.20 O ATOM 234 CG2 THR A 18 26.229 5.373 -24.407 1.00 61.53 C ATOM 0 H THR A 18 24.105 5.740 -22.398 1.00 34.23 H new ATOM 0 HA THR A 18 26.181 3.871 -21.330 1.00 1.12 H new ATOM 0 HB THR A 18 25.128 3.652 -23.726 1.00 33.44 H new ATOM 0 HG1 THR A 18 27.903 3.986 -22.876 1.00 34.20 H new ATOM 0 HG21 THR A 18 26.329 4.984 -25.420 1.00 61.53 H new ATOM 0 HG22 THR A 18 25.375 6.049 -24.360 1.00 61.53 H new ATOM 0 HG23 THR A 18 27.135 5.914 -24.135 1.00 61.53 H new ATOM 242 N TRP A 19 26.132 6.980 -21.300 1.00 33.34 N ATOM 243 CA TRP A 19 26.862 8.184 -20.943 1.00 42.35 C ATOM 244 C TRP A 19 27.012 8.214 -19.421 1.00 63.51 C ATOM 245 O TRP A 19 27.659 9.106 -18.875 1.00 24.54 O ATOM 246 CB TRP A 19 26.170 9.430 -21.500 1.00 31.10 C ATOM 247 CG TRP A 19 24.644 9.330 -21.536 1.00 74.20 C ATOM 248 CD1 TRP A 19 23.875 8.775 -22.484 1.00 3.34 C ATOM 249 CD2 TRP A 19 23.726 9.823 -20.537 1.00 73.04 C ATOM 250 NE1 TRP A 19 22.535 8.875 -22.170 1.00 71.52 N ATOM 251 CE2 TRP A 19 22.441 9.532 -20.949 1.00 22.20 C ATOM 252 CE3 TRP A 19 23.973 10.493 -19.326 1.00 71.22 C ATOM 253 CZ2 TRP A 19 21.303 9.873 -20.209 1.00 0.23 C ATOM 254 CZ3 TRP A 19 22.825 10.827 -18.598 1.00 12.20 C ATOM 255 CH2 TRP A 19 21.525 10.541 -18.999 1.00 11.34 C ATOM 0 H TRP A 19 25.117 7.072 -21.267 1.00 33.34 H new ATOM 0 HA TRP A 19 27.856 8.178 -21.390 1.00 42.35 H new ATOM 0 HB2 TRP A 19 26.453 10.291 -20.895 1.00 31.10 H new ATOM 0 HB3 TRP A 19 26.536 9.615 -22.510 1.00 31.10 H new ATOM 0 HD1 TRP A 19 24.256 8.309 -23.380 1.00 3.34 H new ATOM 0 HE1 TRP A 19 21.756 8.530 -22.731 1.00 71.52 H new ATOM 0 HE3 TRP A 19 24.970 10.731 -18.984 1.00 71.22 H new ATOM 0 HZ2 TRP A 19 20.308 9.634 -20.553 1.00 0.23 H new ATOM 0 HZ3 TRP A 19 22.959 11.343 -17.659 1.00 12.20 H new ATOM 0 HH2 TRP A 19 20.690 10.833 -18.380 1.00 11.34 H new ATOM 266 N ALA A 20 26.404 7.227 -18.779 1.00 54.14 N ATOM 267 CA ALA A 20 26.461 7.129 -17.331 1.00 24.41 C ATOM 268 C ALA A 20 27.823 6.568 -16.916 1.00 61.52 C ATOM 269 O ALA A 20 28.380 5.711 -17.601 1.00 45.53 O ATOM 270 CB ALA A 20 25.299 6.268 -16.831 1.00 4.02 C ATOM 0 H ALA A 20 25.869 6.488 -19.236 1.00 54.14 H new ATOM 0 HA ALA A 20 26.357 8.114 -16.875 1.00 24.41 H new ATOM 0 HB1 ALA A 20 25.342 6.195 -15.744 1.00 4.02 H new ATOM 0 HB2 ALA A 20 24.354 6.724 -17.127 1.00 4.02 H new ATOM 0 HB3 ALA A 20 25.372 5.271 -17.265 1.00 4.02 H new ATOM 276 N GLY A 21 28.319 7.073 -15.796 1.00 63.24 N ATOM 277 CA GLY A 21 29.605 6.633 -15.282 1.00 62.22 C ATOM 278 C GLY A 21 29.521 6.326 -13.786 1.00 22.53 C ATOM 279 O GLY A 21 28.735 5.478 -13.366 1.00 22.24 O ATOM 0 H GLY A 21 27.854 7.783 -15.230 1.00 63.24 H new ATOM 0 HA2 GLY A 21 29.931 5.744 -15.822 1.00 62.22 H new ATOM 0 HA3 GLY A 21 30.354 7.405 -15.457 1.00 62.22 H new ATOM 283 N LYS A 22 30.342 7.032 -13.022 1.00 62.52 N ATOM 284 CA LYS A 22 30.371 6.845 -11.582 1.00 33.25 C ATOM 285 C LYS A 22 30.622 8.192 -10.902 1.00 3.31 C ATOM 286 O LYS A 22 31.658 8.819 -11.121 1.00 71.44 O ATOM 287 CB LYS A 22 31.386 5.765 -11.201 1.00 51.11 C ATOM 288 CG LYS A 22 31.925 5.993 -9.788 1.00 3.44 C ATOM 289 CD LYS A 22 33.259 6.743 -9.824 1.00 33.31 C ATOM 290 CE LYS A 22 34.436 5.766 -9.840 1.00 22.02 C ATOM 291 NZ LYS A 22 35.673 6.438 -9.382 1.00 31.44 N ATOM 0 H LYS A 22 30.992 7.735 -13.374 1.00 62.52 H new ATOM 0 HA LYS A 22 29.407 6.482 -11.226 1.00 33.25 H new ATOM 0 HB2 LYS A 22 30.917 4.783 -11.261 1.00 51.11 H new ATOM 0 HB3 LYS A 22 32.211 5.769 -11.914 1.00 51.11 H new ATOM 0 HG2 LYS A 22 31.200 6.561 -9.206 1.00 3.44 H new ATOM 0 HG3 LYS A 22 32.056 5.034 -9.286 1.00 3.44 H new ATOM 0 HD2 LYS A 22 33.298 7.380 -10.707 1.00 33.31 H new ATOM 0 HD3 LYS A 22 33.336 7.397 -8.956 1.00 33.31 H new ATOM 0 HE2 LYS A 22 34.218 4.914 -9.196 1.00 22.02 H new ATOM 0 HE3 LYS A 22 34.579 5.376 -10.848 1.00 22.02 H new ATOM 0 HZ1 LYS A 22 36.462 5.761 -9.399 1.00 31.44 H new ATOM 0 HZ2 LYS A 22 35.888 7.237 -10.013 1.00 31.44 H new ATOM 0 HZ3 LYS A 22 35.539 6.789 -8.412 1.00 31.44 H new ATOM 304 N PRO A 23 29.632 8.610 -10.069 1.00 33.43 N ATOM 305 CA PRO A 23 29.736 9.871 -9.356 1.00 15.34 C ATOM 306 C PRO A 23 30.719 9.762 -8.188 1.00 53.13 C ATOM 307 O PRO A 23 30.813 8.717 -7.547 1.00 34.03 O ATOM 308 CB PRO A 23 28.318 10.189 -8.910 1.00 55.21 C ATOM 309 CG PRO A 23 27.554 8.877 -8.983 1.00 54.11 C ATOM 310 CD PRO A 23 28.391 7.894 -9.784 1.00 42.15 C ATOM 0 HA PRO A 23 30.134 10.673 -9.977 1.00 15.34 H new ATOM 0 HB2 PRO A 23 28.308 10.591 -7.897 1.00 55.21 H new ATOM 0 HB3 PRO A 23 27.865 10.941 -9.556 1.00 55.21 H new ATOM 0 HG2 PRO A 23 27.364 8.490 -7.982 1.00 54.11 H new ATOM 0 HG3 PRO A 23 26.584 9.026 -9.456 1.00 54.11 H new ATOM 0 HD2 PRO A 23 28.581 6.982 -9.218 1.00 42.15 H new ATOM 0 HD3 PRO A 23 27.884 7.599 -10.703 1.00 42.15 H new ATOM 318 N PRO A 24 31.445 10.885 -7.942 1.00 3.10 N ATOM 319 CA PRO A 24 32.418 10.926 -6.863 1.00 72.42 C ATOM 320 C PRO A 24 31.724 11.034 -5.504 1.00 3.24 C ATOM 321 O PRO A 24 30.559 11.421 -5.426 1.00 44.30 O ATOM 322 CB PRO A 24 33.303 12.121 -7.176 1.00 13.21 C ATOM 323 CG PRO A 24 32.516 12.977 -8.155 1.00 41.13 C ATOM 324 CD PRO A 24 31.361 12.141 -8.681 1.00 54.32 C ATOM 0 HA PRO A 24 33.012 10.015 -6.797 1.00 72.42 H new ATOM 0 HB2 PRO A 24 33.539 12.680 -6.271 1.00 13.21 H new ATOM 0 HB3 PRO A 24 34.251 11.802 -7.610 1.00 13.21 H new ATOM 0 HG2 PRO A 24 32.144 13.876 -7.663 1.00 41.13 H new ATOM 0 HG3 PRO A 24 33.155 13.304 -8.975 1.00 41.13 H new ATOM 0 HD2 PRO A 24 30.405 12.636 -8.512 1.00 54.32 H new ATOM 0 HD3 PRO A 24 31.449 11.975 -9.755 1.00 54.32 H new ATOM 332 N PRO A 25 32.490 10.677 -4.438 1.00 33.51 N ATOM 333 CA PRO A 25 31.961 10.730 -3.085 1.00 44.24 C ATOM 334 C PRO A 25 31.879 12.174 -2.586 1.00 21.03 C ATOM 335 O PRO A 25 32.633 12.571 -1.698 1.00 55.44 O ATOM 336 CB PRO A 25 32.904 9.869 -2.261 1.00 32.15 C ATOM 337 CG PRO A 25 34.179 9.745 -3.079 1.00 32.33 C ATOM 338 CD PRO A 25 33.873 10.213 -4.492 1.00 2.31 C ATOM 0 HA PRO A 25 30.939 10.356 -3.017 1.00 44.24 H new ATOM 0 HB2 PRO A 25 33.105 10.327 -1.292 1.00 32.15 H new ATOM 0 HB3 PRO A 25 32.468 8.889 -2.066 1.00 32.15 H new ATOM 0 HG2 PRO A 25 34.974 10.348 -2.641 1.00 32.33 H new ATOM 0 HG3 PRO A 25 34.529 8.713 -3.086 1.00 32.33 H new ATOM 0 HD2 PRO A 25 34.547 11.013 -4.799 1.00 2.31 H new ATOM 0 HD3 PRO A 25 33.991 9.403 -5.212 1.00 2.31 H new ATOM 346 N GLY A 26 30.957 12.919 -3.177 1.00 41.41 N ATOM 347 CA GLY A 26 30.766 14.310 -2.803 1.00 3.41 C ATOM 348 C GLY A 26 29.508 14.886 -3.455 1.00 75.10 C ATOM 349 O GLY A 26 29.448 16.078 -3.753 1.00 61.21 O ATOM 0 H GLY A 26 30.334 12.586 -3.912 1.00 41.41 H new ATOM 0 HA2 GLY A 26 30.688 14.391 -1.719 1.00 3.41 H new ATOM 0 HA3 GLY A 26 31.636 14.894 -3.104 1.00 3.41 H new ATOM 353 N LEU A 27 28.532 14.012 -3.657 1.00 43.24 N ATOM 354 CA LEU A 27 27.278 14.419 -4.269 1.00 23.43 C ATOM 355 C LEU A 27 26.114 13.945 -3.397 1.00 32.32 C ATOM 356 O LEU A 27 26.274 13.041 -2.578 1.00 24.00 O ATOM 357 CB LEU A 27 27.203 13.927 -5.715 1.00 63.45 C ATOM 358 CG LEU A 27 28.369 14.329 -6.622 1.00 34.41 C ATOM 359 CD1 LEU A 27 28.281 13.619 -7.974 1.00 64.33 C ATOM 360 CD2 LEU A 27 28.444 15.849 -6.776 1.00 72.04 C ATOM 0 H LEU A 27 28.584 13.024 -3.408 1.00 43.24 H new ATOM 0 HA LEU A 27 27.215 15.506 -4.323 1.00 23.43 H new ATOM 0 HB2 LEU A 27 27.135 12.839 -5.705 1.00 63.45 H new ATOM 0 HB3 LEU A 27 26.279 14.300 -6.157 1.00 63.45 H new ATOM 0 HG LEU A 27 29.297 14.007 -6.149 1.00 34.41 H new ATOM 0 HD11 LEU A 27 29.121 13.922 -8.599 1.00 64.33 H new ATOM 0 HD12 LEU A 27 28.313 12.540 -7.821 1.00 64.33 H new ATOM 0 HD13 LEU A 27 27.346 13.888 -8.466 1.00 64.33 H new ATOM 0 HD21 LEU A 27 29.281 16.108 -7.425 1.00 72.04 H new ATOM 0 HD22 LEU A 27 27.517 16.216 -7.215 1.00 72.04 H new ATOM 0 HD23 LEU A 27 28.588 16.307 -5.798 1.00 72.04 H new ATOM 372 N HIS A 28 24.967 14.576 -3.602 1.00 43.13 N ATOM 373 CA HIS A 28 23.776 14.230 -2.845 1.00 43.42 C ATOM 374 C HIS A 28 22.585 15.038 -3.365 1.00 4.32 C ATOM 375 O HIS A 28 22.741 16.189 -3.769 1.00 55.52 O ATOM 376 CB HIS A 28 24.012 14.420 -1.345 1.00 60.54 C ATOM 377 CG HIS A 28 24.069 15.864 -0.910 1.00 42.52 C ATOM 378 ND1 HIS A 28 25.092 16.720 -1.283 1.00 34.35 N ATOM 379 CD2 HIS A 28 23.220 16.595 -0.132 1.00 1.11 C ATOM 380 CE1 HIS A 28 24.859 17.908 -0.746 1.00 53.51 C ATOM 381 NE2 HIS A 28 23.699 17.829 -0.033 1.00 13.11 N ATOM 0 H HIS A 28 24.837 15.325 -4.282 1.00 43.13 H new ATOM 0 HA HIS A 28 23.544 13.174 -2.987 1.00 43.42 H new ATOM 0 HB2 HIS A 28 23.216 13.917 -0.796 1.00 60.54 H new ATOM 0 HB3 HIS A 28 24.947 13.931 -1.070 1.00 60.54 H new ATOM 0 HD2 HIS A 28 22.312 16.231 0.326 1.00 1.11 H new ATOM 0 HE1 HIS A 28 25.479 18.786 -0.854 1.00 53.51 H new ATOM 0 HE2 HIS A 28 23.270 18.592 0.490 1.00 13.11 H new ATOM 389 N LEU A 29 21.423 14.403 -3.337 1.00 21.12 N ATOM 390 CA LEU A 29 20.206 15.048 -3.800 1.00 2.01 C ATOM 391 C LEU A 29 19.540 15.771 -2.628 1.00 35.12 C ATOM 392 O LEU A 29 20.070 15.783 -1.518 1.00 64.23 O ATOM 393 CB LEU A 29 19.295 14.036 -4.497 1.00 31.43 C ATOM 394 CG LEU A 29 19.241 14.121 -6.023 1.00 53.33 C ATOM 395 CD1 LEU A 29 18.154 13.203 -6.586 1.00 12.32 C ATOM 396 CD2 LEU A 29 19.064 15.569 -6.485 1.00 52.13 C ATOM 0 H LEU A 29 21.298 13.448 -3.001 1.00 21.12 H new ATOM 0 HA LEU A 29 20.437 15.803 -4.551 1.00 2.01 H new ATOM 0 HB2 LEU A 29 19.621 13.033 -4.220 1.00 31.43 H new ATOM 0 HB3 LEU A 29 18.284 14.161 -4.110 1.00 31.43 H new ATOM 0 HG LEU A 29 20.194 13.770 -6.418 1.00 53.33 H new ATOM 0 HD11 LEU A 29 18.137 13.283 -7.673 1.00 12.32 H new ATOM 0 HD12 LEU A 29 18.365 12.172 -6.301 1.00 12.32 H new ATOM 0 HD13 LEU A 29 17.184 13.499 -6.186 1.00 12.32 H new ATOM 0 HD21 LEU A 29 19.029 15.602 -7.574 1.00 52.13 H new ATOM 0 HD22 LEU A 29 18.135 15.969 -6.080 1.00 52.13 H new ATOM 0 HD23 LEU A 29 19.902 16.169 -6.131 1.00 52.13 H new ATOM 408 N ASP A 30 18.386 16.356 -2.914 1.00 51.21 N ATOM 409 CA ASP A 30 17.641 17.080 -1.898 1.00 21.45 C ATOM 410 C ASP A 30 16.214 17.322 -2.393 1.00 31.33 C ATOM 411 O ASP A 30 15.926 17.148 -3.576 1.00 35.43 O ATOM 412 CB ASP A 30 18.279 18.440 -1.611 1.00 3.20 C ATOM 413 CG ASP A 30 19.800 18.418 -1.440 1.00 15.23 C ATOM 414 OD1 ASP A 30 20.318 18.558 -0.322 1.00 64.41 O ATOM 415 OD2 ASP A 30 20.468 18.247 -2.529 1.00 45.14 O ATOM 0 H ASP A 30 17.949 16.343 -3.835 1.00 51.21 H new ATOM 0 HA ASP A 30 17.644 16.481 -0.987 1.00 21.45 H new ATOM 0 HB2 ASP A 30 18.030 19.120 -2.425 1.00 3.20 H new ATOM 0 HB3 ASP A 30 17.833 18.850 -0.705 1.00 3.20 H new ATOM 421 N VAL A 31 15.358 17.719 -1.462 1.00 44.55 N ATOM 422 CA VAL A 31 13.968 17.987 -1.789 1.00 42.35 C ATOM 423 C VAL A 31 13.519 19.267 -1.081 1.00 24.34 C ATOM 424 O VAL A 31 13.979 19.564 0.021 1.00 41.32 O ATOM 425 CB VAL A 31 13.105 16.774 -1.437 1.00 53.33 C ATOM 426 CG1 VAL A 31 11.627 17.052 -1.720 1.00 41.51 C ATOM 427 CG2 VAL A 31 13.581 15.527 -2.184 1.00 72.15 C ATOM 0 H VAL A 31 15.601 17.861 -0.482 1.00 44.55 H new ATOM 0 HA VAL A 31 13.852 18.151 -2.860 1.00 42.35 H new ATOM 0 HB VAL A 31 13.212 16.586 -0.369 1.00 53.33 H new ATOM 0 HG11 VAL A 31 11.036 16.174 -1.461 1.00 41.51 H new ATOM 0 HG12 VAL A 31 11.296 17.902 -1.123 1.00 41.51 H new ATOM 0 HG13 VAL A 31 11.496 17.279 -2.778 1.00 41.51 H new ATOM 0 HG21 VAL A 31 12.951 14.679 -1.916 1.00 72.15 H new ATOM 0 HG22 VAL A 31 13.518 15.700 -3.258 1.00 72.15 H new ATOM 0 HG23 VAL A 31 14.614 15.312 -1.911 1.00 72.15 H new ATOM 437 N VAL A 32 12.627 19.989 -1.741 1.00 53.23 N ATOM 438 CA VAL A 32 12.111 21.230 -1.188 1.00 74.22 C ATOM 439 C VAL A 32 10.634 21.374 -1.562 1.00 0.32 C ATOM 440 O VAL A 32 10.265 21.207 -2.723 1.00 54.51 O ATOM 441 CB VAL A 32 12.965 22.408 -1.660 1.00 12.41 C ATOM 442 CG1 VAL A 32 12.881 23.575 -0.674 1.00 51.42 C ATOM 443 CG2 VAL A 32 14.417 21.980 -1.880 1.00 71.40 C ATOM 0 H VAL A 32 12.248 19.739 -2.654 1.00 53.23 H new ATOM 0 HA VAL A 32 12.171 21.218 -0.100 1.00 74.22 H new ATOM 0 HB VAL A 32 12.568 22.748 -2.617 1.00 12.41 H new ATOM 0 HG11 VAL A 32 13.497 24.400 -1.033 1.00 51.42 H new ATOM 0 HG12 VAL A 32 11.846 23.906 -0.589 1.00 51.42 H new ATOM 0 HG13 VAL A 32 13.240 23.252 0.303 1.00 51.42 H new ATOM 0 HG21 VAL A 32 15.002 22.836 -2.215 1.00 71.40 H new ATOM 0 HG22 VAL A 32 14.830 21.602 -0.945 1.00 71.40 H new ATOM 0 HG23 VAL A 32 14.455 21.196 -2.637 1.00 71.40 H new ATOM 453 N LYS A 33 9.830 21.683 -0.555 1.00 55.14 N ATOM 454 CA LYS A 33 8.401 21.852 -0.764 1.00 24.14 C ATOM 455 C LYS A 33 8.149 23.179 -1.482 1.00 74.33 C ATOM 456 O LYS A 33 7.064 23.402 -2.018 1.00 61.43 O ATOM 457 CB LYS A 33 7.647 21.716 0.561 1.00 42.53 C ATOM 458 CG LYS A 33 8.051 22.823 1.537 1.00 20.24 C ATOM 459 CD LYS A 33 7.094 24.013 1.444 1.00 61.11 C ATOM 460 CE LYS A 33 5.797 23.735 2.206 1.00 22.25 C ATOM 461 NZ LYS A 33 4.992 24.971 2.328 1.00 24.14 N ATOM 0 H LYS A 33 10.140 21.821 0.407 1.00 55.14 H new ATOM 0 HA LYS A 33 8.013 21.062 -1.408 1.00 24.14 H new ATOM 0 HB2 LYS A 33 6.573 21.761 0.379 1.00 42.53 H new ATOM 0 HB3 LYS A 33 7.855 20.742 1.004 1.00 42.53 H new ATOM 0 HG2 LYS A 33 8.053 22.432 2.555 1.00 20.24 H new ATOM 0 HG3 LYS A 33 9.067 23.151 1.319 1.00 20.24 H new ATOM 0 HD2 LYS A 33 7.575 24.903 1.850 1.00 61.11 H new ATOM 0 HD3 LYS A 33 6.868 24.221 0.398 1.00 61.11 H new ATOM 0 HE2 LYS A 33 5.221 22.969 1.688 1.00 22.25 H new ATOM 0 HE3 LYS A 33 6.027 23.345 3.197 1.00 22.25 H new ATOM 0 HZ1 LYS A 33 4.115 24.764 2.848 1.00 24.14 H new ATOM 0 HZ2 LYS A 33 5.538 25.691 2.842 1.00 24.14 H new ATOM 0 HZ3 LYS A 33 4.756 25.327 1.380 1.00 24.14 H new ATOM 474 N GLY A 34 9.168 24.025 -1.470 1.00 52.14 N ATOM 475 CA GLY A 34 9.070 25.324 -2.115 1.00 33.15 C ATOM 476 C GLY A 34 10.182 26.259 -1.635 1.00 71.04 C ATOM 477 O GLY A 34 10.987 26.732 -2.435 1.00 44.44 O ATOM 0 H GLY A 34 10.066 23.837 -1.024 1.00 52.14 H new ATOM 0 HA2 GLY A 34 9.133 25.203 -3.196 1.00 33.15 H new ATOM 0 HA3 GLY A 34 8.098 25.768 -1.900 1.00 33.15 H new ATOM 481 N ASP A 35 10.190 26.497 -0.332 1.00 45.11 N ATOM 482 CA ASP A 35 11.191 27.367 0.263 1.00 15.12 C ATOM 483 C ASP A 35 11.692 26.743 1.567 1.00 10.21 C ATOM 484 O ASP A 35 12.245 27.437 2.419 1.00 63.01 O ATOM 485 CB ASP A 35 10.601 28.740 0.592 1.00 33.12 C ATOM 486 CG ASP A 35 9.597 29.275 -0.432 1.00 23.24 C ATOM 487 OD1 ASP A 35 9.969 29.658 -1.551 1.00 25.33 O ATOM 488 OD2 ASP A 35 8.370 29.290 -0.035 1.00 72.23 O ATOM 0 H ASP A 35 9.520 26.103 0.328 1.00 45.11 H new ATOM 0 HA ASP A 35 12.004 27.486 -0.453 1.00 15.12 H new ATOM 0 HB2 ASP A 35 10.111 28.685 1.564 1.00 33.12 H new ATOM 0 HB3 ASP A 35 11.417 29.456 0.687 1.00 33.12 H new ATOM 494 N LYS A 36 11.480 25.440 1.682 1.00 3.41 N ATOM 495 CA LYS A 36 11.904 24.715 2.868 1.00 51.12 C ATOM 496 C LYS A 36 12.394 23.324 2.461 1.00 30.24 C ATOM 497 O LYS A 36 11.700 22.601 1.748 1.00 40.32 O ATOM 498 CB LYS A 36 10.784 24.693 3.910 1.00 25.55 C ATOM 499 CG LYS A 36 10.893 23.456 4.805 1.00 5.23 C ATOM 500 CD LYS A 36 9.958 23.567 6.011 1.00 55.45 C ATOM 501 CE LYS A 36 8.637 22.841 5.748 1.00 71.11 C ATOM 502 NZ LYS A 36 7.914 22.605 7.018 1.00 52.14 N ATOM 0 H LYS A 36 11.020 24.868 0.974 1.00 3.41 H new ATOM 0 HA LYS A 36 12.743 25.221 3.346 1.00 51.12 H new ATOM 0 HB2 LYS A 36 10.833 25.594 4.521 1.00 25.55 H new ATOM 0 HB3 LYS A 36 9.816 24.700 3.409 1.00 25.55 H new ATOM 0 HG2 LYS A 36 10.646 22.564 4.230 1.00 5.23 H new ATOM 0 HG3 LYS A 36 11.921 23.340 5.147 1.00 5.23 H new ATOM 0 HD2 LYS A 36 10.441 23.143 6.891 1.00 55.45 H new ATOM 0 HD3 LYS A 36 9.763 24.617 6.229 1.00 55.45 H new ATOM 0 HE2 LYS A 36 8.017 23.433 5.075 1.00 71.11 H new ATOM 0 HE3 LYS A 36 8.830 21.891 5.250 1.00 71.11 H new ATOM 0 HZ1 LYS A 36 7.020 22.111 6.822 1.00 52.14 H new ATOM 0 HZ2 LYS A 36 8.501 22.021 7.648 1.00 52.14 H new ATOM 0 HZ3 LYS A 36 7.713 23.516 7.478 1.00 52.14 H new ATOM 515 N LEU A 37 13.586 22.990 2.933 1.00 2.24 N ATOM 516 CA LEU A 37 14.177 21.698 2.628 1.00 2.31 C ATOM 517 C LEU A 37 13.373 20.597 3.322 1.00 14.51 C ATOM 518 O LEU A 37 13.277 20.573 4.548 1.00 21.41 O ATOM 519 CB LEU A 37 15.665 21.692 2.986 1.00 33.41 C ATOM 520 CG LEU A 37 16.481 20.518 2.440 1.00 13.12 C ATOM 521 CD1 LEU A 37 15.908 19.183 2.919 1.00 25.41 C ATOM 522 CD2 LEU A 37 16.583 20.584 0.915 1.00 70.00 C ATOM 0 H LEU A 37 14.159 23.592 3.525 1.00 2.24 H new ATOM 0 HA LEU A 37 14.129 21.501 1.557 1.00 2.31 H new ATOM 0 HB2 LEU A 37 16.110 22.618 2.622 1.00 33.41 H new ATOM 0 HB3 LEU A 37 15.757 21.699 4.072 1.00 33.41 H new ATOM 0 HG LEU A 37 17.495 20.593 2.834 1.00 13.12 H new ATOM 0 HD11 LEU A 37 16.506 18.365 2.517 1.00 25.41 H new ATOM 0 HD12 LEU A 37 15.930 19.147 4.008 1.00 25.41 H new ATOM 0 HD13 LEU A 37 14.879 19.084 2.574 1.00 25.41 H new ATOM 0 HD21 LEU A 37 17.168 19.739 0.553 1.00 70.00 H new ATOM 0 HD22 LEU A 37 15.584 20.546 0.482 1.00 70.00 H new ATOM 0 HD23 LEU A 37 17.070 21.514 0.623 1.00 70.00 H new ATOM 534 N ILE A 38 12.814 19.714 2.508 1.00 65.12 N ATOM 535 CA ILE A 38 12.021 18.613 3.028 1.00 2.31 C ATOM 536 C ILE A 38 12.955 17.516 3.543 1.00 10.11 C ATOM 537 O ILE A 38 13.131 17.362 4.751 1.00 43.43 O ATOM 538 CB ILE A 38 11.023 18.127 1.975 1.00 44.31 C ATOM 539 CG1 ILE A 38 10.081 19.255 1.551 1.00 53.40 C ATOM 540 CG2 ILE A 38 10.259 16.897 2.470 1.00 44.42 C ATOM 541 CD1 ILE A 38 9.163 19.666 2.704 1.00 30.44 C ATOM 0 H ILE A 38 12.895 19.739 1.491 1.00 65.12 H new ATOM 0 HA ILE A 38 11.420 18.944 3.875 1.00 2.31 H new ATOM 0 HB ILE A 38 11.581 17.824 1.089 1.00 44.31 H new ATOM 0 HG12 ILE A 38 10.663 20.115 1.221 1.00 53.40 H new ATOM 0 HG13 ILE A 38 9.480 18.932 0.701 1.00 53.40 H new ATOM 0 HG21 ILE A 38 9.556 16.572 1.703 1.00 44.42 H new ATOM 0 HG22 ILE A 38 10.963 16.092 2.682 1.00 44.42 H new ATOM 0 HG23 ILE A 38 9.713 17.149 3.379 1.00 44.42 H new ATOM 0 HD11 ILE A 38 8.504 20.469 2.376 1.00 30.44 H new ATOM 0 HD12 ILE A 38 8.564 18.810 3.015 1.00 30.44 H new ATOM 0 HD13 ILE A 38 9.766 20.012 3.544 1.00 30.44 H new ATOM 553 N GLU A 39 13.529 16.781 2.601 1.00 14.55 N ATOM 554 CA GLU A 39 14.440 15.703 2.945 1.00 51.10 C ATOM 555 C GLU A 39 15.727 15.815 2.126 1.00 63.23 C ATOM 556 O GLU A 39 15.905 16.769 1.370 1.00 63.43 O ATOM 557 CB GLU A 39 13.777 14.339 2.741 1.00 0.33 C ATOM 558 CG GLU A 39 13.749 13.959 1.260 1.00 64.15 C ATOM 559 CD GLU A 39 12.941 12.679 1.037 1.00 21.01 C ATOM 560 OE1 GLU A 39 12.128 12.303 1.894 1.00 31.51 O ATOM 561 OE2 GLU A 39 13.181 12.069 -0.074 1.00 22.32 O ATOM 0 H GLU A 39 13.381 16.911 1.600 1.00 14.55 H new ATOM 0 HA GLU A 39 14.695 15.792 4.001 1.00 51.10 H new ATOM 0 HB2 GLU A 39 14.319 13.579 3.305 1.00 0.33 H new ATOM 0 HB3 GLU A 39 12.760 14.363 3.133 1.00 0.33 H new ATOM 0 HG2 GLU A 39 13.314 14.773 0.680 1.00 64.15 H new ATOM 0 HG3 GLU A 39 14.767 13.818 0.898 1.00 64.15 H new ATOM 569 N LYS A 40 16.592 14.827 2.304 1.00 72.22 N ATOM 570 CA LYS A 40 17.857 14.802 1.590 1.00 5.25 C ATOM 571 C LYS A 40 18.150 13.373 1.128 1.00 12.23 C ATOM 572 O LYS A 40 17.773 12.412 1.796 1.00 32.43 O ATOM 573 CB LYS A 40 18.968 15.410 2.449 1.00 3.21 C ATOM 574 CG LYS A 40 20.000 16.132 1.580 1.00 11.50 C ATOM 575 CD LYS A 40 21.169 16.641 2.426 1.00 41.45 C ATOM 576 CE LYS A 40 20.673 17.238 3.744 1.00 23.23 C ATOM 577 NZ LYS A 40 21.811 17.738 4.547 1.00 5.12 N ATOM 0 H LYS A 40 16.441 14.038 2.933 1.00 72.22 H new ATOM 0 HA LYS A 40 17.801 15.421 0.695 1.00 5.25 H new ATOM 0 HB2 LYS A 40 18.537 16.110 3.165 1.00 3.21 H new ATOM 0 HB3 LYS A 40 19.458 14.625 3.025 1.00 3.21 H new ATOM 0 HG2 LYS A 40 20.371 15.454 0.811 1.00 11.50 H new ATOM 0 HG3 LYS A 40 19.527 16.969 1.066 1.00 11.50 H new ATOM 0 HD2 LYS A 40 21.858 15.822 2.630 1.00 41.45 H new ATOM 0 HD3 LYS A 40 21.725 17.394 1.868 1.00 41.45 H new ATOM 0 HE2 LYS A 40 19.977 18.052 3.542 1.00 23.23 H new ATOM 0 HE3 LYS A 40 20.125 16.483 4.309 1.00 23.23 H new ATOM 0 HZ1 LYS A 40 21.457 18.140 5.438 1.00 5.12 H new ATOM 0 HZ2 LYS A 40 22.460 16.953 4.755 1.00 5.12 H new ATOM 0 HZ3 LYS A 40 22.317 18.473 4.013 1.00 5.12 H new ATOM 590 N LEU A 41 18.819 13.279 -0.011 1.00 41.22 N ATOM 591 CA LEU A 41 19.166 11.984 -0.571 1.00 23.25 C ATOM 592 C LEU A 41 20.604 12.027 -1.093 1.00 13.33 C ATOM 593 O LEU A 41 21.194 13.100 -1.208 1.00 0.44 O ATOM 594 CB LEU A 41 18.141 11.564 -1.626 1.00 21.54 C ATOM 595 CG LEU A 41 16.691 11.968 -1.351 1.00 23.45 C ATOM 596 CD1 LEU A 41 15.897 12.080 -2.653 1.00 51.42 C ATOM 597 CD2 LEU A 41 16.033 11.006 -0.359 1.00 52.21 C ATOM 0 H LEU A 41 19.130 14.079 -0.562 1.00 41.22 H new ATOM 0 HA LEU A 41 19.129 11.214 0.200 1.00 23.25 H new ATOM 0 HB2 LEU A 41 18.440 11.989 -2.584 1.00 21.54 H new ATOM 0 HB3 LEU A 41 18.181 10.480 -1.732 1.00 21.54 H new ATOM 0 HG LEU A 41 16.693 12.955 -0.889 1.00 23.45 H new ATOM 0 HD11 LEU A 41 14.870 12.368 -2.429 1.00 51.42 H new ATOM 0 HD12 LEU A 41 16.354 12.834 -3.294 1.00 51.42 H new ATOM 0 HD13 LEU A 41 15.900 11.118 -3.165 1.00 51.42 H new ATOM 0 HD21 LEU A 41 15.003 11.315 -0.181 1.00 52.21 H new ATOM 0 HD22 LEU A 41 16.043 9.997 -0.770 1.00 52.21 H new ATOM 0 HD23 LEU A 41 16.584 11.020 0.581 1.00 52.21 H new ATOM 609 N ILE A 42 21.126 10.848 -1.395 1.00 74.32 N ATOM 610 CA ILE A 42 22.483 10.738 -1.902 1.00 73.55 C ATOM 611 C ILE A 42 22.439 10.385 -3.391 1.00 22.24 C ATOM 612 O ILE A 42 21.498 9.742 -3.853 1.00 31.45 O ATOM 613 CB ILE A 42 23.291 9.749 -1.060 1.00 2.34 C ATOM 614 CG1 ILE A 42 23.638 10.348 0.305 1.00 1.11 C ATOM 615 CG2 ILE A 42 24.537 9.278 -1.812 1.00 62.02 C ATOM 616 CD1 ILE A 42 22.380 10.837 1.025 1.00 33.32 C ATOM 0 H ILE A 42 20.634 9.960 -1.298 1.00 74.32 H new ATOM 0 HA ILE A 42 23.001 11.693 -1.815 1.00 73.55 H new ATOM 0 HB ILE A 42 22.673 8.870 -0.879 1.00 2.34 H new ATOM 0 HG12 ILE A 42 24.144 9.600 0.916 1.00 1.11 H new ATOM 0 HG13 ILE A 42 24.333 11.178 0.176 1.00 1.11 H new ATOM 0 HG21 ILE A 42 25.093 8.576 -1.191 1.00 62.02 H new ATOM 0 HG22 ILE A 42 24.239 8.786 -2.738 1.00 62.02 H new ATOM 0 HG23 ILE A 42 25.168 10.136 -2.044 1.00 62.02 H new ATOM 0 HD11 ILE A 42 22.655 11.258 1.992 1.00 33.32 H new ATOM 0 HD12 ILE A 42 21.890 11.602 0.422 1.00 33.32 H new ATOM 0 HD13 ILE A 42 21.698 10.000 1.174 1.00 33.32 H new ATOM 628 N ILE A 43 23.470 10.821 -4.100 1.00 14.31 N ATOM 629 CA ILE A 43 23.561 10.560 -5.526 1.00 71.33 C ATOM 630 C ILE A 43 25.012 10.240 -5.890 1.00 3.01 C ATOM 631 O ILE A 43 25.379 10.253 -7.064 1.00 21.21 O ATOM 632 CB ILE A 43 22.969 11.724 -6.323 1.00 64.05 C ATOM 633 CG1 ILE A 43 23.543 13.061 -5.849 1.00 63.24 C ATOM 634 CG2 ILE A 43 21.440 11.705 -6.269 1.00 24.01 C ATOM 635 CD1 ILE A 43 24.060 13.885 -7.030 1.00 54.42 C ATOM 0 H ILE A 43 24.249 11.353 -3.713 1.00 14.31 H new ATOM 0 HA ILE A 43 22.965 9.687 -5.792 1.00 71.33 H new ATOM 0 HB ILE A 43 23.255 11.603 -7.368 1.00 64.05 H new ATOM 0 HG12 ILE A 43 22.775 13.623 -5.318 1.00 63.24 H new ATOM 0 HG13 ILE A 43 24.354 12.883 -5.143 1.00 63.24 H new ATOM 0 HG21 ILE A 43 21.045 12.543 -6.844 1.00 24.01 H new ATOM 0 HG22 ILE A 43 21.073 10.770 -6.692 1.00 24.01 H new ATOM 0 HG23 ILE A 43 21.111 11.789 -5.233 1.00 24.01 H new ATOM 0 HD11 ILE A 43 24.463 14.830 -6.666 1.00 54.42 H new ATOM 0 HD12 ILE A 43 24.845 13.331 -7.545 1.00 54.42 H new ATOM 0 HD13 ILE A 43 23.241 14.082 -7.722 1.00 54.42 H new ATOM 647 N ASP A 44 25.799 9.961 -4.861 1.00 33.31 N ATOM 648 CA ASP A 44 27.202 9.638 -5.057 1.00 51.13 C ATOM 649 C ASP A 44 27.439 8.171 -4.694 1.00 61.13 C ATOM 650 O ASP A 44 28.355 7.856 -3.936 1.00 72.51 O ATOM 651 CB ASP A 44 28.095 10.497 -4.161 1.00 2.45 C ATOM 652 CG ASP A 44 27.753 10.450 -2.670 1.00 74.51 C ATOM 653 OD1 ASP A 44 27.940 11.434 -1.940 1.00 13.11 O ATOM 654 OD2 ASP A 44 27.268 9.327 -2.258 1.00 55.51 O ATOM 0 H ASP A 44 25.491 9.952 -3.889 1.00 33.31 H new ATOM 0 HA ASP A 44 27.449 9.829 -6.101 1.00 51.13 H new ATOM 0 HB2 ASP A 44 29.129 10.178 -4.291 1.00 2.45 H new ATOM 0 HB3 ASP A 44 28.036 11.531 -4.499 1.00 2.45 H new ATOM 660 N GLU A 45 26.598 7.313 -5.253 1.00 20.13 N ATOM 661 CA GLU A 45 26.705 5.886 -4.997 1.00 54.43 C ATOM 662 C GLU A 45 26.542 5.100 -6.300 1.00 14.42 C ATOM 663 O GLU A 45 27.316 4.186 -6.578 1.00 35.42 O ATOM 664 CB GLU A 45 25.679 5.438 -3.954 1.00 41.03 C ATOM 665 CG GLU A 45 25.632 6.414 -2.777 1.00 21.33 C ATOM 666 CD GLU A 45 26.736 6.104 -1.764 1.00 3.13 C ATOM 667 OE1 GLU A 45 27.799 5.590 -2.143 1.00 43.50 O ATOM 668 OE2 GLU A 45 26.460 6.417 -0.543 1.00 50.32 O ATOM 0 H GLU A 45 25.840 7.578 -5.882 1.00 20.13 H new ATOM 0 HA GLU A 45 27.697 5.682 -4.594 1.00 54.43 H new ATOM 0 HB2 GLU A 45 24.693 5.370 -4.414 1.00 41.03 H new ATOM 0 HB3 GLU A 45 25.932 4.441 -3.594 1.00 41.03 H new ATOM 0 HG2 GLU A 45 25.744 7.435 -3.142 1.00 21.33 H new ATOM 0 HG3 GLU A 45 24.659 6.355 -2.289 1.00 21.33 H new ATOM 676 N LYS A 46 25.530 5.486 -7.063 1.00 72.44 N ATOM 677 CA LYS A 46 25.255 4.828 -8.330 1.00 4.21 C ATOM 678 C LYS A 46 25.426 5.835 -9.470 1.00 23.35 C ATOM 679 O LYS A 46 25.861 6.964 -9.246 1.00 33.54 O ATOM 680 CB LYS A 46 23.879 4.161 -8.300 1.00 70.10 C ATOM 681 CG LYS A 46 22.846 5.065 -7.624 1.00 71.05 C ATOM 682 CD LYS A 46 22.608 6.334 -8.445 1.00 3.41 C ATOM 683 CE LYS A 46 23.178 7.562 -7.732 1.00 42.41 C ATOM 684 NZ LYS A 46 22.463 8.787 -8.157 1.00 21.40 N ATOM 0 H LYS A 46 24.891 6.245 -6.829 1.00 72.44 H new ATOM 0 HA LYS A 46 25.969 4.023 -8.505 1.00 4.21 H new ATOM 0 HB2 LYS A 46 23.559 3.934 -9.317 1.00 70.10 H new ATOM 0 HB3 LYS A 46 23.942 3.213 -7.766 1.00 70.10 H new ATOM 0 HG2 LYS A 46 21.907 4.524 -7.503 1.00 71.05 H new ATOM 0 HG3 LYS A 46 23.190 5.333 -6.625 1.00 71.05 H new ATOM 0 HD2 LYS A 46 23.073 6.230 -9.425 1.00 3.41 H new ATOM 0 HD3 LYS A 46 21.539 6.469 -8.611 1.00 3.41 H new ATOM 0 HE2 LYS A 46 23.088 7.437 -6.653 1.00 42.41 H new ATOM 0 HE3 LYS A 46 24.241 7.658 -7.955 1.00 42.41 H new ATOM 0 HZ1 LYS A 46 23.099 9.606 -8.075 1.00 21.40 H new ATOM 0 HZ2 LYS A 46 22.156 8.685 -9.145 1.00 21.40 H new ATOM 0 HZ3 LYS A 46 21.631 8.932 -7.549 1.00 21.40 H new ATOM 697 N LYS A 47 25.076 5.389 -10.667 1.00 53.41 N ATOM 698 CA LYS A 47 25.185 6.237 -11.842 1.00 52.12 C ATOM 699 C LYS A 47 23.792 6.465 -12.433 1.00 32.43 C ATOM 700 O LYS A 47 23.636 7.219 -13.391 1.00 52.24 O ATOM 701 CB LYS A 47 26.186 5.647 -12.837 1.00 72.15 C ATOM 702 CG LYS A 47 25.468 4.859 -13.935 1.00 30.41 C ATOM 703 CD LYS A 47 24.845 3.579 -13.373 1.00 11.33 C ATOM 704 CE LYS A 47 25.918 2.654 -12.796 1.00 3.44 C ATOM 705 NZ LYS A 47 25.399 1.274 -12.669 1.00 4.13 N ATOM 0 H LYS A 47 24.717 4.452 -10.849 1.00 53.41 H new ATOM 0 HA LYS A 47 25.580 7.216 -11.570 1.00 52.12 H new ATOM 0 HB2 LYS A 47 26.774 6.448 -13.285 1.00 72.15 H new ATOM 0 HB3 LYS A 47 26.884 4.994 -12.313 1.00 72.15 H new ATOM 0 HG2 LYS A 47 24.692 5.479 -14.384 1.00 30.41 H new ATOM 0 HG3 LYS A 47 26.173 4.607 -14.727 1.00 30.41 H new ATOM 0 HD2 LYS A 47 24.123 3.832 -12.597 1.00 11.33 H new ATOM 0 HD3 LYS A 47 24.298 3.060 -14.160 1.00 11.33 H new ATOM 0 HE2 LYS A 47 26.797 2.660 -13.441 1.00 3.44 H new ATOM 0 HE3 LYS A 47 26.236 3.021 -11.820 1.00 3.44 H new ATOM 0 HZ1 LYS A 47 26.140 0.659 -12.276 1.00 4.13 H new ATOM 0 HZ2 LYS A 47 24.574 1.270 -12.036 1.00 4.13 H new ATOM 0 HZ3 LYS A 47 25.118 0.921 -13.606 1.00 4.13 H new ATOM 718 N TYR A 48 22.815 5.798 -11.836 1.00 31.04 N ATOM 719 CA TYR A 48 21.440 5.918 -12.290 1.00 61.05 C ATOM 720 C TYR A 48 20.463 5.428 -11.219 1.00 44.52 C ATOM 721 O TYR A 48 20.573 4.300 -10.743 1.00 61.54 O ATOM 722 CB TYR A 48 21.323 5.016 -13.521 1.00 12.21 C ATOM 723 CG TYR A 48 20.661 3.666 -13.242 1.00 34.44 C ATOM 724 CD1 TYR A 48 19.318 3.607 -12.926 1.00 43.22 C ATOM 725 CD2 TYR A 48 21.406 2.505 -13.305 1.00 54.51 C ATOM 726 CE1 TYR A 48 18.695 2.336 -12.663 1.00 61.04 C ATOM 727 CE2 TYR A 48 20.782 1.234 -13.042 1.00 44.23 C ATOM 728 CZ TYR A 48 19.458 1.212 -12.734 1.00 51.24 C ATOM 729 OH TYR A 48 18.869 0.012 -12.486 1.00 63.41 O ATOM 0 H TYR A 48 22.949 5.172 -11.041 1.00 31.04 H new ATOM 0 HA TYR A 48 21.197 6.958 -12.508 1.00 61.05 H new ATOM 0 HB2 TYR A 48 20.751 5.538 -14.288 1.00 12.21 H new ATOM 0 HB3 TYR A 48 22.319 4.843 -13.928 1.00 12.21 H new ATOM 0 HD1 TYR A 48 18.735 4.515 -12.876 1.00 43.22 H new ATOM 0 HD2 TYR A 48 22.457 2.550 -13.551 1.00 54.51 H new ATOM 0 HE1 TYR A 48 17.646 2.276 -12.415 1.00 61.04 H new ATOM 0 HE2 TYR A 48 21.353 0.319 -13.088 1.00 44.23 H new ATOM 0 HH TYR A 48 19.534 -0.703 -12.574 1.00 63.41 H new ATOM 739 N TYR A 49 19.530 6.302 -10.871 1.00 42.21 N ATOM 740 CA TYR A 49 18.535 5.973 -9.865 1.00 11.11 C ATOM 741 C TYR A 49 17.125 6.007 -10.457 1.00 75.22 C ATOM 742 O TYR A 49 16.960 6.090 -11.673 1.00 51.33 O ATOM 743 CB TYR A 49 18.649 7.055 -8.789 1.00 63.20 C ATOM 744 CG TYR A 49 19.410 6.610 -7.538 1.00 43.44 C ATOM 745 CD1 TYR A 49 19.257 5.326 -7.057 1.00 14.11 C ATOM 746 CD2 TYR A 49 20.251 7.494 -6.892 1.00 34.24 C ATOM 747 CE1 TYR A 49 19.973 4.908 -5.880 1.00 31.22 C ATOM 748 CE2 TYR A 49 20.967 7.075 -5.715 1.00 12.55 C ATOM 749 CZ TYR A 49 20.793 5.803 -5.267 1.00 13.23 C ATOM 750 OH TYR A 49 21.469 5.408 -4.155 1.00 42.10 O ATOM 0 H TYR A 49 19.442 7.238 -11.268 1.00 42.21 H new ATOM 0 HA TYR A 49 18.705 4.971 -9.471 1.00 11.11 H new ATOM 0 HB2 TYR A 49 19.148 7.926 -9.215 1.00 63.20 H new ATOM 0 HB3 TYR A 49 17.647 7.372 -8.499 1.00 63.20 H new ATOM 0 HD1 TYR A 49 18.600 4.634 -7.563 1.00 14.11 H new ATOM 0 HD2 TYR A 49 20.372 8.499 -7.269 1.00 34.24 H new ATOM 0 HE1 TYR A 49 19.861 3.906 -5.493 1.00 31.22 H new ATOM 0 HE2 TYR A 49 21.628 7.756 -5.199 1.00 12.55 H new ATOM 0 HH TYR A 49 22.017 6.150 -3.824 1.00 42.10 H new ATOM 760 N LEU A 50 16.143 5.940 -9.570 1.00 11.12 N ATOM 761 CA LEU A 50 14.752 5.962 -9.990 1.00 31.15 C ATOM 762 C LEU A 50 13.992 7.004 -9.167 1.00 12.13 C ATOM 763 O LEU A 50 14.556 7.619 -8.263 1.00 42.13 O ATOM 764 CB LEU A 50 14.147 4.558 -9.914 1.00 4.51 C ATOM 765 CG LEU A 50 14.668 3.548 -10.938 1.00 22.22 C ATOM 766 CD1 LEU A 50 15.674 2.588 -10.298 1.00 55.14 C ATOM 767 CD2 LEU A 50 13.513 2.803 -11.610 1.00 51.41 C ATOM 0 H LEU A 50 16.283 5.870 -8.562 1.00 11.12 H new ATOM 0 HA LEU A 50 14.674 6.262 -11.035 1.00 31.15 H new ATOM 0 HB2 LEU A 50 14.327 4.160 -8.916 1.00 4.51 H new ATOM 0 HB3 LEU A 50 13.067 4.642 -10.033 1.00 4.51 H new ATOM 0 HG LEU A 50 15.196 4.095 -11.719 1.00 22.22 H new ATOM 0 HD11 LEU A 50 16.029 1.880 -11.047 1.00 55.14 H new ATOM 0 HD12 LEU A 50 16.518 3.154 -9.905 1.00 55.14 H new ATOM 0 HD13 LEU A 50 15.192 2.045 -9.485 1.00 55.14 H new ATOM 0 HD21 LEU A 50 13.911 2.091 -12.333 1.00 51.41 H new ATOM 0 HD22 LEU A 50 12.936 2.269 -10.855 1.00 51.41 H new ATOM 0 HD23 LEU A 50 12.868 3.517 -12.121 1.00 51.41 H new ATOM 779 N PHE A 51 12.723 7.171 -9.509 1.00 33.52 N ATOM 780 CA PHE A 51 11.879 8.128 -8.813 1.00 63.41 C ATOM 781 C PHE A 51 10.402 7.887 -9.128 1.00 54.24 C ATOM 782 O PHE A 51 9.959 8.111 -10.254 1.00 30.00 O ATOM 783 CB PHE A 51 12.275 9.519 -9.312 1.00 64.54 C ATOM 784 CG PHE A 51 13.270 10.245 -8.405 1.00 41.41 C ATOM 785 CD1 PHE A 51 12.861 10.740 -7.206 1.00 40.22 C ATOM 786 CD2 PHE A 51 14.564 10.397 -8.798 1.00 35.34 C ATOM 787 CE1 PHE A 51 13.784 11.415 -6.364 1.00 63.21 C ATOM 788 CE2 PHE A 51 15.487 11.071 -7.956 1.00 13.24 C ATOM 789 CZ PHE A 51 15.078 11.566 -6.757 1.00 14.04 C ATOM 0 H PHE A 51 12.258 6.660 -10.259 1.00 33.52 H new ATOM 0 HA PHE A 51 12.014 8.029 -7.736 1.00 63.41 H new ATOM 0 HB2 PHE A 51 12.707 9.427 -10.308 1.00 64.54 H new ATOM 0 HB3 PHE A 51 11.376 10.128 -9.410 1.00 64.54 H new ATOM 0 HD1 PHE A 51 11.834 10.620 -6.894 1.00 40.22 H new ATOM 0 HD2 PHE A 51 14.889 10.005 -9.750 1.00 35.34 H new ATOM 0 HE1 PHE A 51 13.459 11.808 -5.412 1.00 63.21 H new ATOM 0 HE2 PHE A 51 16.514 11.191 -8.268 1.00 13.24 H new ATOM 0 HZ PHE A 51 15.780 12.079 -6.117 1.00 14.04 H new ATOM 799 N GLY A 52 9.679 7.435 -8.114 1.00 61.52 N ATOM 800 CA GLY A 52 8.260 7.161 -8.269 1.00 44.31 C ATOM 801 C GLY A 52 7.584 6.986 -6.908 1.00 30.20 C ATOM 802 O GLY A 52 7.335 7.963 -6.204 1.00 53.21 O ATOM 0 H GLY A 52 10.049 7.252 -7.181 1.00 61.52 H new ATOM 0 HA2 GLY A 52 7.785 7.978 -8.812 1.00 44.31 H new ATOM 0 HA3 GLY A 52 8.123 6.259 -8.866 1.00 44.31 H new ATOM 806 N ARG A 53 7.306 5.733 -6.578 1.00 41.12 N ATOM 807 CA ARG A 53 6.663 5.417 -5.314 1.00 24.11 C ATOM 808 C ARG A 53 7.004 3.987 -4.888 1.00 51.32 C ATOM 809 O ARG A 53 7.293 3.736 -3.719 1.00 44.34 O ATOM 810 CB ARG A 53 5.144 5.563 -5.417 1.00 31.21 C ATOM 811 CG ARG A 53 4.756 6.413 -6.628 1.00 54.22 C ATOM 812 CD ARG A 53 3.242 6.634 -6.681 1.00 25.21 C ATOM 813 NE ARG A 53 2.546 5.335 -6.814 1.00 60.30 N ATOM 814 CZ ARG A 53 1.309 5.189 -7.336 1.00 24.14 C ATOM 815 NH1 ARG A 53 0.621 6.263 -7.778 1.00 65.22 N ATOM 816 NH2 ARG A 53 0.783 3.980 -7.406 1.00 40.42 N ATOM 0 H ARG A 53 7.514 4.925 -7.164 1.00 41.12 H new ATOM 0 HA ARG A 53 7.034 6.120 -4.568 1.00 24.11 H new ATOM 0 HB2 ARG A 53 4.685 4.578 -5.498 1.00 31.21 H new ATOM 0 HB3 ARG A 53 4.757 6.022 -4.507 1.00 31.21 H new ATOM 0 HG2 ARG A 53 5.266 7.375 -6.580 1.00 54.22 H new ATOM 0 HG3 ARG A 53 5.088 5.922 -7.543 1.00 54.22 H new ATOM 0 HD2 ARG A 53 2.909 7.144 -5.777 1.00 25.21 H new ATOM 0 HD3 ARG A 53 2.989 7.279 -7.522 1.00 25.21 H new ATOM 0 HE ARG A 53 3.031 4.498 -6.491 1.00 60.30 H new ATOM 0 HH11 ARG A 53 1.035 7.193 -7.719 1.00 65.22 H new ATOM 0 HH12 ARG A 53 -0.313 6.144 -8.171 1.00 65.22 H new ATOM 0 HH21 ARG A 53 1.310 3.174 -7.069 1.00 40.42 H new ATOM 0 HH22 ARG A 53 -0.150 3.852 -7.797 1.00 40.42 H new ATOM 829 N ASN A 54 6.958 3.088 -5.860 1.00 31.22 N ATOM 830 CA ASN A 54 7.258 1.690 -5.600 1.00 70.13 C ATOM 831 C ASN A 54 8.775 1.501 -5.541 1.00 61.12 C ATOM 832 O ASN A 54 9.461 1.636 -6.553 1.00 70.53 O ATOM 833 CB ASN A 54 6.713 0.794 -6.714 1.00 71.30 C ATOM 834 CG ASN A 54 5.811 -0.302 -6.144 1.00 33.44 C ATOM 835 OD1 ASN A 54 4.655 -0.443 -6.508 1.00 71.21 O ATOM 836 ND2 ASN A 54 6.401 -1.069 -5.231 1.00 2.41 N ATOM 0 H ASN A 54 6.718 3.300 -6.828 1.00 31.22 H new ATOM 0 HA ASN A 54 6.791 1.415 -4.654 1.00 70.13 H new ATOM 0 HB2 ASN A 54 6.152 1.396 -7.429 1.00 71.30 H new ATOM 0 HB3 ASN A 54 7.541 0.341 -7.259 1.00 71.30 H new ATOM 0 HD21 ASN A 54 5.882 -1.829 -4.791 1.00 2.41 H new ATOM 0 HD22 ASN A 54 7.372 -0.897 -4.971 1.00 2.41 H new ATOM 843 N PRO A 55 9.267 1.184 -4.314 1.00 23.53 N ATOM 844 CA PRO A 55 10.691 0.975 -4.109 1.00 74.43 C ATOM 845 C PRO A 55 11.133 -0.377 -4.674 1.00 42.44 C ATOM 846 O PRO A 55 12.316 -0.585 -4.940 1.00 40.12 O ATOM 847 CB PRO A 55 10.893 1.085 -2.607 1.00 14.11 C ATOM 848 CG PRO A 55 9.519 0.888 -1.986 1.00 41.50 C ATOM 849 CD PRO A 55 8.485 1.016 -3.093 1.00 31.24 C ATOM 0 HA PRO A 55 11.304 1.708 -4.634 1.00 74.43 H new ATOM 0 HB2 PRO A 55 11.594 0.330 -2.251 1.00 14.11 H new ATOM 0 HB3 PRO A 55 11.307 2.057 -2.339 1.00 14.11 H new ATOM 0 HG2 PRO A 55 9.451 -0.091 -1.512 1.00 41.50 H new ATOM 0 HG3 PRO A 55 9.341 1.632 -1.209 1.00 41.50 H new ATOM 0 HD2 PRO A 55 7.852 0.131 -3.147 1.00 31.24 H new ATOM 0 HD3 PRO A 55 7.827 1.869 -2.924 1.00 31.24 H new ATOM 857 N ASP A 56 10.160 -1.260 -4.841 1.00 52.44 N ATOM 858 CA ASP A 56 10.434 -2.585 -5.370 1.00 41.13 C ATOM 859 C ASP A 56 11.027 -2.456 -6.775 1.00 22.12 C ATOM 860 O ASP A 56 11.594 -3.411 -7.303 1.00 61.41 O ATOM 861 CB ASP A 56 9.152 -3.413 -5.473 1.00 30.44 C ATOM 862 CG ASP A 56 9.325 -4.797 -6.102 1.00 73.11 C ATOM 863 OD1 ASP A 56 8.525 -5.216 -6.952 1.00 61.41 O ATOM 864 OD2 ASP A 56 10.345 -5.464 -5.680 1.00 61.44 O ATOM 0 H ASP A 56 9.180 -1.084 -4.619 1.00 52.44 H new ATOM 0 HA ASP A 56 11.130 -3.081 -4.693 1.00 41.13 H new ATOM 0 HB2 ASP A 56 8.734 -3.534 -4.473 1.00 30.44 H new ATOM 0 HB3 ASP A 56 8.422 -2.853 -6.058 1.00 30.44 H new ATOM 870 N LEU A 57 10.876 -1.267 -7.340 1.00 20.25 N ATOM 871 CA LEU A 57 11.390 -1.001 -8.672 1.00 74.15 C ATOM 872 C LEU A 57 12.358 0.182 -8.614 1.00 62.14 C ATOM 873 O LEU A 57 13.458 0.115 -9.161 1.00 2.43 O ATOM 874 CB LEU A 57 10.238 -0.805 -9.661 1.00 23.20 C ATOM 875 CG LEU A 57 8.881 -1.365 -9.230 1.00 23.14 C ATOM 876 CD1 LEU A 57 7.757 -0.818 -10.111 1.00 41.22 C ATOM 877 CD2 LEU A 57 8.901 -2.895 -9.209 1.00 54.22 C ATOM 0 H LEU A 57 10.405 -0.477 -6.899 1.00 20.25 H new ATOM 0 HA LEU A 57 11.955 -1.857 -9.041 1.00 74.15 H new ATOM 0 HB2 LEU A 57 10.125 0.263 -9.849 1.00 23.20 H new ATOM 0 HB3 LEU A 57 10.516 -1.268 -10.608 1.00 23.20 H new ATOM 0 HG LEU A 57 8.682 -1.032 -8.211 1.00 23.14 H new ATOM 0 HD11 LEU A 57 6.803 -1.232 -9.783 1.00 41.22 H new ATOM 0 HD12 LEU A 57 7.728 0.269 -10.031 1.00 41.22 H new ATOM 0 HD13 LEU A 57 7.938 -1.100 -11.148 1.00 41.22 H new ATOM 0 HD21 LEU A 57 7.925 -3.267 -8.899 1.00 54.22 H new ATOM 0 HD22 LEU A 57 9.133 -3.270 -10.206 1.00 54.22 H new ATOM 0 HD23 LEU A 57 9.660 -3.239 -8.507 1.00 54.22 H new ATOM 889 N CYS A 58 11.914 1.237 -7.947 1.00 61.13 N ATOM 890 CA CYS A 58 12.728 2.433 -7.811 1.00 30.14 C ATOM 891 C CYS A 58 13.501 2.340 -6.494 1.00 22.12 C ATOM 892 O CYS A 58 13.182 1.514 -5.640 1.00 4.34 O ATOM 893 CB CYS A 58 11.881 3.705 -7.887 1.00 22.03 C ATOM 894 SG CYS A 58 10.813 3.658 -9.372 1.00 22.10 S ATOM 0 H CYS A 58 11.001 1.289 -7.495 1.00 61.13 H new ATOM 0 HA CYS A 58 13.432 2.494 -8.641 1.00 30.14 H new ATOM 0 HB2 CYS A 58 11.268 3.797 -6.991 1.00 22.03 H new ATOM 0 HB3 CYS A 58 12.528 4.581 -7.922 1.00 22.03 H new ATOM 0 HG CYS A 58 9.596 3.971 -9.041 1.00 22.10 H new ATOM 900 N ASP A 59 14.503 3.198 -6.371 1.00 11.32 N ATOM 901 CA ASP A 59 15.324 3.223 -5.172 1.00 42.34 C ATOM 902 C ASP A 59 14.758 4.253 -4.193 1.00 11.03 C ATOM 903 O ASP A 59 14.879 4.093 -2.979 1.00 63.12 O ATOM 904 CB ASP A 59 16.764 3.624 -5.500 1.00 10.13 C ATOM 905 CG ASP A 59 17.831 2.992 -4.603 1.00 52.05 C ATOM 906 OD1 ASP A 59 18.260 1.851 -4.829 1.00 61.21 O ATOM 907 OD2 ASP A 59 18.229 3.732 -3.624 1.00 74.05 O ATOM 0 H ASP A 59 14.765 3.881 -7.082 1.00 11.32 H new ATOM 0 HA ASP A 59 15.317 2.223 -4.737 1.00 42.34 H new ATOM 0 HB2 ASP A 59 16.974 3.354 -6.535 1.00 10.13 H new ATOM 0 HB3 ASP A 59 16.848 4.709 -5.431 1.00 10.13 H new ATOM 913 N PHE A 60 14.151 5.287 -4.756 1.00 42.41 N ATOM 914 CA PHE A 60 13.566 6.343 -3.947 1.00 52.14 C ATOM 915 C PHE A 60 12.039 6.250 -3.946 1.00 74.11 C ATOM 916 O PHE A 60 11.473 5.260 -4.408 1.00 41.24 O ATOM 917 CB PHE A 60 13.983 7.673 -4.578 1.00 41.10 C ATOM 918 CG PHE A 60 15.394 8.126 -4.198 1.00 43.20 C ATOM 919 CD1 PHE A 60 16.246 7.258 -3.590 1.00 4.45 C ATOM 920 CD2 PHE A 60 15.796 9.397 -4.469 1.00 24.12 C ATOM 921 CE1 PHE A 60 17.556 7.679 -3.237 1.00 21.10 C ATOM 922 CE2 PHE A 60 17.106 9.817 -4.116 1.00 41.42 C ATOM 923 CZ PHE A 60 17.958 8.950 -3.508 1.00 23.42 C ATOM 0 H PHE A 60 14.051 5.416 -5.763 1.00 42.41 H new ATOM 0 HA PHE A 60 13.910 6.256 -2.916 1.00 52.14 H new ATOM 0 HB2 PHE A 60 13.921 7.584 -5.663 1.00 41.10 H new ATOM 0 HB3 PHE A 60 13.272 8.444 -4.280 1.00 41.10 H new ATOM 0 HD1 PHE A 60 15.927 6.249 -3.376 1.00 4.45 H new ATOM 0 HD2 PHE A 60 15.119 10.086 -4.952 1.00 24.12 H new ATOM 0 HE1 PHE A 60 18.233 6.990 -2.754 1.00 21.10 H new ATOM 0 HE2 PHE A 60 17.425 10.826 -4.331 1.00 41.42 H new ATOM 0 HZ PHE A 60 18.954 9.270 -3.240 1.00 23.42 H new ATOM 933 N THR A 61 11.414 7.294 -3.421 1.00 63.02 N ATOM 934 CA THR A 61 9.964 7.342 -3.354 1.00 14.44 C ATOM 935 C THR A 61 9.482 8.792 -3.271 1.00 13.02 C ATOM 936 O THR A 61 9.784 9.496 -2.309 1.00 12.52 O ATOM 937 CB THR A 61 9.517 6.485 -2.168 1.00 32.21 C ATOM 938 OG1 THR A 61 10.517 6.711 -1.179 1.00 3.40 O ATOM 939 CG2 THR A 61 9.614 4.986 -2.460 1.00 11.03 C ATOM 0 H THR A 61 11.886 8.113 -3.038 1.00 63.02 H new ATOM 0 HA THR A 61 9.513 6.933 -4.258 1.00 14.44 H new ATOM 0 HB THR A 61 8.490 6.738 -1.904 1.00 32.21 H new ATOM 0 HG1 THR A 61 10.304 6.194 -0.374 1.00 3.40 H new ATOM 0 HG21 THR A 61 9.285 4.423 -1.586 1.00 11.03 H new ATOM 0 HG22 THR A 61 8.979 4.739 -3.311 1.00 11.03 H new ATOM 0 HG23 THR A 61 10.647 4.726 -2.691 1.00 11.03 H new ATOM 947 N ILE A 62 8.740 9.195 -4.292 1.00 62.43 N ATOM 948 CA ILE A 62 8.213 10.548 -4.347 1.00 64.33 C ATOM 949 C ILE A 62 7.179 10.733 -3.236 1.00 14.12 C ATOM 950 O ILE A 62 6.985 11.843 -2.742 1.00 75.11 O ATOM 951 CB ILE A 62 7.676 10.857 -5.746 1.00 32.10 C ATOM 952 CG1 ILE A 62 8.691 10.467 -6.822 1.00 41.32 C ATOM 953 CG2 ILE A 62 7.254 12.323 -5.860 1.00 3.45 C ATOM 954 CD1 ILE A 62 8.182 10.839 -8.216 1.00 43.34 C ATOM 0 H ILE A 62 8.491 8.608 -5.088 1.00 62.43 H new ATOM 0 HA ILE A 62 9.006 11.274 -4.168 1.00 64.33 H new ATOM 0 HB ILE A 62 6.785 10.252 -5.911 1.00 32.10 H new ATOM 0 HG12 ILE A 62 9.640 10.969 -6.631 1.00 41.32 H new ATOM 0 HG13 ILE A 62 8.883 9.395 -6.775 1.00 41.32 H new ATOM 0 HG21 ILE A 62 6.876 12.516 -6.864 1.00 3.45 H new ATOM 0 HG22 ILE A 62 6.472 12.534 -5.131 1.00 3.45 H new ATOM 0 HG23 ILE A 62 8.113 12.965 -5.666 1.00 3.45 H new ATOM 0 HD11 ILE A 62 8.922 10.551 -8.962 1.00 43.34 H new ATOM 0 HD12 ILE A 62 7.246 10.317 -8.413 1.00 43.34 H new ATOM 0 HD13 ILE A 62 8.015 11.915 -8.267 1.00 43.34 H new ATOM 966 N ASP A 63 6.541 9.629 -2.874 1.00 42.24 N ATOM 967 CA ASP A 63 5.531 9.656 -1.830 1.00 41.02 C ATOM 968 C ASP A 63 4.387 10.578 -2.257 1.00 1.11 C ATOM 969 O ASP A 63 4.034 11.510 -1.535 1.00 71.44 O ATOM 970 CB ASP A 63 6.108 10.194 -0.519 1.00 61.04 C ATOM 971 CG ASP A 63 5.085 10.409 0.597 1.00 13.15 C ATOM 972 OD1 ASP A 63 5.087 11.448 1.275 1.00 62.15 O ATOM 973 OD2 ASP A 63 4.248 9.442 0.764 1.00 75.25 O ATOM 0 H ASP A 63 6.704 8.710 -3.286 1.00 42.24 H new ATOM 0 HA ASP A 63 5.177 8.636 -1.677 1.00 41.02 H new ATOM 0 HB2 ASP A 63 6.871 9.501 -0.164 1.00 61.04 H new ATOM 0 HB3 ASP A 63 6.607 11.142 -0.721 1.00 61.04 H new ATOM 979 N HIS A 64 3.840 10.286 -3.428 1.00 11.52 N ATOM 980 CA HIS A 64 2.743 11.078 -3.959 1.00 62.22 C ATOM 981 C HIS A 64 1.620 10.150 -4.425 1.00 75.12 C ATOM 982 O HIS A 64 1.670 8.943 -4.194 1.00 65.35 O ATOM 983 CB HIS A 64 3.235 12.015 -5.064 1.00 70.21 C ATOM 984 CG HIS A 64 2.377 13.243 -5.255 1.00 73.43 C ATOM 985 ND1 HIS A 64 1.733 13.529 -6.446 1.00 42.35 N ATOM 986 CD2 HIS A 64 2.062 14.253 -4.395 1.00 3.03 C ATOM 987 CE1 HIS A 64 1.065 14.664 -6.298 1.00 45.05 C ATOM 988 NE2 HIS A 64 1.271 15.111 -5.026 1.00 41.24 N ATOM 0 H HIS A 64 4.136 9.513 -4.024 1.00 11.52 H new ATOM 0 HA HIS A 64 2.337 11.717 -3.175 1.00 62.22 H new ATOM 0 HB2 HIS A 64 4.253 12.328 -4.834 1.00 70.21 H new ATOM 0 HB3 HIS A 64 3.276 11.463 -6.003 1.00 70.21 H new ATOM 0 HD2 HIS A 64 2.399 14.340 -3.373 1.00 3.03 H new ATOM 0 HE1 HIS A 64 0.463 15.150 -7.052 1.00 45.05 H new ATOM 0 HE2 HIS A 64 0.881 15.964 -4.626 1.00 41.24 H new ATOM 996 N GLN A 65 0.631 10.749 -5.073 1.00 0.14 N ATOM 997 CA GLN A 65 -0.503 9.992 -5.573 1.00 74.42 C ATOM 998 C GLN A 65 -0.595 10.116 -7.095 1.00 65.34 C ATOM 999 O GLN A 65 -1.026 9.184 -7.773 1.00 2.20 O ATOM 1000 CB GLN A 65 -1.803 10.447 -4.907 1.00 74.22 C ATOM 1001 CG GLN A 65 -2.468 11.567 -5.710 1.00 3.21 C ATOM 1002 CD GLN A 65 -3.728 12.073 -5.006 1.00 13.03 C ATOM 1003 OE1 GLN A 65 -3.677 12.701 -3.961 1.00 34.43 O ATOM 1004 NE2 GLN A 65 -4.859 11.766 -5.634 1.00 54.05 N ATOM 0 H GLN A 65 0.592 11.750 -5.263 1.00 0.14 H new ATOM 0 HA GLN A 65 -0.352 8.942 -5.322 1.00 74.42 H new ATOM 0 HB2 GLN A 65 -2.486 9.602 -4.820 1.00 74.22 H new ATOM 0 HB3 GLN A 65 -1.595 10.794 -3.895 1.00 74.22 H new ATOM 0 HG2 GLN A 65 -1.766 12.390 -5.843 1.00 3.21 H new ATOM 0 HG3 GLN A 65 -2.724 11.203 -6.705 1.00 3.21 H new ATOM 0 HE21 GLN A 65 -4.831 11.238 -6.506 1.00 54.05 H new ATOM 0 HE22 GLN A 65 -5.755 12.059 -5.244 1.00 54.05 H new ATOM 1013 N SER A 66 -0.181 11.274 -7.588 1.00 73.05 N ATOM 1014 CA SER A 66 -0.211 11.532 -9.018 1.00 61.02 C ATOM 1015 C SER A 66 0.951 10.811 -9.704 1.00 43.01 C ATOM 1016 O SER A 66 0.782 10.236 -10.778 1.00 64.41 O ATOM 1017 CB SER A 66 -0.150 13.033 -9.308 1.00 62.13 C ATOM 1018 OG SER A 66 -1.343 13.703 -8.909 1.00 25.22 O ATOM 0 H SER A 66 0.177 12.044 -7.023 1.00 73.05 H new ATOM 0 HA SER A 66 -1.152 11.151 -9.415 1.00 61.02 H new ATOM 0 HB2 SER A 66 0.702 13.469 -8.786 1.00 62.13 H new ATOM 0 HB3 SER A 66 0.015 13.190 -10.374 1.00 62.13 H new ATOM 0 HG SER A 66 -1.264 14.659 -9.109 1.00 25.22 H new ATOM 1024 N CYS A 67 2.105 10.866 -9.055 1.00 62.24 N ATOM 1025 CA CYS A 67 3.295 10.225 -9.589 1.00 41.34 C ATOM 1026 C CYS A 67 2.959 8.764 -9.892 1.00 61.31 C ATOM 1027 O CYS A 67 1.814 8.341 -9.737 1.00 4.33 O ATOM 1028 CB CYS A 67 4.483 10.352 -8.633 1.00 71.33 C ATOM 1029 SG CYS A 67 4.895 12.116 -8.377 1.00 43.14 S ATOM 0 H CYS A 67 2.241 11.344 -8.165 1.00 62.24 H new ATOM 0 HA CYS A 67 3.599 10.725 -10.509 1.00 41.34 H new ATOM 0 HB2 CYS A 67 4.244 9.884 -7.678 1.00 71.33 H new ATOM 0 HB3 CYS A 67 5.346 9.824 -9.040 1.00 71.33 H new ATOM 0 HG CYS A 67 5.548 12.563 -9.408 1.00 43.14 H new ATOM 1035 N SER A 68 3.978 8.032 -10.319 1.00 33.33 N ATOM 1036 CA SER A 68 3.805 6.626 -10.645 1.00 14.34 C ATOM 1037 C SER A 68 4.949 5.806 -10.046 1.00 71.41 C ATOM 1038 O SER A 68 5.914 6.365 -9.529 1.00 5.22 O ATOM 1039 CB SER A 68 3.736 6.416 -12.158 1.00 42.35 C ATOM 1040 OG SER A 68 2.424 6.637 -12.669 1.00 62.12 O ATOM 0 H SER A 68 4.926 8.386 -10.447 1.00 33.33 H new ATOM 0 HA SER A 68 2.861 6.289 -10.216 1.00 14.34 H new ATOM 0 HB2 SER A 68 4.435 7.092 -12.650 1.00 42.35 H new ATOM 0 HB3 SER A 68 4.052 5.401 -12.398 1.00 42.35 H new ATOM 0 HG SER A 68 2.422 6.495 -13.639 1.00 62.12 H new ATOM 1046 N ARG A 69 4.803 4.492 -10.137 1.00 33.05 N ATOM 1047 CA ARG A 69 5.812 3.589 -9.610 1.00 71.44 C ATOM 1048 C ARG A 69 7.209 4.054 -10.025 1.00 41.21 C ATOM 1049 O ARG A 69 8.114 4.129 -9.195 1.00 61.24 O ATOM 1050 CB ARG A 69 5.588 2.161 -10.112 1.00 20.42 C ATOM 1051 CG ARG A 69 4.412 1.503 -9.387 1.00 23.24 C ATOM 1052 CD ARG A 69 3.115 1.673 -10.179 1.00 54.11 C ATOM 1053 NE ARG A 69 2.212 0.528 -9.925 1.00 23.12 N ATOM 1054 CZ ARG A 69 1.100 0.267 -10.644 1.00 32.34 C ATOM 1055 NH1 ARG A 69 0.743 1.069 -11.669 1.00 34.20 N ATOM 1056 NH2 ARG A 69 0.366 -0.785 -10.329 1.00 5.35 N ATOM 0 H ARG A 69 4.001 4.031 -10.568 1.00 33.05 H new ATOM 0 HA ARG A 69 5.730 3.598 -8.523 1.00 71.44 H new ATOM 0 HB2 ARG A 69 5.397 2.175 -11.185 1.00 20.42 H new ATOM 0 HB3 ARG A 69 6.491 1.571 -9.957 1.00 20.42 H new ATOM 0 HG2 ARG A 69 4.617 0.442 -9.242 1.00 23.24 H new ATOM 0 HG3 ARG A 69 4.298 1.944 -8.397 1.00 23.24 H new ATOM 0 HD2 ARG A 69 2.625 2.604 -9.894 1.00 54.11 H new ATOM 0 HD3 ARG A 69 3.336 1.743 -11.244 1.00 54.11 H new ATOM 0 HE ARG A 69 2.445 -0.103 -9.158 1.00 23.12 H new ATOM 0 HH11 ARG A 69 1.315 1.880 -11.905 1.00 34.20 H new ATOM 0 HH12 ARG A 69 -0.099 0.864 -12.207 1.00 34.20 H new ATOM 0 HH21 ARG A 69 0.643 -1.386 -9.553 1.00 5.35 H new ATOM 0 HH22 ARG A 69 -0.477 -0.996 -10.862 1.00 5.35 H new ATOM 1069 N VAL A 70 7.341 4.355 -11.309 1.00 10.34 N ATOM 1070 CA VAL A 70 8.613 4.812 -11.843 1.00 74.34 C ATOM 1071 C VAL A 70 8.406 6.139 -12.575 1.00 42.34 C ATOM 1072 O VAL A 70 8.666 6.239 -13.774 1.00 31.54 O ATOM 1073 CB VAL A 70 9.226 3.728 -12.733 1.00 34.25 C ATOM 1074 CG1 VAL A 70 10.748 3.869 -12.799 1.00 55.44 C ATOM 1075 CG2 VAL A 70 8.825 2.332 -12.250 1.00 43.04 C ATOM 0 H VAL A 70 6.588 4.291 -11.995 1.00 10.34 H new ATOM 0 HA VAL A 70 9.324 4.993 -11.036 1.00 74.34 H new ATOM 0 HB VAL A 70 8.834 3.860 -13.741 1.00 34.25 H new ATOM 0 HG11 VAL A 70 11.159 3.087 -13.438 1.00 55.44 H new ATOM 0 HG12 VAL A 70 11.005 4.845 -13.210 1.00 55.44 H new ATOM 0 HG13 VAL A 70 11.166 3.776 -11.797 1.00 55.44 H new ATOM 0 HG21 VAL A 70 9.273 1.580 -12.899 1.00 43.04 H new ATOM 0 HG22 VAL A 70 9.176 2.186 -11.228 1.00 43.04 H new ATOM 0 HG23 VAL A 70 7.740 2.235 -12.278 1.00 43.04 H new ATOM 1085 N HIS A 71 7.941 7.126 -11.824 1.00 41.40 N ATOM 1086 CA HIS A 71 7.697 8.444 -12.386 1.00 72.24 C ATOM 1087 C HIS A 71 8.831 8.811 -13.346 1.00 32.51 C ATOM 1088 O HIS A 71 8.588 9.112 -14.513 1.00 51.53 O ATOM 1089 CB HIS A 71 7.500 9.480 -11.278 1.00 32.32 C ATOM 1090 CG HIS A 71 7.204 10.872 -11.783 1.00 72.55 C ATOM 1091 ND1 HIS A 71 6.101 11.600 -11.372 1.00 5.03 N ATOM 1092 CD2 HIS A 71 7.878 11.660 -12.669 1.00 74.03 C ATOM 1093 CE1 HIS A 71 6.120 12.772 -11.989 1.00 45.11 C ATOM 1094 NE2 HIS A 71 7.222 12.807 -12.793 1.00 53.22 N ATOM 0 H HIS A 71 7.727 7.040 -10.831 1.00 41.40 H new ATOM 0 HA HIS A 71 6.771 8.432 -12.960 1.00 72.24 H new ATOM 0 HB2 HIS A 71 6.682 9.157 -10.634 1.00 32.32 H new ATOM 0 HB3 HIS A 71 8.398 9.512 -10.661 1.00 32.32 H new ATOM 0 HD2 HIS A 71 8.791 11.395 -13.182 1.00 74.03 H new ATOM 0 HE1 HIS A 71 5.391 13.561 -11.876 1.00 45.11 H new ATOM 0 HE2 HIS A 71 7.496 13.586 -13.391 1.00 53.22 H new ATOM 1103 N ALA A 72 10.045 8.772 -12.818 1.00 3.12 N ATOM 1104 CA ALA A 72 11.218 9.097 -13.613 1.00 34.44 C ATOM 1105 C ALA A 72 12.436 8.375 -13.034 1.00 24.00 C ATOM 1106 O ALA A 72 12.302 7.543 -12.138 1.00 2.33 O ATOM 1107 CB ALA A 72 11.403 10.615 -13.652 1.00 63.34 C ATOM 0 H ALA A 72 10.242 8.520 -11.849 1.00 3.12 H new ATOM 0 HA ALA A 72 11.092 8.758 -14.641 1.00 34.44 H new ATOM 0 HB1 ALA A 72 12.282 10.859 -14.248 1.00 63.34 H new ATOM 0 HB2 ALA A 72 10.523 11.077 -14.098 1.00 63.34 H new ATOM 0 HB3 ALA A 72 11.536 10.991 -12.638 1.00 63.34 H new ATOM 1113 N ALA A 73 13.598 8.720 -13.570 1.00 71.42 N ATOM 1114 CA ALA A 73 14.840 8.115 -13.118 1.00 55.13 C ATOM 1115 C ALA A 73 15.990 9.100 -13.336 1.00 11.14 C ATOM 1116 O ALA A 73 15.994 9.850 -14.311 1.00 63.50 O ATOM 1117 CB ALA A 73 15.059 6.791 -13.852 1.00 64.22 C ATOM 0 H ALA A 73 13.706 9.411 -14.313 1.00 71.42 H new ATOM 0 HA ALA A 73 14.794 7.893 -12.052 1.00 55.13 H new ATOM 0 HB1 ALA A 73 15.990 6.337 -13.513 1.00 64.22 H new ATOM 0 HB2 ALA A 73 14.229 6.117 -13.641 1.00 64.22 H new ATOM 0 HB3 ALA A 73 15.114 6.975 -14.925 1.00 64.22 H new ATOM 1123 N LEU A 74 16.938 9.067 -12.411 1.00 32.15 N ATOM 1124 CA LEU A 74 18.091 9.947 -12.489 1.00 0.53 C ATOM 1125 C LEU A 74 19.247 9.208 -13.167 1.00 15.45 C ATOM 1126 O LEU A 74 19.279 7.979 -13.179 1.00 63.13 O ATOM 1127 CB LEU A 74 18.440 10.497 -11.104 1.00 64.11 C ATOM 1128 CG LEU A 74 19.574 11.523 -11.056 1.00 50.43 C ATOM 1129 CD1 LEU A 74 19.334 12.555 -9.952 1.00 74.40 C ATOM 1130 CD2 LEU A 74 20.932 10.834 -10.911 1.00 41.01 C ATOM 0 H LEU A 74 16.931 8.444 -11.603 1.00 32.15 H new ATOM 0 HA LEU A 74 17.865 10.818 -13.104 1.00 0.53 H new ATOM 0 HB2 LEU A 74 17.546 10.954 -10.680 1.00 64.11 H new ATOM 0 HB3 LEU A 74 18.707 9.660 -10.459 1.00 64.11 H new ATOM 0 HG LEU A 74 19.586 12.062 -12.003 1.00 50.43 H new ATOM 0 HD11 LEU A 74 20.155 13.272 -9.940 1.00 74.40 H new ATOM 0 HD12 LEU A 74 18.397 13.079 -10.141 1.00 74.40 H new ATOM 0 HD13 LEU A 74 19.279 12.050 -8.988 1.00 74.40 H new ATOM 0 HD21 LEU A 74 21.720 11.586 -10.879 1.00 41.01 H new ATOM 0 HD22 LEU A 74 20.948 10.252 -9.989 1.00 41.01 H new ATOM 0 HD23 LEU A 74 21.097 10.172 -11.761 1.00 41.01 H new ATOM 1142 N VAL A 75 20.166 9.989 -13.714 1.00 4.44 N ATOM 1143 CA VAL A 75 21.321 9.424 -14.392 1.00 13.43 C ATOM 1144 C VAL A 75 22.483 10.417 -14.323 1.00 23.41 C ATOM 1145 O VAL A 75 22.353 11.562 -14.753 1.00 63.52 O ATOM 1146 CB VAL A 75 20.949 9.038 -15.825 1.00 35.14 C ATOM 1147 CG1 VAL A 75 22.176 8.552 -16.598 1.00 1.22 C ATOM 1148 CG2 VAL A 75 19.840 7.984 -15.838 1.00 34.13 C ATOM 0 H VAL A 75 20.135 11.008 -13.702 1.00 4.44 H new ATOM 0 HA VAL A 75 21.645 8.509 -13.897 1.00 13.43 H new ATOM 0 HB VAL A 75 20.570 9.930 -16.325 1.00 35.14 H new ATOM 0 HG11 VAL A 75 21.884 8.284 -17.613 1.00 1.22 H new ATOM 0 HG12 VAL A 75 22.922 9.346 -16.633 1.00 1.22 H new ATOM 0 HG13 VAL A 75 22.598 7.679 -16.100 1.00 1.22 H new ATOM 0 HG21 VAL A 75 19.594 7.727 -16.868 1.00 34.13 H new ATOM 0 HG22 VAL A 75 20.180 7.092 -15.313 1.00 34.13 H new ATOM 0 HG23 VAL A 75 18.954 8.381 -15.342 1.00 34.13 H new ATOM 1158 N TYR A 76 23.594 9.941 -13.778 1.00 53.14 N ATOM 1159 CA TYR A 76 24.778 10.772 -13.648 1.00 4.13 C ATOM 1160 C TYR A 76 25.654 10.679 -14.899 1.00 24.13 C ATOM 1161 O TYR A 76 26.227 9.628 -15.183 1.00 71.11 O ATOM 1162 CB TYR A 76 25.555 10.215 -12.453 1.00 70.52 C ATOM 1163 CG TYR A 76 26.929 10.855 -12.250 1.00 43.54 C ATOM 1164 CD1 TYR A 76 27.055 11.987 -11.470 1.00 73.01 C ATOM 1165 CD2 TYR A 76 28.044 10.302 -12.848 1.00 14.32 C ATOM 1166 CE1 TYR A 76 28.348 12.590 -11.279 1.00 42.32 C ATOM 1167 CE2 TYR A 76 29.337 10.906 -12.657 1.00 21.41 C ATOM 1168 CZ TYR A 76 29.426 12.020 -11.882 1.00 34.30 C ATOM 1169 OH TYR A 76 30.647 12.590 -11.702 1.00 23.53 O ATOM 0 H TYR A 76 23.698 8.991 -13.422 1.00 53.14 H new ATOM 0 HA TYR A 76 24.500 11.818 -13.516 1.00 4.13 H new ATOM 0 HB2 TYR A 76 24.962 10.358 -11.549 1.00 70.52 H new ATOM 0 HB3 TYR A 76 25.682 9.140 -12.585 1.00 70.52 H new ATOM 0 HD1 TYR A 76 26.183 12.420 -11.003 1.00 73.01 H new ATOM 0 HD2 TYR A 76 27.946 9.417 -13.459 1.00 14.32 H new ATOM 0 HE1 TYR A 76 28.460 13.475 -10.671 1.00 42.32 H new ATOM 0 HE2 TYR A 76 30.217 10.484 -13.119 1.00 21.41 H new ATOM 0 HH TYR A 76 31.323 12.076 -12.190 1.00 23.53 H new ATOM 1179 N HIS A 77 25.731 11.792 -15.613 1.00 3.33 N ATOM 1180 CA HIS A 77 26.528 11.849 -16.827 1.00 13.33 C ATOM 1181 C HIS A 77 28.009 11.689 -16.477 1.00 34.01 C ATOM 1182 O HIS A 77 28.426 12.010 -15.365 1.00 71.32 O ATOM 1183 CB HIS A 77 26.238 13.133 -17.606 1.00 43.54 C ATOM 1184 CG HIS A 77 26.177 12.943 -19.103 1.00 70.51 C ATOM 1185 ND1 HIS A 77 27.307 12.778 -19.885 1.00 21.11 N ATOM 1186 CD2 HIS A 77 25.111 12.891 -19.952 1.00 74.20 C ATOM 1187 CE1 HIS A 77 26.926 12.635 -21.146 1.00 3.52 C ATOM 1188 NE2 HIS A 77 25.565 12.706 -21.185 1.00 53.34 N ATOM 0 H HIS A 77 25.255 12.662 -15.374 1.00 3.33 H new ATOM 0 HA HIS A 77 26.255 11.024 -17.485 1.00 13.33 H new ATOM 0 HB2 HIS A 77 25.290 13.547 -17.264 1.00 43.54 H new ATOM 0 HB3 HIS A 77 27.009 13.868 -17.375 1.00 43.54 H new ATOM 0 HD2 HIS A 77 24.073 12.985 -19.669 1.00 74.20 H new ATOM 0 HE1 HIS A 77 27.579 12.488 -21.994 1.00 3.52 H new ATOM 0 HE2 HIS A 77 24.990 12.629 -22.024 1.00 53.34 H new ATOM 1196 N LYS A 78 28.762 11.193 -17.447 1.00 23.30 N ATOM 1197 CA LYS A 78 30.188 10.986 -17.256 1.00 33.22 C ATOM 1198 C LYS A 78 30.964 11.947 -18.158 1.00 12.51 C ATOM 1199 O LYS A 78 31.951 12.544 -17.731 1.00 40.32 O ATOM 1200 CB LYS A 78 30.549 9.515 -17.470 1.00 61.42 C ATOM 1201 CG LYS A 78 30.523 9.155 -18.957 1.00 75.40 C ATOM 1202 CD LYS A 78 30.372 7.645 -19.153 1.00 34.31 C ATOM 1203 CE LYS A 78 31.603 6.899 -18.634 1.00 73.25 C ATOM 1204 NZ LYS A 78 31.225 5.557 -18.138 1.00 73.30 N ATOM 0 H LYS A 78 28.412 10.928 -18.368 1.00 23.30 H new ATOM 0 HA LYS A 78 30.472 11.214 -16.229 1.00 33.22 H new ATOM 0 HB2 LYS A 78 31.540 9.317 -17.061 1.00 61.42 H new ATOM 0 HB3 LYS A 78 29.848 8.882 -16.927 1.00 61.42 H new ATOM 0 HG2 LYS A 78 29.698 9.673 -19.446 1.00 75.40 H new ATOM 0 HG3 LYS A 78 31.442 9.497 -19.434 1.00 75.40 H new ATOM 0 HD2 LYS A 78 29.482 7.294 -18.630 1.00 34.31 H new ATOM 0 HD3 LYS A 78 30.228 7.425 -20.211 1.00 34.31 H new ATOM 0 HE2 LYS A 78 32.341 6.804 -19.431 1.00 73.25 H new ATOM 0 HE3 LYS A 78 32.071 7.471 -17.833 1.00 73.25 H new ATOM 0 HZ1 LYS A 78 31.756 5.346 -17.269 1.00 73.30 H new ATOM 0 HZ2 LYS A 78 30.205 5.537 -17.934 1.00 73.30 H new ATOM 0 HZ3 LYS A 78 31.448 4.844 -18.862 1.00 73.30 H new ATOM 1217 N HIS A 79 30.488 12.068 -19.389 1.00 20.25 N ATOM 1218 CA HIS A 79 31.125 12.947 -20.355 1.00 31.25 C ATOM 1219 C HIS A 79 30.829 14.404 -19.995 1.00 51.24 C ATOM 1220 O HIS A 79 31.438 15.319 -20.547 1.00 1.40 O ATOM 1221 CB HIS A 79 30.698 12.589 -21.779 1.00 74.43 C ATOM 1222 CG HIS A 79 30.529 11.107 -22.016 1.00 22.43 C ATOM 1223 ND1 HIS A 79 31.575 10.285 -22.398 1.00 62.10 N ATOM 1224 CD2 HIS A 79 29.428 10.308 -21.919 1.00 54.11 C ATOM 1225 CE1 HIS A 79 31.112 9.050 -22.524 1.00 23.11 C ATOM 1226 NE2 HIS A 79 29.781 9.066 -22.227 1.00 41.52 N ATOM 0 H HIS A 79 29.669 11.572 -19.739 1.00 20.25 H new ATOM 0 HA HIS A 79 32.206 12.812 -20.318 1.00 31.25 H new ATOM 0 HB2 HIS A 79 29.757 13.092 -22.002 1.00 74.43 H new ATOM 0 HB3 HIS A 79 31.440 12.976 -22.478 1.00 74.43 H new ATOM 0 HD1 HIS A 79 32.539 10.580 -22.556 1.00 62.10 H new ATOM 0 HD2 HIS A 79 28.436 10.631 -21.639 1.00 54.11 H new ATOM 0 HE1 HIS A 79 31.688 8.183 -22.812 1.00 23.11 H new ATOM 1234 N LEU A 80 29.893 14.574 -19.073 1.00 4.52 N ATOM 1235 CA LEU A 80 29.509 15.905 -18.633 1.00 50.13 C ATOM 1236 C LEU A 80 29.848 16.065 -17.150 1.00 15.11 C ATOM 1237 O LEU A 80 30.103 17.174 -16.684 1.00 42.51 O ATOM 1238 CB LEU A 80 28.039 16.174 -18.961 1.00 72.31 C ATOM 1239 CG LEU A 80 27.636 15.999 -20.427 1.00 14.33 C ATOM 1240 CD1 LEU A 80 26.154 16.322 -20.630 1.00 1.11 C ATOM 1241 CD2 LEU A 80 28.534 16.830 -21.345 1.00 64.32 C ATOM 0 H LEU A 80 29.389 13.812 -18.618 1.00 4.52 H new ATOM 0 HA LEU A 80 30.076 16.663 -19.173 1.00 50.13 H new ATOM 0 HB2 LEU A 80 27.424 15.509 -18.354 1.00 72.31 H new ATOM 0 HB3 LEU A 80 27.800 17.194 -18.658 1.00 72.31 H new ATOM 0 HG LEU A 80 27.778 14.953 -20.698 1.00 14.33 H new ATOM 0 HD11 LEU A 80 25.893 16.190 -21.680 1.00 1.11 H new ATOM 0 HD12 LEU A 80 25.549 15.653 -20.019 1.00 1.11 H new ATOM 0 HD13 LEU A 80 25.963 17.354 -20.336 1.00 1.11 H new ATOM 0 HD21 LEU A 80 28.226 16.688 -22.381 1.00 64.32 H new ATOM 0 HD22 LEU A 80 28.447 17.884 -21.082 1.00 64.32 H new ATOM 0 HD23 LEU A 80 29.570 16.511 -21.227 1.00 64.32 H new ATOM 1253 N LYS A 81 29.838 14.941 -16.449 1.00 23.10 N ATOM 1254 CA LYS A 81 30.141 14.942 -15.028 1.00 2.41 C ATOM 1255 C LYS A 81 29.009 15.638 -14.270 1.00 75.11 C ATOM 1256 O LYS A 81 29.252 16.344 -13.293 1.00 24.43 O ATOM 1257 CB LYS A 81 31.519 15.557 -14.774 1.00 41.34 C ATOM 1258 CG LYS A 81 32.618 14.742 -15.459 1.00 52.15 C ATOM 1259 CD LYS A 81 32.890 15.266 -16.871 1.00 11.10 C ATOM 1260 CE LYS A 81 33.223 16.759 -16.847 1.00 0.12 C ATOM 1261 NZ LYS A 81 34.068 17.120 -18.007 1.00 3.42 N ATOM 0 H LYS A 81 29.625 14.023 -16.839 1.00 23.10 H new ATOM 0 HA LYS A 81 30.198 13.921 -14.651 1.00 2.41 H new ATOM 0 HB2 LYS A 81 31.537 16.582 -15.144 1.00 41.34 H new ATOM 0 HB3 LYS A 81 31.709 15.602 -13.702 1.00 41.34 H new ATOM 0 HG2 LYS A 81 33.532 14.789 -14.868 1.00 52.15 H new ATOM 0 HG3 LYS A 81 32.322 13.694 -15.507 1.00 52.15 H new ATOM 0 HD2 LYS A 81 33.717 14.712 -17.315 1.00 11.10 H new ATOM 0 HD3 LYS A 81 32.017 15.095 -17.501 1.00 11.10 H new ATOM 0 HE2 LYS A 81 32.303 17.343 -16.864 1.00 0.12 H new ATOM 0 HE3 LYS A 81 33.741 17.007 -15.921 1.00 0.12 H new ATOM 0 HZ1 LYS A 81 34.285 18.137 -17.976 1.00 3.42 H new ATOM 0 HZ2 LYS A 81 34.954 16.576 -17.974 1.00 3.42 H new ATOM 0 HZ3 LYS A 81 33.560 16.901 -18.888 1.00 3.42 H new ATOM 1274 N ARG A 82 27.794 15.414 -14.750 1.00 11.31 N ATOM 1275 CA ARG A 82 26.623 16.011 -14.130 1.00 71.31 C ATOM 1276 C ARG A 82 25.533 14.956 -13.929 1.00 62.43 C ATOM 1277 O ARG A 82 25.794 13.759 -14.043 1.00 24.03 O ATOM 1278 CB ARG A 82 26.067 17.151 -14.986 1.00 5.15 C ATOM 1279 CG ARG A 82 26.983 17.438 -16.178 1.00 13.24 C ATOM 1280 CD ARG A 82 26.291 18.350 -17.193 1.00 11.32 C ATOM 1281 NE ARG A 82 27.213 19.428 -17.615 1.00 52.22 N ATOM 1282 CZ ARG A 82 27.443 20.550 -16.901 1.00 1.32 C ATOM 1283 NH1 ARG A 82 26.819 20.751 -15.720 1.00 44.25 N ATOM 1284 NH2 ARG A 82 28.287 21.448 -17.374 1.00 3.13 N ATOM 0 H ARG A 82 27.595 14.828 -15.561 1.00 11.31 H new ATOM 0 HA ARG A 82 26.928 16.413 -13.164 1.00 71.31 H new ATOM 0 HB2 ARG A 82 25.071 16.890 -15.343 1.00 5.15 H new ATOM 0 HB3 ARG A 82 25.963 18.050 -14.378 1.00 5.15 H new ATOM 0 HG2 ARG A 82 27.903 17.907 -15.830 1.00 13.24 H new ATOM 0 HG3 ARG A 82 27.265 16.501 -16.658 1.00 13.24 H new ATOM 0 HD2 ARG A 82 25.976 17.770 -18.060 1.00 11.32 H new ATOM 0 HD3 ARG A 82 25.391 18.781 -16.753 1.00 11.32 H new ATOM 0 HE ARG A 82 27.706 19.316 -18.501 1.00 52.22 H new ATOM 0 HH11 ARG A 82 26.168 20.052 -15.362 1.00 44.25 H new ATOM 0 HH12 ARG A 82 26.998 21.602 -15.187 1.00 44.25 H new ATOM 0 HH21 ARG A 82 28.754 21.288 -18.267 1.00 3.13 H new ATOM 0 HH22 ARG A 82 28.472 22.301 -16.847 1.00 3.13 H new ATOM 1297 N VAL A 83 24.335 15.437 -13.634 1.00 53.45 N ATOM 1298 CA VAL A 83 23.204 14.551 -13.417 1.00 24.42 C ATOM 1299 C VAL A 83 22.135 14.825 -14.476 1.00 12.52 C ATOM 1300 O VAL A 83 22.184 15.845 -15.163 1.00 33.25 O ATOM 1301 CB VAL A 83 22.684 14.708 -11.987 1.00 31.44 C ATOM 1302 CG1 VAL A 83 21.490 13.785 -11.733 1.00 61.13 C ATOM 1303 CG2 VAL A 83 23.797 14.456 -10.967 1.00 41.55 C ATOM 0 H VAL A 83 24.122 16.430 -13.540 1.00 53.45 H new ATOM 0 HA VAL A 83 23.508 13.510 -13.526 1.00 24.42 H new ATOM 0 HB VAL A 83 22.345 15.737 -11.866 1.00 31.44 H new ATOM 0 HG11 VAL A 83 21.140 13.916 -10.709 1.00 61.13 H new ATOM 0 HG12 VAL A 83 20.686 14.031 -12.426 1.00 61.13 H new ATOM 0 HG13 VAL A 83 21.793 12.749 -11.883 1.00 61.13 H new ATOM 0 HG21 VAL A 83 23.400 14.574 -9.959 1.00 41.55 H new ATOM 0 HG22 VAL A 83 24.180 13.443 -11.090 1.00 41.55 H new ATOM 0 HG23 VAL A 83 24.604 15.171 -11.125 1.00 41.55 H new ATOM 1313 N PHE A 84 21.194 13.898 -14.575 1.00 14.33 N ATOM 1314 CA PHE A 84 20.114 14.028 -15.538 1.00 72.14 C ATOM 1315 C PHE A 84 18.816 13.432 -14.991 1.00 35.24 C ATOM 1316 O PHE A 84 18.846 12.564 -14.120 1.00 32.42 O ATOM 1317 CB PHE A 84 20.532 13.248 -16.786 1.00 43.25 C ATOM 1318 CG PHE A 84 21.333 14.073 -17.796 1.00 41.11 C ATOM 1319 CD1 PHE A 84 22.679 14.201 -17.654 1.00 5.41 C ATOM 1320 CD2 PHE A 84 20.698 14.678 -18.836 1.00 23.12 C ATOM 1321 CE1 PHE A 84 23.423 14.967 -18.591 1.00 33.10 C ATOM 1322 CE2 PHE A 84 21.441 15.443 -19.773 1.00 5.42 C ATOM 1323 CZ PHE A 84 22.788 15.572 -19.631 1.00 31.33 C ATOM 0 H PHE A 84 21.157 13.054 -14.004 1.00 14.33 H new ATOM 0 HA PHE A 84 19.935 15.081 -15.756 1.00 72.14 H new ATOM 0 HB2 PHE A 84 21.128 12.387 -16.482 1.00 43.25 H new ATOM 0 HB3 PHE A 84 19.639 12.860 -17.276 1.00 43.25 H new ATOM 0 HD1 PHE A 84 23.183 13.720 -16.829 1.00 5.41 H new ATOM 0 HD2 PHE A 84 19.629 14.576 -18.949 1.00 23.12 H new ATOM 0 HE1 PHE A 84 24.492 15.069 -18.478 1.00 33.10 H new ATOM 0 HE2 PHE A 84 20.937 15.923 -20.599 1.00 5.42 H new ATOM 0 HZ PHE A 84 23.353 16.155 -20.344 1.00 31.33 H new ATOM 1333 N LEU A 85 17.706 13.922 -15.523 1.00 71.35 N ATOM 1334 CA LEU A 85 16.399 13.448 -15.099 1.00 4.31 C ATOM 1335 C LEU A 85 15.608 12.982 -16.323 1.00 1.43 C ATOM 1336 O LEU A 85 15.160 13.800 -17.125 1.00 44.11 O ATOM 1337 CB LEU A 85 15.683 14.520 -14.275 1.00 11.12 C ATOM 1338 CG LEU A 85 14.284 14.156 -13.772 1.00 42.45 C ATOM 1339 CD1 LEU A 85 14.112 12.639 -13.680 1.00 24.02 C ATOM 1340 CD2 LEU A 85 13.982 14.850 -12.443 1.00 32.34 C ATOM 0 H LEU A 85 17.685 14.643 -16.244 1.00 71.35 H new ATOM 0 HA LEU A 85 16.501 12.586 -14.439 1.00 4.31 H new ATOM 0 HB2 LEU A 85 16.305 14.764 -13.414 1.00 11.12 H new ATOM 0 HB3 LEU A 85 15.607 15.424 -14.879 1.00 11.12 H new ATOM 0 HG LEU A 85 13.555 14.518 -14.497 1.00 42.45 H new ATOM 0 HD11 LEU A 85 13.109 12.408 -13.320 1.00 24.02 H new ATOM 0 HD12 LEU A 85 14.255 12.196 -14.666 1.00 24.02 H new ATOM 0 HD13 LEU A 85 14.849 12.231 -12.988 1.00 24.02 H new ATOM 0 HD21 LEU A 85 12.982 14.575 -12.108 1.00 32.34 H new ATOM 0 HD22 LEU A 85 14.713 14.540 -11.696 1.00 32.34 H new ATOM 0 HD23 LEU A 85 14.035 15.930 -12.576 1.00 32.34 H new ATOM 1352 N ILE A 86 15.460 11.670 -16.427 1.00 72.11 N ATOM 1353 CA ILE A 86 14.730 11.085 -17.540 1.00 3.44 C ATOM 1354 C ILE A 86 13.266 10.896 -17.140 1.00 33.51 C ATOM 1355 O ILE A 86 12.945 10.017 -16.341 1.00 25.12 O ATOM 1356 CB ILE A 86 15.411 9.798 -18.010 1.00 3.43 C ATOM 1357 CG1 ILE A 86 16.887 9.779 -17.605 1.00 13.34 C ATOM 1358 CG2 ILE A 86 15.228 9.600 -19.516 1.00 33.44 C ATOM 1359 CD1 ILE A 86 17.687 8.824 -18.493 1.00 13.32 C ATOM 0 H ILE A 86 15.833 10.995 -15.759 1.00 72.11 H new ATOM 0 HA ILE A 86 14.742 11.756 -18.399 1.00 3.44 H new ATOM 0 HB ILE A 86 14.930 8.956 -17.513 1.00 3.43 H new ATOM 0 HG12 ILE A 86 17.301 10.784 -17.680 1.00 13.34 H new ATOM 0 HG13 ILE A 86 16.978 9.474 -16.562 1.00 13.34 H new ATOM 0 HG21 ILE A 86 15.721 8.678 -19.824 1.00 33.44 H new ATOM 0 HG22 ILE A 86 14.165 9.538 -19.748 1.00 33.44 H new ATOM 0 HG23 ILE A 86 15.667 10.443 -20.050 1.00 33.44 H new ATOM 0 HD11 ILE A 86 18.732 8.829 -18.184 1.00 13.32 H new ATOM 0 HD12 ILE A 86 17.285 7.815 -18.397 1.00 13.32 H new ATOM 0 HD13 ILE A 86 17.614 9.146 -19.532 1.00 13.32 H new ATOM 1371 N ASP A 87 12.415 11.734 -17.714 1.00 65.21 N ATOM 1372 CA ASP A 87 10.992 11.669 -17.428 1.00 4.33 C ATOM 1373 C ASP A 87 10.411 10.393 -18.040 1.00 13.34 C ATOM 1374 O ASP A 87 9.846 10.426 -19.132 1.00 21.21 O ATOM 1375 CB ASP A 87 10.254 12.864 -18.035 1.00 32.24 C ATOM 1376 CG ASP A 87 10.934 14.218 -17.826 1.00 52.51 C ATOM 1377 OD1 ASP A 87 10.368 15.273 -18.150 1.00 4.41 O ATOM 1378 OD2 ASP A 87 12.110 14.163 -17.300 1.00 22.42 O ATOM 0 H ASP A 87 12.684 12.462 -18.376 1.00 65.21 H new ATOM 0 HA ASP A 87 10.864 11.678 -16.346 1.00 4.33 H new ATOM 0 HB2 ASP A 87 10.137 12.694 -19.105 1.00 32.24 H new ATOM 0 HB3 ASP A 87 9.252 12.908 -17.608 1.00 32.24 H new ATOM 1384 N LEU A 88 10.569 9.300 -17.309 1.00 34.53 N ATOM 1385 CA LEU A 88 10.066 8.015 -17.766 1.00 2.02 C ATOM 1386 C LEU A 88 8.562 8.123 -18.022 1.00 35.54 C ATOM 1387 O LEU A 88 7.755 7.763 -17.165 1.00 64.41 O ATOM 1388 CB LEU A 88 10.445 6.909 -16.778 1.00 53.42 C ATOM 1389 CG LEU A 88 11.933 6.788 -16.446 1.00 22.13 C ATOM 1390 CD1 LEU A 88 12.226 5.478 -15.711 1.00 73.04 C ATOM 1391 CD2 LEU A 88 12.790 6.944 -17.703 1.00 64.44 C ATOM 0 H LEU A 88 11.038 9.277 -16.404 1.00 34.53 H new ATOM 0 HA LEU A 88 10.531 7.738 -18.712 1.00 2.02 H new ATOM 0 HB2 LEU A 88 9.898 7.075 -15.850 1.00 53.42 H new ATOM 0 HB3 LEU A 88 10.104 5.956 -17.182 1.00 53.42 H new ATOM 0 HG LEU A 88 12.200 7.602 -15.772 1.00 22.13 H new ATOM 0 HD11 LEU A 88 13.291 5.417 -15.487 1.00 73.04 H new ATOM 0 HD12 LEU A 88 11.657 5.447 -14.782 1.00 73.04 H new ATOM 0 HD13 LEU A 88 11.939 4.636 -16.340 1.00 73.04 H new ATOM 0 HD21 LEU A 88 13.844 6.854 -17.439 1.00 64.44 H new ATOM 0 HD22 LEU A 88 12.528 6.167 -18.421 1.00 64.44 H new ATOM 0 HD23 LEU A 88 12.610 7.923 -18.147 1.00 64.44 H new ATOM 1403 N ASN A 89 8.229 8.619 -19.204 1.00 14.42 N ATOM 1404 CA ASN A 89 6.835 8.779 -19.583 1.00 61.21 C ATOM 1405 C ASN A 89 6.016 9.161 -18.349 1.00 35.32 C ATOM 1406 O ASN A 89 4.997 8.535 -18.057 1.00 43.14 O ATOM 1407 CB ASN A 89 6.264 7.475 -20.145 1.00 5.14 C ATOM 1408 CG ASN A 89 7.322 6.714 -20.947 1.00 1.23 C ATOM 1409 OD1 ASN A 89 7.349 6.737 -22.166 1.00 43.53 O ATOM 1410 ND2 ASN A 89 8.189 6.040 -20.196 1.00 50.33 N ATOM 0 H ASN A 89 8.900 8.916 -19.912 1.00 14.42 H new ATOM 0 HA ASN A 89 6.780 9.555 -20.346 1.00 61.21 H new ATOM 0 HB2 ASN A 89 5.903 6.850 -19.328 1.00 5.14 H new ATOM 0 HB3 ASN A 89 5.407 7.694 -20.782 1.00 5.14 H new ATOM 0 HD21 ASN A 89 8.933 5.500 -20.637 1.00 50.33 H new ATOM 0 HD22 ASN A 89 8.109 6.064 -19.179 1.00 50.33 H new ATOM 1417 N SER A 90 6.490 10.186 -17.657 1.00 24.35 N ATOM 1418 CA SER A 90 5.814 10.658 -16.460 1.00 44.33 C ATOM 1419 C SER A 90 4.354 10.987 -16.779 1.00 65.44 C ATOM 1420 O SER A 90 4.067 11.654 -17.772 1.00 1.12 O ATOM 1421 CB SER A 90 6.519 11.885 -15.878 1.00 22.02 C ATOM 1422 OG SER A 90 5.637 12.687 -15.098 1.00 12.25 O ATOM 0 H SER A 90 7.334 10.703 -17.902 1.00 24.35 H new ATOM 0 HA SER A 90 5.846 9.865 -15.713 1.00 44.33 H new ATOM 0 HB2 SER A 90 7.357 11.563 -15.261 1.00 22.02 H new ATOM 0 HB3 SER A 90 6.932 12.484 -16.689 1.00 22.02 H new ATOM 0 HG SER A 90 6.137 13.107 -14.367 1.00 12.25 H new ATOM 1428 N THR A 91 3.471 10.502 -15.919 1.00 51.22 N ATOM 1429 CA THR A 91 2.048 10.736 -16.097 1.00 33.30 C ATOM 1430 C THR A 91 1.805 12.126 -16.688 1.00 22.12 C ATOM 1431 O THR A 91 0.967 12.291 -17.573 1.00 21.41 O ATOM 1432 CB THR A 91 1.361 10.521 -14.747 1.00 2.04 C ATOM 1433 OG1 THR A 91 0.250 11.413 -14.776 1.00 63.13 O ATOM 1434 CG2 THR A 91 2.208 11.019 -13.574 1.00 13.25 C ATOM 0 H THR A 91 3.713 9.948 -15.097 1.00 51.22 H new ATOM 0 HA THR A 91 1.619 10.034 -16.812 1.00 33.30 H new ATOM 0 HB THR A 91 1.145 9.461 -14.615 1.00 2.04 H new ATOM 0 HG1 THR A 91 -0.252 11.338 -13.938 1.00 63.13 H new ATOM 0 HG21 THR A 91 1.675 10.843 -12.640 1.00 13.25 H new ATOM 0 HG22 THR A 91 3.157 10.483 -13.557 1.00 13.25 H new ATOM 0 HG23 THR A 91 2.396 12.086 -13.689 1.00 13.25 H new ATOM 1442 N HIS A 92 2.554 13.091 -16.174 1.00 72.23 N ATOM 1443 CA HIS A 92 2.431 14.462 -16.640 1.00 33.30 C ATOM 1444 C HIS A 92 3.732 14.891 -17.320 1.00 50.45 C ATOM 1445 O HIS A 92 3.741 15.202 -18.511 1.00 24.53 O ATOM 1446 CB HIS A 92 2.026 15.391 -15.493 1.00 64.35 C ATOM 1447 CG HIS A 92 1.277 14.700 -14.379 1.00 0.31 C ATOM 1448 ND1 HIS A 92 -0.097 14.785 -14.235 1.00 21.52 N ATOM 1449 CD2 HIS A 92 1.724 13.913 -13.359 1.00 12.14 C ATOM 1450 CE1 HIS A 92 -0.450 14.077 -13.172 1.00 10.02 C ATOM 1451 NE2 HIS A 92 0.680 13.538 -12.630 1.00 12.22 N ATOM 0 H HIS A 92 3.248 12.951 -15.440 1.00 72.23 H new ATOM 0 HA HIS A 92 1.635 14.528 -17.382 1.00 33.30 H new ATOM 0 HB2 HIS A 92 2.922 15.855 -15.081 1.00 64.35 H new ATOM 0 HB3 HIS A 92 1.405 16.194 -15.891 1.00 64.35 H new ATOM 0 HD1 HIS A 92 -0.730 15.304 -14.843 1.00 21.52 H new ATOM 0 HD2 HIS A 92 2.753 13.641 -13.175 1.00 12.14 H new ATOM 0 HE1 HIS A 92 -1.456 13.949 -12.800 1.00 10.02 H new ATOM 1459 N GLY A 93 4.799 14.896 -16.535 1.00 62.24 N ATOM 1460 CA GLY A 93 6.103 15.282 -17.047 1.00 41.21 C ATOM 1461 C GLY A 93 7.001 15.804 -15.923 1.00 73.12 C ATOM 1462 O GLY A 93 6.550 15.970 -14.791 1.00 1.42 O ATOM 0 H GLY A 93 4.787 14.639 -15.548 1.00 62.24 H new ATOM 0 HA2 GLY A 93 6.577 14.426 -17.528 1.00 41.21 H new ATOM 0 HA3 GLY A 93 5.985 16.051 -17.810 1.00 41.21 H new ATOM 1466 N THR A 94 8.255 16.047 -16.275 1.00 55.42 N ATOM 1467 CA THR A 94 9.219 16.547 -15.310 1.00 63.22 C ATOM 1468 C THR A 94 9.738 17.921 -15.737 1.00 42.24 C ATOM 1469 O THR A 94 9.716 18.257 -16.921 1.00 23.34 O ATOM 1470 CB THR A 94 10.324 15.499 -15.161 1.00 45.42 C ATOM 1471 OG1 THR A 94 9.630 14.255 -15.191 1.00 1.41 O ATOM 1472 CG2 THR A 94 10.977 15.529 -13.778 1.00 12.15 C ATOM 0 H THR A 94 8.626 15.907 -17.215 1.00 55.42 H new ATOM 0 HA THR A 94 8.760 16.698 -14.333 1.00 63.22 H new ATOM 0 HB THR A 94 11.084 15.663 -15.925 1.00 45.42 H new ATOM 0 HG1 THR A 94 10.272 13.520 -15.102 1.00 1.41 H new ATOM 0 HG21 THR A 94 11.754 14.766 -13.726 1.00 12.15 H new ATOM 0 HG22 THR A 94 11.420 16.510 -13.606 1.00 12.15 H new ATOM 0 HG23 THR A 94 10.223 15.332 -13.015 1.00 12.15 H new ATOM 1480 N PHE A 95 10.193 18.679 -14.751 1.00 11.44 N ATOM 1481 CA PHE A 95 10.717 20.010 -15.009 1.00 74.14 C ATOM 1482 C PHE A 95 11.999 20.259 -14.212 1.00 53.04 C ATOM 1483 O PHE A 95 12.270 19.566 -13.233 1.00 71.33 O ATOM 1484 CB PHE A 95 9.648 21.007 -14.558 1.00 34.12 C ATOM 1485 CG PHE A 95 8.629 21.361 -15.643 1.00 72.10 C ATOM 1486 CD1 PHE A 95 7.760 20.417 -16.094 1.00 70.21 C ATOM 1487 CD2 PHE A 95 8.592 22.620 -16.157 1.00 31.35 C ATOM 1488 CE1 PHE A 95 6.814 20.745 -17.101 1.00 44.32 C ATOM 1489 CE2 PHE A 95 7.646 22.948 -17.164 1.00 4.24 C ATOM 1490 CZ PHE A 95 6.778 22.004 -17.615 1.00 15.23 C ATOM 0 H PHE A 95 10.210 18.397 -13.771 1.00 11.44 H new ATOM 0 HA PHE A 95 10.953 20.118 -16.068 1.00 74.14 H new ATOM 0 HB2 PHE A 95 9.120 20.593 -13.699 1.00 34.12 H new ATOM 0 HB3 PHE A 95 10.137 21.921 -14.222 1.00 34.12 H new ATOM 0 HD1 PHE A 95 7.789 19.417 -15.686 1.00 70.21 H new ATOM 0 HD2 PHE A 95 9.282 23.370 -15.799 1.00 31.35 H new ATOM 0 HE1 PHE A 95 6.124 19.995 -17.459 1.00 44.32 H new ATOM 0 HE2 PHE A 95 7.616 23.948 -17.572 1.00 4.24 H new ATOM 0 HZ PHE A 95 6.060 22.254 -18.382 1.00 15.23 H new ATOM 1500 N LEU A 96 12.753 21.251 -14.662 1.00 24.03 N ATOM 1501 CA LEU A 96 14.000 21.600 -14.003 1.00 4.32 C ATOM 1502 C LEU A 96 13.913 23.037 -13.485 1.00 4.32 C ATOM 1503 O LEU A 96 14.693 23.897 -13.894 1.00 34.31 O ATOM 1504 CB LEU A 96 15.187 21.354 -14.937 1.00 22.04 C ATOM 1505 CG LEU A 96 16.564 21.730 -14.385 1.00 30.20 C ATOM 1506 CD1 LEU A 96 16.759 21.175 -12.973 1.00 30.52 C ATOM 1507 CD2 LEU A 96 17.676 21.282 -15.335 1.00 42.35 C ATOM 0 H LEU A 96 12.525 21.824 -15.474 1.00 24.03 H new ATOM 0 HA LEU A 96 14.166 20.958 -13.138 1.00 4.32 H new ATOM 0 HB2 LEU A 96 15.201 20.297 -15.204 1.00 22.04 H new ATOM 0 HB3 LEU A 96 15.021 21.913 -15.858 1.00 22.04 H new ATOM 0 HG LEU A 96 16.619 22.816 -14.314 1.00 30.20 H new ATOM 0 HD11 LEU A 96 17.745 21.457 -12.604 1.00 30.52 H new ATOM 0 HD12 LEU A 96 15.994 21.584 -12.312 1.00 30.52 H new ATOM 0 HD13 LEU A 96 16.676 20.088 -12.995 1.00 30.52 H new ATOM 0 HD21 LEU A 96 18.644 21.561 -14.919 1.00 42.35 H new ATOM 0 HD22 LEU A 96 17.633 20.200 -15.460 1.00 42.35 H new ATOM 0 HD23 LEU A 96 17.544 21.765 -16.303 1.00 42.35 H new ATOM 1519 N GLY A 97 12.959 23.254 -12.592 1.00 75.13 N ATOM 1520 CA GLY A 97 12.760 24.572 -12.014 1.00 55.01 C ATOM 1521 C GLY A 97 11.765 25.389 -12.841 1.00 53.00 C ATOM 1522 O GLY A 97 10.669 25.697 -12.374 1.00 62.10 O ATOM 0 H GLY A 97 12.315 22.539 -12.254 1.00 75.13 H new ATOM 0 HA2 GLY A 97 12.394 24.473 -10.992 1.00 55.01 H new ATOM 0 HA3 GLY A 97 13.713 25.098 -11.962 1.00 55.01 H new ATOM 1526 N HIS A 98 12.182 25.717 -14.055 1.00 31.10 N ATOM 1527 CA HIS A 98 11.341 26.492 -14.951 1.00 42.23 C ATOM 1528 C HIS A 98 11.403 25.894 -16.358 1.00 41.44 C ATOM 1529 O HIS A 98 10.941 26.509 -17.319 1.00 32.43 O ATOM 1530 CB HIS A 98 11.731 27.971 -14.918 1.00 13.41 C ATOM 1531 CG HIS A 98 12.696 28.377 -16.006 1.00 51.01 C ATOM 1532 ND1 HIS A 98 14.053 28.533 -15.785 1.00 0.35 N ATOM 1533 CD2 HIS A 98 12.486 28.656 -17.325 1.00 24.52 C ATOM 1534 CE1 HIS A 98 14.625 28.891 -16.925 1.00 74.20 C ATOM 1535 NE2 HIS A 98 13.652 28.967 -17.878 1.00 70.43 N ATOM 0 H HIS A 98 13.091 25.460 -14.439 1.00 31.10 H new ATOM 0 HA HIS A 98 10.304 26.442 -14.618 1.00 42.23 H new ATOM 0 HB2 HIS A 98 10.828 28.576 -15.003 1.00 13.41 H new ATOM 0 HB3 HIS A 98 12.176 28.197 -13.949 1.00 13.41 H new ATOM 0 HD2 HIS A 98 11.533 28.628 -17.833 1.00 24.52 H new ATOM 0 HE1 HIS A 98 15.676 29.088 -17.074 1.00 74.20 H new ATOM 0 HE2 HIS A 98 13.797 29.221 -18.855 1.00 70.43 H new ATOM 1543 N ILE A 99 11.978 24.703 -16.436 1.00 1.43 N ATOM 1544 CA ILE A 99 12.107 24.016 -17.709 1.00 74.42 C ATOM 1545 C ILE A 99 11.356 22.684 -17.643 1.00 13.12 C ATOM 1546 O ILE A 99 11.066 22.184 -16.557 1.00 13.41 O ATOM 1547 CB ILE A 99 13.580 23.872 -18.094 1.00 64.03 C ATOM 1548 CG1 ILE A 99 14.341 25.176 -17.848 1.00 2.43 C ATOM 1549 CG2 ILE A 99 13.725 23.388 -19.539 1.00 0.34 C ATOM 1550 CD1 ILE A 99 15.816 25.031 -18.228 1.00 0.20 C ATOM 0 H ILE A 99 12.360 24.196 -15.637 1.00 1.43 H new ATOM 0 HA ILE A 99 11.649 24.602 -18.506 1.00 74.42 H new ATOM 0 HB ILE A 99 14.027 23.112 -17.453 1.00 64.03 H new ATOM 0 HG12 ILE A 99 13.889 25.980 -18.429 1.00 2.43 H new ATOM 0 HG13 ILE A 99 14.258 25.457 -16.798 1.00 2.43 H new ATOM 0 HG21 ILE A 99 14.782 23.294 -19.787 1.00 0.34 H new ATOM 0 HG22 ILE A 99 13.239 22.418 -19.648 1.00 0.34 H new ATOM 0 HG23 ILE A 99 13.257 24.106 -20.212 1.00 0.34 H new ATOM 0 HD11 ILE A 99 16.334 25.972 -18.043 1.00 0.20 H new ATOM 0 HD12 ILE A 99 16.271 24.243 -17.628 1.00 0.20 H new ATOM 0 HD13 ILE A 99 15.896 24.774 -19.284 1.00 0.20 H new ATOM 1562 N ARG A 100 11.062 22.148 -18.818 1.00 64.42 N ATOM 1563 CA ARG A 100 10.351 20.884 -18.907 1.00 71.23 C ATOM 1564 C ARG A 100 11.168 19.870 -19.711 1.00 53.32 C ATOM 1565 O ARG A 100 11.894 20.243 -20.632 1.00 13.05 O ATOM 1566 CB ARG A 100 8.984 21.067 -19.570 1.00 31.15 C ATOM 1567 CG ARG A 100 9.116 21.125 -21.093 1.00 31.52 C ATOM 1568 CD ARG A 100 8.886 19.746 -21.716 1.00 21.05 C ATOM 1569 NE ARG A 100 7.587 19.198 -21.266 1.00 20.30 N ATOM 1570 CZ ARG A 100 6.414 19.416 -21.898 1.00 21.50 C ATOM 1571 NH1 ARG A 100 6.368 20.174 -23.014 1.00 73.51 N ATOM 1572 NH2 ARG A 100 5.313 18.876 -21.408 1.00 44.31 N ATOM 0 H ARG A 100 11.303 22.566 -19.717 1.00 64.42 H new ATOM 0 HA ARG A 100 10.204 20.514 -17.892 1.00 71.23 H new ATOM 0 HB2 ARG A 100 8.327 20.244 -19.290 1.00 31.15 H new ATOM 0 HB3 ARG A 100 8.520 21.984 -19.207 1.00 31.15 H new ATOM 0 HG2 ARG A 100 8.395 21.836 -21.497 1.00 31.52 H new ATOM 0 HG3 ARG A 100 10.108 21.489 -21.362 1.00 31.52 H new ATOM 0 HD2 ARG A 100 8.901 19.822 -22.803 1.00 21.05 H new ATOM 0 HD3 ARG A 100 9.693 19.070 -21.432 1.00 21.05 H new ATOM 0 HE ARG A 100 7.577 18.620 -20.426 1.00 20.30 H new ATOM 0 HH11 ARG A 100 7.223 20.587 -23.386 1.00 73.51 H new ATOM 0 HH12 ARG A 100 5.478 20.334 -23.486 1.00 73.51 H new ATOM 0 HH21 ARG A 100 5.357 18.304 -20.564 1.00 44.31 H new ATOM 0 HH22 ARG A 100 4.418 19.031 -21.873 1.00 44.31 H new ATOM 1585 N LEU A 101 11.022 18.608 -19.334 1.00 52.55 N ATOM 1586 CA LEU A 101 11.737 17.539 -20.009 1.00 20.50 C ATOM 1587 C LEU A 101 10.735 16.646 -20.745 1.00 5.03 C ATOM 1588 O LEU A 101 9.549 16.638 -20.419 1.00 25.03 O ATOM 1589 CB LEU A 101 12.625 16.781 -19.020 1.00 20.12 C ATOM 1590 CG LEU A 101 12.625 17.304 -17.582 1.00 21.11 C ATOM 1591 CD1 LEU A 101 13.516 16.442 -16.685 1.00 72.01 C ATOM 1592 CD2 LEU A 101 13.023 18.781 -17.536 1.00 32.54 C ATOM 0 H LEU A 101 10.419 18.302 -18.570 1.00 52.55 H new ATOM 0 HA LEU A 101 12.412 17.948 -20.761 1.00 20.50 H new ATOM 0 HB2 LEU A 101 12.311 15.737 -19.006 1.00 20.12 H new ATOM 0 HB3 LEU A 101 13.649 16.801 -19.393 1.00 20.12 H new ATOM 0 HG LEU A 101 11.610 17.232 -17.192 1.00 21.11 H new ATOM 0 HD11 LEU A 101 13.498 16.835 -15.669 1.00 72.01 H new ATOM 0 HD12 LEU A 101 13.147 15.416 -16.684 1.00 72.01 H new ATOM 0 HD13 LEU A 101 14.538 16.459 -17.063 1.00 72.01 H new ATOM 0 HD21 LEU A 101 13.015 19.128 -16.503 1.00 32.54 H new ATOM 0 HD22 LEU A 101 14.023 18.901 -17.952 1.00 32.54 H new ATOM 0 HD23 LEU A 101 12.314 19.367 -18.121 1.00 32.54 H new ATOM 1604 N GLU A 102 11.250 15.916 -21.723 1.00 73.14 N ATOM 1605 CA GLU A 102 10.415 15.022 -22.508 1.00 61.11 C ATOM 1606 C GLU A 102 10.271 13.673 -21.801 1.00 31.04 C ATOM 1607 O GLU A 102 11.114 13.302 -20.985 1.00 52.42 O ATOM 1608 CB GLU A 102 10.979 14.843 -23.919 1.00 55.43 C ATOM 1609 CG GLU A 102 11.218 16.198 -24.589 1.00 61.14 C ATOM 1610 CD GLU A 102 10.261 16.405 -25.765 1.00 14.13 C ATOM 1611 OE1 GLU A 102 9.497 15.492 -26.111 1.00 32.45 O ATOM 1612 OE2 GLU A 102 10.328 17.565 -26.325 1.00 11.23 O ATOM 0 H GLU A 102 12.234 15.925 -21.990 1.00 73.14 H new ATOM 0 HA GLU A 102 9.425 15.469 -22.601 1.00 61.11 H new ATOM 0 HB2 GLU A 102 11.915 14.286 -23.873 1.00 55.43 H new ATOM 0 HB3 GLU A 102 10.286 14.253 -24.519 1.00 55.43 H new ATOM 0 HG2 GLU A 102 11.082 16.997 -23.860 1.00 61.14 H new ATOM 0 HG3 GLU A 102 12.248 16.258 -24.939 1.00 61.14 H new ATOM 1620 N PRO A 103 9.168 12.957 -22.148 1.00 31.04 N ATOM 1621 CA PRO A 103 8.902 11.657 -21.555 1.00 44.20 C ATOM 1622 C PRO A 103 9.824 10.587 -22.144 1.00 5.53 C ATOM 1623 O PRO A 103 9.355 9.587 -22.684 1.00 10.11 O ATOM 1624 CB PRO A 103 7.432 11.392 -21.832 1.00 33.40 C ATOM 1625 CG PRO A 103 7.045 12.329 -22.964 1.00 52.12 C ATOM 1626 CD PRO A 103 8.148 13.364 -23.110 1.00 1.43 C ATOM 0 HA PRO A 103 9.102 11.634 -20.484 1.00 44.20 H new ATOM 0 HB2 PRO A 103 7.269 10.352 -22.113 1.00 33.40 H new ATOM 0 HB3 PRO A 103 6.827 11.581 -20.945 1.00 33.40 H new ATOM 0 HG2 PRO A 103 6.918 11.773 -23.893 1.00 52.12 H new ATOM 0 HG3 PRO A 103 6.093 12.814 -22.750 1.00 52.12 H new ATOM 0 HD2 PRO A 103 8.545 13.379 -24.125 1.00 1.43 H new ATOM 0 HD3 PRO A 103 7.780 14.368 -22.896 1.00 1.43 H new ATOM 1634 N HIS A 104 11.120 10.835 -22.019 1.00 61.20 N ATOM 1635 CA HIS A 104 12.112 9.905 -22.532 1.00 2.32 C ATOM 1636 C HIS A 104 13.473 10.600 -22.613 1.00 10.03 C ATOM 1637 O HIS A 104 14.489 10.031 -22.218 1.00 23.40 O ATOM 1638 CB HIS A 104 11.665 9.319 -23.872 1.00 63.33 C ATOM 1639 CG HIS A 104 11.041 7.948 -23.765 1.00 72.12 C ATOM 1640 ND1 HIS A 104 11.681 6.877 -23.166 1.00 12.34 N ATOM 1641 CD2 HIS A 104 9.829 7.485 -24.186 1.00 54.51 C ATOM 1642 CE1 HIS A 104 10.881 5.823 -23.229 1.00 61.13 C ATOM 1643 NE2 HIS A 104 9.734 6.202 -23.863 1.00 31.34 N ATOM 0 H HIS A 104 11.506 11.666 -21.570 1.00 61.20 H new ATOM 0 HA HIS A 104 12.213 9.062 -21.849 1.00 2.32 H new ATOM 0 HB2 HIS A 104 10.948 9.998 -24.333 1.00 63.33 H new ATOM 0 HB3 HIS A 104 12.526 9.264 -24.538 1.00 63.33 H new ATOM 0 HD2 HIS A 104 9.074 8.065 -24.696 1.00 54.51 H new ATOM 0 HE1 HIS A 104 11.099 4.837 -22.846 1.00 61.13 H new ATOM 0 HE2 HIS A 104 8.935 5.598 -24.057 1.00 31.34 H new ATOM 1651 N LYS A 105 13.448 11.821 -23.127 1.00 24.20 N ATOM 1652 CA LYS A 105 14.667 12.599 -23.265 1.00 5.52 C ATOM 1653 C LYS A 105 15.123 13.074 -21.884 1.00 1.25 C ATOM 1654 O LYS A 105 14.355 13.698 -21.153 1.00 30.11 O ATOM 1655 CB LYS A 105 14.467 13.735 -24.270 1.00 50.22 C ATOM 1656 CG LYS A 105 13.754 13.234 -25.528 1.00 41.50 C ATOM 1657 CD LYS A 105 14.075 14.123 -26.731 1.00 45.51 C ATOM 1658 CE LYS A 105 12.851 14.288 -27.634 1.00 23.30 C ATOM 1659 NZ LYS A 105 12.645 13.073 -28.453 1.00 71.52 N ATOM 0 H LYS A 105 12.603 12.290 -23.453 1.00 24.20 H new ATOM 0 HA LYS A 105 15.468 11.982 -23.671 1.00 5.52 H new ATOM 0 HB2 LYS A 105 13.884 14.533 -23.811 1.00 50.22 H new ATOM 0 HB3 LYS A 105 15.433 14.161 -24.540 1.00 50.22 H new ATOM 0 HG2 LYS A 105 14.057 12.208 -25.738 1.00 41.50 H new ATOM 0 HG3 LYS A 105 12.677 13.220 -25.359 1.00 41.50 H new ATOM 0 HD2 LYS A 105 14.411 15.101 -26.386 1.00 45.51 H new ATOM 0 HD3 LYS A 105 14.896 13.687 -27.301 1.00 45.51 H new ATOM 0 HE2 LYS A 105 11.966 14.479 -27.026 1.00 23.30 H new ATOM 0 HE3 LYS A 105 12.984 15.153 -28.283 1.00 23.30 H new ATOM 0 HZ1 LYS A 105 11.810 13.201 -29.060 1.00 71.52 H new ATOM 0 HZ2 LYS A 105 13.483 12.908 -29.046 1.00 71.52 H new ATOM 0 HZ3 LYS A 105 12.496 12.255 -27.829 1.00 71.52 H new ATOM 1672 N PRO A 106 16.404 12.753 -21.559 1.00 20.51 N ATOM 1673 CA PRO A 106 16.971 13.139 -20.278 1.00 42.23 C ATOM 1674 C PRO A 106 17.304 14.633 -20.254 1.00 75.42 C ATOM 1675 O PRO A 106 17.548 15.235 -21.299 1.00 21.44 O ATOM 1676 CB PRO A 106 18.196 12.255 -20.107 1.00 52.33 C ATOM 1677 CG PRO A 106 18.534 11.738 -21.496 1.00 52.32 C ATOM 1678 CD PRO A 106 17.343 12.015 -22.399 1.00 72.21 C ATOM 0 HA PRO A 106 16.276 12.998 -19.451 1.00 42.23 H new ATOM 0 HB2 PRO A 106 19.029 12.819 -19.687 1.00 52.33 H new ATOM 0 HB3 PRO A 106 17.991 11.432 -19.423 1.00 52.33 H new ATOM 0 HG2 PRO A 106 19.427 12.231 -21.880 1.00 52.32 H new ATOM 0 HG3 PRO A 106 18.749 10.670 -21.464 1.00 52.32 H new ATOM 0 HD2 PRO A 106 17.635 12.598 -23.272 1.00 72.21 H new ATOM 0 HD3 PRO A 106 16.901 11.089 -22.767 1.00 72.21 H new ATOM 1686 N GLN A 107 17.302 15.187 -19.051 1.00 52.20 N ATOM 1687 CA GLN A 107 17.600 16.599 -18.877 1.00 63.42 C ATOM 1688 C GLN A 107 18.642 16.789 -17.773 1.00 62.21 C ATOM 1689 O GLN A 107 18.360 16.550 -16.600 1.00 74.41 O ATOM 1690 CB GLN A 107 16.329 17.395 -18.574 1.00 62.44 C ATOM 1691 CG GLN A 107 16.664 18.730 -17.907 1.00 64.10 C ATOM 1692 CD GLN A 107 17.698 19.507 -18.724 1.00 42.24 C ATOM 1693 OE1 GLN A 107 17.627 19.597 -19.939 1.00 61.11 O ATOM 1694 NE2 GLN A 107 18.660 20.062 -17.993 1.00 0.44 N ATOM 0 H GLN A 107 17.099 14.684 -18.187 1.00 52.20 H new ATOM 0 HA GLN A 107 18.014 16.981 -19.810 1.00 63.42 H new ATOM 0 HB2 GLN A 107 15.779 17.574 -19.498 1.00 62.44 H new ATOM 0 HB3 GLN A 107 15.677 16.812 -17.923 1.00 62.44 H new ATOM 0 HG2 GLN A 107 15.757 19.325 -17.801 1.00 64.10 H new ATOM 0 HG3 GLN A 107 17.048 18.552 -16.902 1.00 64.10 H new ATOM 0 HE21 GLN A 107 18.660 19.948 -16.979 1.00 0.44 H new ATOM 0 HE22 GLN A 107 19.398 20.602 -18.446 1.00 0.44 H new ATOM 1703 N GLN A 108 19.825 17.217 -18.188 1.00 5.15 N ATOM 1704 CA GLN A 108 20.911 17.442 -17.248 1.00 41.12 C ATOM 1705 C GLN A 108 20.390 18.145 -15.993 1.00 51.02 C ATOM 1706 O GLN A 108 19.294 18.703 -16.000 1.00 34.33 O ATOM 1707 CB GLN A 108 22.040 18.245 -17.897 1.00 62.23 C ATOM 1708 CG GLN A 108 22.175 19.624 -17.249 1.00 50.34 C ATOM 1709 CD GLN A 108 23.261 20.451 -17.941 1.00 54.31 C ATOM 1710 OE1 GLN A 108 23.322 20.551 -19.156 1.00 12.35 O ATOM 1711 NE2 GLN A 108 24.111 21.037 -17.103 1.00 23.52 N ATOM 0 H GLN A 108 20.056 17.414 -19.162 1.00 5.15 H new ATOM 0 HA GLN A 108 21.319 16.474 -16.956 1.00 41.12 H new ATOM 0 HB2 GLN A 108 22.980 17.701 -17.801 1.00 62.23 H new ATOM 0 HB3 GLN A 108 21.844 18.358 -18.963 1.00 62.23 H new ATOM 0 HG2 GLN A 108 21.222 20.150 -17.303 1.00 50.34 H new ATOM 0 HG3 GLN A 108 22.417 19.511 -16.192 1.00 50.34 H new ATOM 0 HE21 GLN A 108 24.003 20.912 -16.097 1.00 23.52 H new ATOM 0 HE22 GLN A 108 24.871 21.612 -17.467 1.00 23.52 H new ATOM 1720 N ILE A 109 21.200 18.095 -14.946 1.00 44.52 N ATOM 1721 CA ILE A 109 20.835 18.721 -13.687 1.00 32.45 C ATOM 1722 C ILE A 109 22.067 19.397 -13.081 1.00 55.15 C ATOM 1723 O ILE A 109 22.984 18.723 -12.616 1.00 32.31 O ATOM 1724 CB ILE A 109 20.173 17.703 -12.756 1.00 34.24 C ATOM 1725 CG1 ILE A 109 19.154 16.849 -13.513 1.00 70.41 C ATOM 1726 CG2 ILE A 109 19.550 18.395 -11.541 1.00 23.50 C ATOM 1727 CD1 ILE A 109 17.894 17.655 -13.836 1.00 23.21 C ATOM 0 H ILE A 109 22.108 17.630 -14.944 1.00 44.52 H new ATOM 0 HA ILE A 109 20.092 19.501 -13.851 1.00 32.45 H new ATOM 0 HB ILE A 109 20.945 17.029 -12.383 1.00 34.24 H new ATOM 0 HG12 ILE A 109 19.599 16.478 -14.436 1.00 70.41 H new ATOM 0 HG13 ILE A 109 18.889 15.977 -12.915 1.00 70.41 H new ATOM 0 HG21 ILE A 109 19.086 17.649 -10.896 1.00 23.50 H new ATOM 0 HG22 ILE A 109 20.325 18.923 -10.986 1.00 23.50 H new ATOM 0 HG23 ILE A 109 18.794 19.106 -11.875 1.00 23.50 H new ATOM 0 HD11 ILE A 109 17.187 17.024 -14.374 1.00 23.21 H new ATOM 0 HD12 ILE A 109 17.438 18.004 -12.910 1.00 23.21 H new ATOM 0 HD13 ILE A 109 18.159 18.512 -14.455 1.00 23.21 H new ATOM 1739 N PRO A 110 22.047 20.757 -13.109 1.00 21.35 N ATOM 1740 CA PRO A 110 23.151 21.532 -12.568 1.00 71.14 C ATOM 1741 C PRO A 110 23.127 21.527 -11.039 1.00 3.54 C ATOM 1742 O PRO A 110 22.101 21.228 -10.431 1.00 33.21 O ATOM 1743 CB PRO A 110 22.983 22.921 -13.161 1.00 51.41 C ATOM 1744 CG PRO A 110 21.541 23.000 -13.636 1.00 42.42 C ATOM 1745 CD PRO A 110 20.978 21.589 -13.652 1.00 34.11 C ATOM 0 HA PRO A 110 24.125 21.117 -12.829 1.00 71.14 H new ATOM 0 HB2 PRO A 110 23.192 23.691 -12.418 1.00 51.41 H new ATOM 0 HB3 PRO A 110 23.676 23.079 -13.988 1.00 51.41 H new ATOM 0 HG2 PRO A 110 20.955 23.637 -12.974 1.00 42.42 H new ATOM 0 HG3 PRO A 110 21.490 23.443 -14.631 1.00 42.42 H new ATOM 0 HD2 PRO A 110 20.074 21.517 -13.047 1.00 34.11 H new ATOM 0 HD3 PRO A 110 20.711 21.281 -14.663 1.00 34.11 H new ATOM 1753 N ILE A 111 24.271 21.864 -10.460 1.00 71.50 N ATOM 1754 CA ILE A 111 24.394 21.902 -9.013 1.00 3.33 C ATOM 1755 C ILE A 111 23.541 23.047 -8.463 1.00 32.21 C ATOM 1756 O ILE A 111 23.395 24.083 -9.109 1.00 51.13 O ATOM 1757 CB ILE A 111 25.866 21.981 -8.602 1.00 62.35 C ATOM 1758 CG1 ILE A 111 26.693 20.912 -9.320 1.00 20.43 C ATOM 1759 CG2 ILE A 111 26.017 21.898 -7.082 1.00 72.51 C ATOM 1760 CD1 ILE A 111 26.097 19.519 -9.101 1.00 41.52 C ATOM 0 H ILE A 111 25.120 22.113 -10.967 1.00 71.50 H new ATOM 0 HA ILE A 111 24.013 20.980 -8.574 1.00 3.33 H new ATOM 0 HB ILE A 111 26.255 22.951 -8.911 1.00 62.35 H new ATOM 0 HG12 ILE A 111 26.731 21.132 -10.387 1.00 20.43 H new ATOM 0 HG13 ILE A 111 27.719 20.934 -8.954 1.00 20.43 H new ATOM 0 HG21 ILE A 111 27.073 21.957 -6.818 1.00 72.51 H new ATOM 0 HG22 ILE A 111 25.480 22.725 -6.617 1.00 72.51 H new ATOM 0 HG23 ILE A 111 25.606 20.953 -6.727 1.00 72.51 H new ATOM 0 HD11 ILE A 111 26.703 18.778 -9.622 1.00 41.52 H new ATOM 0 HD12 ILE A 111 26.083 19.293 -8.035 1.00 41.52 H new ATOM 0 HD13 ILE A 111 25.079 19.493 -9.490 1.00 41.52 H new ATOM 1772 N ASP A 112 22.999 22.821 -7.275 1.00 62.20 N ATOM 1773 CA ASP A 112 22.164 23.820 -6.631 1.00 0.21 C ATOM 1774 C ASP A 112 20.938 24.094 -7.505 1.00 3.25 C ATOM 1775 O ASP A 112 20.232 25.080 -7.298 1.00 44.22 O ATOM 1776 CB ASP A 112 22.921 25.138 -6.451 1.00 72.35 C ATOM 1777 CG ASP A 112 23.682 25.272 -5.131 1.00 60.40 C ATOM 1778 OD1 ASP A 112 24.699 24.598 -4.909 1.00 32.52 O ATOM 1779 OD2 ASP A 112 23.184 26.122 -4.299 1.00 3.23 O ATOM 0 H ASP A 112 23.122 21.960 -6.742 1.00 62.20 H new ATOM 0 HA ASP A 112 21.872 23.436 -5.654 1.00 0.21 H new ATOM 0 HB2 ASP A 112 23.628 25.249 -7.273 1.00 72.35 H new ATOM 0 HB3 ASP A 112 22.211 25.961 -6.528 1.00 72.35 H new ATOM 1785 N SER A 113 20.723 23.204 -8.462 1.00 12.11 N ATOM 1786 CA SER A 113 19.595 23.338 -9.368 1.00 34.42 C ATOM 1787 C SER A 113 18.290 23.043 -8.625 1.00 74.14 C ATOM 1788 O SER A 113 18.284 22.904 -7.403 1.00 43.22 O ATOM 1789 CB SER A 113 19.742 22.406 -10.572 1.00 61.23 C ATOM 1790 OG SER A 113 18.580 22.412 -11.397 1.00 43.05 O ATOM 0 H SER A 113 21.311 22.387 -8.630 1.00 12.11 H new ATOM 0 HA SER A 113 19.572 24.363 -9.737 1.00 34.42 H new ATOM 0 HB2 SER A 113 20.607 22.709 -11.162 1.00 61.23 H new ATOM 0 HB3 SER A 113 19.934 21.391 -10.224 1.00 61.23 H new ATOM 0 HG SER A 113 18.737 22.981 -12.179 1.00 43.05 H new ATOM 1796 N THR A 114 17.215 22.956 -9.395 1.00 71.12 N ATOM 1797 CA THR A 114 15.907 22.680 -8.826 1.00 12.22 C ATOM 1798 C THR A 114 15.000 22.022 -9.867 1.00 52.04 C ATOM 1799 O THR A 114 14.828 22.547 -10.966 1.00 71.15 O ATOM 1800 CB THR A 114 15.346 23.992 -8.273 1.00 74.14 C ATOM 1801 OG1 THR A 114 16.243 24.338 -7.222 1.00 34.44 O ATOM 1802 CG2 THR A 114 14.001 23.803 -7.569 1.00 35.20 C ATOM 0 H THR A 114 17.223 23.072 -10.408 1.00 71.12 H new ATOM 0 HA THR A 114 15.976 21.967 -8.004 1.00 12.22 H new ATOM 0 HB THR A 114 15.232 24.709 -9.086 1.00 74.14 H new ATOM 0 HG1 THR A 114 16.335 23.580 -6.608 1.00 34.44 H new ATOM 0 HG21 THR A 114 13.648 24.764 -7.196 1.00 35.20 H new ATOM 0 HG22 THR A 114 13.275 23.398 -8.274 1.00 35.20 H new ATOM 0 HG23 THR A 114 14.121 23.112 -6.735 1.00 35.20 H new ATOM 1810 N VAL A 115 14.443 20.882 -9.485 1.00 2.21 N ATOM 1811 CA VAL A 115 13.558 20.147 -10.372 1.00 61.21 C ATOM 1812 C VAL A 115 12.191 19.988 -9.705 1.00 15.35 C ATOM 1813 O VAL A 115 12.096 19.937 -8.479 1.00 41.22 O ATOM 1814 CB VAL A 115 14.195 18.809 -10.756 1.00 14.34 C ATOM 1815 CG1 VAL A 115 15.607 18.690 -10.181 1.00 25.32 C ATOM 1816 CG2 VAL A 115 13.319 17.637 -10.308 1.00 3.12 C ATOM 0 H VAL A 115 14.588 20.449 -8.573 1.00 2.21 H new ATOM 0 HA VAL A 115 13.405 20.697 -11.300 1.00 61.21 H new ATOM 0 HB VAL A 115 14.272 18.773 -11.843 1.00 14.34 H new ATOM 0 HG11 VAL A 115 16.037 17.731 -10.468 1.00 25.32 H new ATOM 0 HG12 VAL A 115 16.228 19.497 -10.570 1.00 25.32 H new ATOM 0 HG13 VAL A 115 15.564 18.757 -9.094 1.00 25.32 H new ATOM 0 HG21 VAL A 115 13.794 16.698 -10.593 1.00 3.12 H new ATOM 0 HG22 VAL A 115 13.196 17.668 -9.225 1.00 3.12 H new ATOM 0 HG23 VAL A 115 12.342 17.709 -10.786 1.00 3.12 H new ATOM 1826 N SER A 116 11.165 19.915 -10.540 1.00 12.10 N ATOM 1827 CA SER A 116 9.807 19.764 -10.046 1.00 73.51 C ATOM 1828 C SER A 116 9.017 18.829 -10.965 1.00 51.31 C ATOM 1829 O SER A 116 8.746 19.168 -12.116 1.00 15.31 O ATOM 1830 CB SER A 116 9.106 21.119 -9.938 1.00 14.11 C ATOM 1831 OG SER A 116 8.709 21.618 -11.212 1.00 51.24 O ATOM 0 H SER A 116 11.247 19.958 -11.556 1.00 12.10 H new ATOM 0 HA SER A 116 9.853 19.329 -9.048 1.00 73.51 H new ATOM 0 HB2 SER A 116 8.230 21.024 -9.297 1.00 14.11 H new ATOM 0 HB3 SER A 116 9.774 21.836 -9.460 1.00 14.11 H new ATOM 0 HG SER A 116 8.382 20.878 -11.765 1.00 51.24 H new ATOM 1837 N PHE A 117 8.670 17.672 -10.422 1.00 63.52 N ATOM 1838 CA PHE A 117 7.917 16.686 -11.179 1.00 21.11 C ATOM 1839 C PHE A 117 6.476 17.149 -11.401 1.00 11.30 C ATOM 1840 O PHE A 117 5.963 17.975 -10.648 1.00 15.05 O ATOM 1841 CB PHE A 117 7.905 15.400 -10.350 1.00 73.12 C ATOM 1842 CG PHE A 117 9.195 14.584 -10.448 1.00 45.12 C ATOM 1843 CD1 PHE A 117 10.401 15.211 -10.400 1.00 24.14 C ATOM 1844 CD2 PHE A 117 9.137 13.232 -10.584 1.00 13.11 C ATOM 1845 CE1 PHE A 117 11.599 14.454 -10.490 1.00 63.35 C ATOM 1846 CE2 PHE A 117 10.335 12.475 -10.675 1.00 34.02 C ATOM 1847 CZ PHE A 117 11.541 13.102 -10.626 1.00 74.31 C ATOM 0 H PHE A 117 8.896 17.395 -9.467 1.00 63.52 H new ATOM 0 HA PHE A 117 8.377 16.536 -12.156 1.00 21.11 H new ATOM 0 HB2 PHE A 117 7.727 15.655 -9.305 1.00 73.12 H new ATOM 0 HB3 PHE A 117 7.069 14.779 -10.673 1.00 73.12 H new ATOM 0 HD1 PHE A 117 10.447 16.285 -10.293 1.00 24.14 H new ATOM 0 HD2 PHE A 117 8.179 12.734 -10.623 1.00 13.11 H new ATOM 0 HE1 PHE A 117 12.557 14.952 -10.450 1.00 63.35 H new ATOM 0 HE2 PHE A 117 10.289 11.401 -10.783 1.00 34.02 H new ATOM 0 HZ PHE A 117 12.452 12.526 -10.695 1.00 74.31 H new ATOM 1922 N ALA A 123 10.617 20.419 -5.083 1.00 4.13 N ATOM 1923 CA ALA A 123 11.634 21.211 -5.754 1.00 70.24 C ATOM 1924 C ALA A 123 13.008 20.588 -5.503 1.00 24.52 C ATOM 1925 O ALA A 123 13.879 21.217 -4.904 1.00 21.23 O ATOM 1926 CB ALA A 123 11.554 22.660 -5.272 1.00 11.44 C ATOM 0 HA ALA A 123 11.467 21.216 -6.831 1.00 70.24 H new ATOM 0 HB1 ALA A 123 12.317 23.254 -5.776 1.00 11.44 H new ATOM 0 HB2 ALA A 123 10.569 23.066 -5.501 1.00 11.44 H new ATOM 0 HB3 ALA A 123 11.719 22.695 -4.195 1.00 11.44 H new ATOM 1932 N TYR A 124 13.160 19.358 -5.973 1.00 43.31 N ATOM 1933 CA TYR A 124 14.414 18.643 -5.807 1.00 21.13 C ATOM 1934 C TYR A 124 15.604 19.528 -6.182 1.00 4.12 C ATOM 1935 O TYR A 124 15.768 19.895 -7.344 1.00 53.14 O ATOM 1936 CB TYR A 124 14.353 17.456 -6.770 1.00 22.33 C ATOM 1937 CG TYR A 124 13.204 16.486 -6.490 1.00 34.33 C ATOM 1938 CD1 TYR A 124 12.435 16.637 -5.354 1.00 34.55 C ATOM 1939 CD2 TYR A 124 12.936 15.460 -7.373 1.00 75.02 C ATOM 1940 CE1 TYR A 124 11.353 15.724 -5.090 1.00 74.40 C ATOM 1941 CE2 TYR A 124 11.853 14.547 -7.110 1.00 5.13 C ATOM 1942 CZ TYR A 124 11.115 14.724 -5.981 1.00 44.02 C ATOM 1943 OH TYR A 124 10.093 13.862 -5.732 1.00 65.23 O ATOM 0 H TYR A 124 12.435 18.839 -6.469 1.00 43.31 H new ATOM 0 HA TYR A 124 14.545 18.334 -4.770 1.00 21.13 H new ATOM 0 HB2 TYR A 124 14.257 17.832 -7.789 1.00 22.33 H new ATOM 0 HB3 TYR A 124 15.296 16.911 -6.719 1.00 22.33 H new ATOM 0 HD1 TYR A 124 12.645 17.440 -4.663 1.00 34.55 H new ATOM 0 HD2 TYR A 124 13.538 15.341 -8.262 1.00 75.02 H new ATOM 0 HE1 TYR A 124 10.744 15.831 -4.204 1.00 74.40 H new ATOM 0 HE2 TYR A 124 11.632 13.741 -7.794 1.00 5.13 H new ATOM 0 HH TYR A 124 9.811 13.950 -4.798 1.00 65.23 H new ATOM 1953 N THR A 125 16.405 19.845 -5.175 1.00 44.32 N ATOM 1954 CA THR A 125 17.576 20.680 -5.385 1.00 11.52 C ATOM 1955 C THR A 125 18.848 19.831 -5.359 1.00 43.42 C ATOM 1956 O THR A 125 19.359 19.505 -4.289 1.00 65.42 O ATOM 1957 CB THR A 125 17.562 21.787 -4.328 1.00 44.03 C ATOM 1958 OG1 THR A 125 16.671 22.764 -4.860 1.00 22.42 O ATOM 1959 CG2 THR A 125 18.902 22.519 -4.230 1.00 42.42 C ATOM 0 H THR A 125 16.266 19.539 -4.212 1.00 44.32 H new ATOM 0 HA THR A 125 17.557 21.149 -6.369 1.00 11.52 H new ATOM 0 HB THR A 125 17.310 21.359 -3.358 1.00 44.03 H new ATOM 0 HG1 THR A 125 15.769 22.386 -4.919 1.00 22.42 H new ATOM 0 HG21 THR A 125 18.838 23.294 -3.466 1.00 42.42 H new ATOM 0 HG22 THR A 125 19.685 21.810 -3.963 1.00 42.42 H new ATOM 0 HG23 THR A 125 19.138 22.976 -5.191 1.00 42.42 H new ATOM 1967 N LEU A 126 19.323 19.498 -6.550 1.00 41.24 N ATOM 1968 CA LEU A 126 20.526 18.693 -6.678 1.00 41.42 C ATOM 1969 C LEU A 126 21.731 19.506 -6.200 1.00 63.15 C ATOM 1970 O LEU A 126 22.133 20.469 -6.852 1.00 70.31 O ATOM 1971 CB LEU A 126 20.668 18.165 -8.107 1.00 51.01 C ATOM 1972 CG LEU A 126 22.022 17.547 -8.462 1.00 52.03 C ATOM 1973 CD1 LEU A 126 23.027 18.626 -8.870 1.00 72.02 C ATOM 1974 CD2 LEU A 126 22.546 16.679 -7.316 1.00 50.25 C ATOM 0 H LEU A 126 18.896 19.771 -7.435 1.00 41.24 H new ATOM 0 HA LEU A 126 20.463 17.810 -6.042 1.00 41.42 H new ATOM 0 HB2 LEU A 126 19.894 17.416 -8.275 1.00 51.01 H new ATOM 0 HB3 LEU A 126 20.473 18.986 -8.797 1.00 51.01 H new ATOM 0 HG LEU A 126 21.884 16.894 -9.323 1.00 52.03 H new ATOM 0 HD11 LEU A 126 23.981 18.160 -9.117 1.00 72.02 H new ATOM 0 HD12 LEU A 126 22.650 19.164 -9.740 1.00 72.02 H new ATOM 0 HD13 LEU A 126 23.167 19.324 -8.044 1.00 72.02 H new ATOM 0 HD21 LEU A 126 23.509 16.252 -7.594 1.00 50.25 H new ATOM 0 HD22 LEU A 126 22.665 17.290 -6.421 1.00 50.25 H new ATOM 0 HD23 LEU A 126 21.837 15.876 -7.115 1.00 50.25 H new ATOM 1986 N ARG A 127 22.274 19.088 -5.067 1.00 3.05 N ATOM 1987 CA ARG A 127 23.425 19.765 -4.494 1.00 25.01 C ATOM 1988 C ARG A 127 24.710 19.005 -4.831 1.00 40.43 C ATOM 1989 O ARG A 127 24.687 18.057 -5.615 1.00 2.51 O ATOM 1990 CB ARG A 127 23.295 19.883 -2.974 1.00 43.11 C ATOM 1991 CG ARG A 127 23.500 21.329 -2.517 1.00 21.21 C ATOM 1992 CD ARG A 127 22.300 22.199 -2.895 1.00 72.24 C ATOM 1993 NE ARG A 127 21.196 21.985 -1.933 1.00 60.20 N ATOM 1994 CZ ARG A 127 21.075 22.645 -0.762 1.00 33.35 C ATOM 1995 NH1 ARG A 127 21.990 23.568 -0.397 1.00 61.40 N ATOM 1996 NH2 ARG A 127 20.048 22.374 0.022 1.00 32.33 N ATOM 0 H ARG A 127 21.938 18.289 -4.530 1.00 3.05 H new ATOM 0 HA ARG A 127 23.467 20.766 -4.923 1.00 25.01 H new ATOM 0 HB2 ARG A 127 22.310 19.535 -2.662 1.00 43.11 H new ATOM 0 HB3 ARG A 127 24.029 19.238 -2.491 1.00 43.11 H new ATOM 0 HG2 ARG A 127 23.647 21.355 -1.437 1.00 21.21 H new ATOM 0 HG3 ARG A 127 24.404 21.733 -2.972 1.00 21.21 H new ATOM 0 HD2 ARG A 127 22.590 23.250 -2.901 1.00 72.24 H new ATOM 0 HD3 ARG A 127 21.967 21.955 -3.904 1.00 72.24 H new ATOM 0 HE ARG A 127 20.482 21.296 -2.170 1.00 60.20 H new ATOM 0 HH11 ARG A 127 22.781 23.772 -1.008 1.00 61.40 H new ATOM 0 HH12 ARG A 127 21.890 24.062 0.490 1.00 61.40 H new ATOM 0 HH21 ARG A 127 19.361 21.675 -0.261 1.00 32.33 H new ATOM 0 HH22 ARG A 127 19.941 22.864 0.910 1.00 32.33 H new ATOM 2009 N GLU A 128 25.800 19.450 -4.223 1.00 52.11 N ATOM 2010 CA GLU A 128 27.091 18.824 -4.449 1.00 44.02 C ATOM 2011 C GLU A 128 28.034 19.115 -3.280 1.00 23.00 C ATOM 2012 O GLU A 128 28.525 20.234 -3.137 1.00 34.00 O ATOM 2013 CB GLU A 128 27.701 19.288 -5.774 1.00 21.33 C ATOM 2014 CG GLU A 128 29.178 18.900 -5.863 1.00 24.31 C ATOM 2015 CD GLU A 128 29.668 18.934 -7.312 1.00 52.21 C ATOM 2016 OE1 GLU A 128 29.435 19.924 -8.022 1.00 2.35 O ATOM 2017 OE2 GLU A 128 30.312 17.884 -7.695 1.00 42.41 O ATOM 0 H GLU A 128 25.815 20.237 -3.574 1.00 52.11 H new ATOM 0 HA GLU A 128 26.944 17.746 -4.512 1.00 44.02 H new ATOM 0 HB2 GLU A 128 27.154 18.844 -6.606 1.00 21.33 H new ATOM 0 HB3 GLU A 128 27.599 20.369 -5.867 1.00 21.33 H new ATOM 0 HG2 GLU A 128 29.774 19.583 -5.258 1.00 24.31 H new ATOM 0 HG3 GLU A 128 29.321 17.901 -5.451 1.00 24.31 H new ATOM 2025 N LYS A 129 28.260 18.088 -2.474 1.00 12.24 N ATOM 2026 CA LYS A 129 29.135 18.220 -1.321 1.00 63.34 C ATOM 2027 C LYS A 129 30.313 19.128 -1.682 1.00 34.01 C ATOM 2028 O LYS A 129 31.283 18.680 -2.291 1.00 52.31 O ATOM 2029 CB LYS A 129 29.557 16.841 -0.809 1.00 14.25 C ATOM 2030 CG LYS A 129 28.345 16.044 -0.321 1.00 62.43 C ATOM 2031 CD LYS A 129 28.770 14.676 0.217 1.00 13.05 C ATOM 2032 CE LYS A 129 29.940 14.811 1.194 1.00 33.31 C ATOM 2033 NZ LYS A 129 31.220 14.911 0.458 1.00 20.14 N ATOM 0 H LYS A 129 27.853 17.161 -2.596 1.00 12.24 H new ATOM 0 HA LYS A 129 28.607 18.695 -0.494 1.00 63.34 H new ATOM 0 HB2 LYS A 129 30.062 16.292 -1.604 1.00 14.25 H new ATOM 0 HB3 LYS A 129 30.274 16.955 0.004 1.00 14.25 H new ATOM 0 HG2 LYS A 129 27.829 16.602 0.460 1.00 62.43 H new ATOM 0 HG3 LYS A 129 27.637 15.913 -1.140 1.00 62.43 H new ATOM 0 HD2 LYS A 129 27.927 14.200 0.717 1.00 13.05 H new ATOM 0 HD3 LYS A 129 29.056 14.028 -0.612 1.00 13.05 H new ATOM 0 HE2 LYS A 129 29.802 15.695 1.817 1.00 33.31 H new ATOM 0 HE3 LYS A 129 29.964 13.951 1.863 1.00 33.31 H new ATOM 0 HZ1 LYS A 129 31.964 15.252 1.100 1.00 20.14 H new ATOM 0 HZ2 LYS A 129 31.483 13.974 0.090 1.00 20.14 H new ATOM 0 HZ3 LYS A 129 31.114 15.577 -0.334 1.00 20.14 H new ATOM 2046 N PRO A 130 30.185 20.421 -1.280 1.00 22.13 N ATOM 2047 CA PRO A 130 31.227 21.396 -1.554 1.00 11.11 C ATOM 2048 C PRO A 130 32.428 21.190 -0.629 1.00 11.34 C ATOM 2049 O PRO A 130 32.579 20.127 -0.029 1.00 11.24 O ATOM 2050 CB PRO A 130 30.559 22.748 -1.368 1.00 15.51 C ATOM 2051 CG PRO A 130 29.305 22.485 -0.549 1.00 24.01 C ATOM 2052 CD PRO A 130 29.050 20.987 -0.556 1.00 64.41 C ATOM 0 HA PRO A 130 31.636 21.304 -2.560 1.00 11.11 H new ATOM 0 HB2 PRO A 130 31.222 23.444 -0.854 1.00 15.51 H new ATOM 0 HB3 PRO A 130 30.310 23.196 -2.330 1.00 15.51 H new ATOM 0 HG2 PRO A 130 29.433 22.846 0.472 1.00 24.01 H new ATOM 0 HG3 PRO A 130 28.454 23.019 -0.972 1.00 24.01 H new ATOM 0 HD2 PRO A 130 28.990 20.591 0.458 1.00 64.41 H new ATOM 0 HD3 PRO A 130 28.107 20.748 -1.048 1.00 64.41 H new