USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=30 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 -11:sc= 0.365! USER MOD Set 1.2: A 125 THR OG1 : rot 62:sc= 0.341 USER MOD Set 2.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 91 THR OG1 : rot -170:sc=-0.00287 USER MOD Set 2.3: A 92 HIS : no HE2:sc= -7! C(o=-7!,f=-9.5!) USER MOD Set 3.1: A 71 HIS : no HD1:sc= -7.7! C(o=-8.9!,f=-11!) USER MOD Set 3.2: A 90 SER OG : rot -180:sc= -2.33! USER MOD Set 3.3: A 94 THR OG1 : rot 97:sc= 1.09 USER MOD Set 4.1: A 77 HIS :FLIP no HE2:sc= -9.35! C(o=-17!,f=-13!) USER MOD Set 4.2: A 79 HIS : no HE2:sc= -3.47! C(o=-13!,f=-15!) USER MOD Set 5.1: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 36 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00226) USER MOD Single : A 18 THR OG1 : rot -44:sc= 0.0708 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -2.23 F(o=-3.7!,f=-2.2) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -143:sc= -1.7! (180deg=-2.69!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.46) USER MOD Single : A 58 CYS SG : rot 135:sc= -4.15! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0289 K(o=-0.029,f=-1.2) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -6.97! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 0:sc= -2.03 USER MOD Single : A 78 LYS NZ :NH3+ -143:sc= 0.483 (180deg=-3.24!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN :FLIP amide:sc= -2.21! C(o=-3.8!,f=-2.2!) USER MOD Single : A 98 HIS :FLIP no HE2:sc= -0.739 F(o=-2.1!,f=-0.74) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -2.82! C(o=-3.7!,f=-2.8!) USER MOD Single : A 105 LYS NZ :NH3+ 139:sc= 0.0455 (180deg=0) USER MOD Single : A 107 GLN :FLIP amide:sc= -1.8 F(o=-2.4,f=-1.8) USER MOD Single : A 108 GLN : amide:sc= -0.717 K(o=-0.72,f=-2.3) USER MOD Single : A 113 SER OG : rot 100:sc= -3.41! USER MOD Single : A 116 SER OG : rot 49:sc= 0.708 USER MOD Single : A 124 TYR OH : rot 4:sc= -0.366 USER MOD Single : A 129 LYS NZ :NH3+ 179:sc= -3.03! (180deg=-3.07!) USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 17 21.675 4.656 -19.617 1.00 52.22 N ATOM 215 CA PRO A 17 22.249 5.004 -20.905 1.00 43.55 C ATOM 216 C PRO A 17 23.695 4.515 -21.011 1.00 42.24 C ATOM 217 O PRO A 17 24.116 3.643 -20.253 1.00 62.12 O ATOM 218 CB PRO A 17 22.126 6.517 -20.995 1.00 72.34 C ATOM 219 CG PRO A 17 21.915 7.003 -19.571 1.00 4.22 C ATOM 220 CD PRO A 17 21.567 5.798 -18.713 1.00 62.42 C ATOM 0 HA PRO A 17 21.734 4.525 -21.738 1.00 43.55 H new ATOM 0 HB2 PRO A 17 23.024 6.957 -21.429 1.00 72.34 H new ATOM 0 HB3 PRO A 17 21.290 6.804 -21.633 1.00 72.34 H new ATOM 0 HG2 PRO A 17 22.815 7.491 -19.197 1.00 4.22 H new ATOM 0 HG3 PRO A 17 21.114 7.741 -19.535 1.00 4.22 H new ATOM 0 HD2 PRO A 17 22.251 5.702 -17.870 1.00 62.42 H new ATOM 0 HD3 PRO A 17 20.562 5.883 -18.300 1.00 62.42 H new ATOM 228 N THR A 18 24.416 5.098 -21.958 1.00 53.40 N ATOM 229 CA THR A 18 25.805 4.733 -22.173 1.00 25.11 C ATOM 230 C THR A 18 26.728 5.883 -21.766 1.00 4.14 C ATOM 231 O THR A 18 27.950 5.740 -21.785 1.00 10.21 O ATOM 232 CB THR A 18 25.964 4.316 -23.636 1.00 71.23 C ATOM 233 OG1 THR A 18 27.124 3.488 -23.638 1.00 33.02 O ATOM 234 CG2 THR A 18 26.343 5.489 -24.542 1.00 54.40 C ATOM 0 H THR A 18 24.063 5.821 -22.585 1.00 53.40 H new ATOM 0 HA THR A 18 26.093 3.889 -21.546 1.00 25.11 H new ATOM 0 HB THR A 18 25.034 3.871 -23.988 1.00 71.23 H new ATOM 0 HG1 THR A 18 27.822 3.901 -23.088 1.00 33.02 H new ATOM 0 HG21 THR A 18 26.443 5.138 -25.569 1.00 54.40 H new ATOM 0 HG22 THR A 18 25.566 6.252 -24.494 1.00 54.40 H new ATOM 0 HG23 THR A 18 27.290 5.914 -24.210 1.00 54.40 H new ATOM 242 N TRP A 19 26.109 6.998 -21.406 1.00 72.33 N ATOM 243 CA TRP A 19 26.859 8.172 -20.995 1.00 24.01 C ATOM 244 C TRP A 19 26.983 8.144 -19.470 1.00 71.02 C ATOM 245 O TRP A 19 27.645 8.997 -18.882 1.00 0.33 O ATOM 246 CB TRP A 19 26.205 9.452 -21.518 1.00 70.03 C ATOM 247 CG TRP A 19 24.678 9.384 -21.594 1.00 3.40 C ATOM 248 CD1 TRP A 19 23.922 8.888 -22.583 1.00 5.20 C ATOM 249 CD2 TRP A 19 23.746 9.851 -20.595 1.00 65.15 C ATOM 250 NE1 TRP A 19 22.577 9.000 -22.296 1.00 41.44 N ATOM 251 CE2 TRP A 19 22.467 9.604 -21.049 1.00 52.32 C ATOM 252 CE3 TRP A 19 23.977 10.461 -19.350 1.00 24.11 C ATOM 253 CZ2 TRP A 19 21.318 9.935 -20.321 1.00 0.23 C ATOM 254 CZ3 TRP A 19 22.819 10.786 -18.634 1.00 72.40 C ATOM 255 CH2 TRP A 19 21.524 10.544 -19.077 1.00 14.10 C ATOM 0 H TRP A 19 25.096 7.113 -21.391 1.00 72.33 H new ATOM 0 HA TRP A 19 27.860 8.160 -21.426 1.00 24.01 H new ATOM 0 HB2 TRP A 19 26.490 10.283 -20.873 1.00 70.03 H new ATOM 0 HB3 TRP A 19 26.599 9.670 -22.511 1.00 70.03 H new ATOM 0 HD1 TRP A 19 24.316 8.455 -23.491 1.00 5.20 H new ATOM 0 HE1 TRP A 19 21.805 8.696 -22.890 1.00 41.44 H new ATOM 0 HE3 TRP A 19 24.970 10.663 -18.975 1.00 24.11 H new ATOM 0 HZ2 TRP A 19 20.327 9.732 -20.698 1.00 0.23 H new ATOM 0 HZ3 TRP A 19 22.940 11.258 -17.670 1.00 72.40 H new ATOM 0 HH2 TRP A 19 20.680 10.825 -18.464 1.00 14.10 H new ATOM 266 N ALA A 20 26.335 7.154 -18.874 1.00 71.01 N ATOM 267 CA ALA A 20 26.364 7.004 -17.429 1.00 72.51 C ATOM 268 C ALA A 20 27.700 6.385 -17.012 1.00 14.13 C ATOM 269 O ALA A 20 28.233 5.522 -17.707 1.00 55.15 O ATOM 270 CB ALA A 20 25.167 6.164 -16.979 1.00 74.10 C ATOM 0 H ALA A 20 25.787 6.448 -19.365 1.00 71.01 H new ATOM 0 HA ALA A 20 26.283 7.975 -16.940 1.00 72.51 H new ATOM 0 HB1 ALA A 20 25.189 6.051 -15.895 1.00 74.10 H new ATOM 0 HB2 ALA A 20 24.243 6.661 -17.274 1.00 74.10 H new ATOM 0 HB3 ALA A 20 25.216 5.181 -17.447 1.00 74.10 H new ATOM 276 N GLY A 21 28.202 6.851 -15.878 1.00 21.23 N ATOM 277 CA GLY A 21 29.465 6.354 -15.359 1.00 45.33 C ATOM 278 C GLY A 21 29.368 6.067 -13.860 1.00 11.14 C ATOM 279 O GLY A 21 28.564 5.240 -13.433 1.00 72.34 O ATOM 0 H GLY A 21 27.757 7.567 -15.304 1.00 21.23 H new ATOM 0 HA2 GLY A 21 29.747 5.444 -15.889 1.00 45.33 H new ATOM 0 HA3 GLY A 21 30.251 7.087 -15.542 1.00 45.33 H new ATOM 283 N LYS A 22 30.198 6.767 -13.100 1.00 62.14 N ATOM 284 CA LYS A 22 30.216 6.598 -11.657 1.00 74.53 C ATOM 285 C LYS A 22 30.485 7.949 -10.993 1.00 1.12 C ATOM 286 O LYS A 22 31.544 8.542 -11.191 1.00 41.33 O ATOM 287 CB LYS A 22 31.211 5.506 -11.258 1.00 1.51 C ATOM 288 CG LYS A 22 31.752 5.747 -9.847 1.00 14.31 C ATOM 289 CD LYS A 22 33.109 6.452 -9.893 1.00 11.14 C ATOM 290 CE LYS A 22 34.254 5.438 -9.874 1.00 62.13 C ATOM 291 NZ LYS A 22 35.478 6.048 -9.309 1.00 42.51 N ATOM 0 H LYS A 22 30.863 7.453 -13.457 1.00 62.14 H new ATOM 0 HA LYS A 22 29.244 6.256 -11.301 1.00 74.53 H new ATOM 0 HB2 LYS A 22 30.725 4.532 -11.303 1.00 1.51 H new ATOM 0 HB3 LYS A 22 32.037 5.484 -11.969 1.00 1.51 H new ATOM 0 HG2 LYS A 22 31.043 6.351 -9.280 1.00 14.31 H new ATOM 0 HG3 LYS A 22 31.850 4.796 -9.324 1.00 14.31 H new ATOM 0 HD2 LYS A 22 33.175 7.064 -10.793 1.00 11.14 H new ATOM 0 HD3 LYS A 22 33.202 7.126 -9.042 1.00 11.14 H new ATOM 0 HE2 LYS A 22 33.968 4.569 -9.282 1.00 62.13 H new ATOM 0 HE3 LYS A 22 34.451 5.084 -10.886 1.00 62.13 H new ATOM 0 HZ1 LYS A 22 36.245 5.346 -9.304 1.00 42.51 H new ATOM 0 HZ2 LYS A 22 35.759 6.864 -9.890 1.00 42.51 H new ATOM 0 HZ3 LYS A 22 35.291 6.364 -8.336 1.00 42.51 H new ATOM 304 N PRO A 23 29.482 8.408 -10.197 1.00 5.31 N ATOM 305 CA PRO A 23 29.601 9.679 -9.502 1.00 31.21 C ATOM 306 C PRO A 23 30.545 9.563 -8.304 1.00 25.51 C ATOM 307 O PRO A 23 30.583 8.530 -7.637 1.00 4.05 O ATOM 308 CB PRO A 23 28.180 10.044 -9.105 1.00 31.12 C ATOM 309 CG PRO A 23 27.381 8.753 -9.179 1.00 65.51 C ATOM 310 CD PRO A 23 28.214 7.733 -9.938 1.00 63.34 C ATOM 0 HA PRO A 23 30.040 10.459 -10.124 1.00 31.21 H new ATOM 0 HB2 PRO A 23 28.151 10.464 -8.100 1.00 31.12 H new ATOM 0 HB3 PRO A 23 27.768 10.797 -9.777 1.00 31.12 H new ATOM 0 HG2 PRO A 23 27.150 8.389 -8.178 1.00 65.51 H new ATOM 0 HG3 PRO A 23 26.430 8.921 -9.684 1.00 65.51 H new ATOM 0 HD2 PRO A 23 28.361 6.826 -9.351 1.00 63.34 H new ATOM 0 HD3 PRO A 23 27.727 7.436 -10.867 1.00 63.34 H new ATOM 318 N PRO A 24 31.304 10.665 -8.061 1.00 64.34 N ATOM 319 CA PRO A 24 32.246 10.696 -6.955 1.00 42.34 C ATOM 320 C PRO A 24 31.518 10.861 -5.620 1.00 3.12 C ATOM 321 O PRO A 24 30.370 11.300 -5.585 1.00 32.13 O ATOM 322 CB PRO A 24 33.182 11.852 -7.269 1.00 1.35 C ATOM 323 CG PRO A 24 32.455 12.712 -8.290 1.00 2.23 C ATOM 324 CD PRO A 24 31.286 11.905 -8.831 1.00 2.43 C ATOM 0 HA PRO A 24 32.805 9.766 -6.851 1.00 42.34 H new ATOM 0 HB2 PRO A 24 33.412 12.424 -6.370 1.00 1.35 H new ATOM 0 HB3 PRO A 24 34.130 11.490 -7.667 1.00 1.35 H new ATOM 0 HG2 PRO A 24 32.101 13.635 -7.830 1.00 2.23 H new ATOM 0 HG3 PRO A 24 33.129 12.997 -9.098 1.00 2.23 H new ATOM 0 HD2 PRO A 24 30.344 12.438 -8.702 1.00 2.43 H new ATOM 0 HD3 PRO A 24 31.399 11.711 -9.898 1.00 2.43 H new ATOM 332 N PRO A 25 32.235 10.491 -4.525 1.00 22.00 N ATOM 333 CA PRO A 25 31.670 10.594 -3.190 1.00 71.54 C ATOM 334 C PRO A 25 31.636 12.049 -2.719 1.00 65.14 C ATOM 335 O PRO A 25 32.403 12.438 -1.840 1.00 1.22 O ATOM 336 CB PRO A 25 32.548 9.708 -2.322 1.00 5.11 C ATOM 337 CG PRO A 25 33.841 9.513 -3.098 1.00 75.15 C ATOM 338 CD PRO A 25 33.598 9.967 -4.529 1.00 11.05 C ATOM 0 HA PRO A 25 30.631 10.267 -3.147 1.00 71.54 H new ATOM 0 HB2 PRO A 25 32.739 10.175 -1.356 1.00 5.11 H new ATOM 0 HB3 PRO A 25 32.063 8.752 -2.124 1.00 5.11 H new ATOM 0 HG2 PRO A 25 34.648 10.090 -2.646 1.00 75.15 H new ATOM 0 HG3 PRO A 25 34.146 8.467 -3.076 1.00 75.15 H new ATOM 0 HD2 PRO A 25 34.315 10.731 -4.829 1.00 11.05 H new ATOM 0 HD3 PRO A 25 33.702 9.139 -5.230 1.00 11.05 H new ATOM 346 N GLY A 26 30.740 12.813 -3.326 1.00 0.23 N ATOM 347 CA GLY A 26 30.596 14.217 -2.979 1.00 64.02 C ATOM 348 C GLY A 26 29.319 14.803 -3.584 1.00 11.12 C ATOM 349 O GLY A 26 29.257 15.996 -3.876 1.00 12.32 O ATOM 0 H GLY A 26 30.107 12.487 -4.056 1.00 0.23 H new ATOM 0 HA2 GLY A 26 30.573 14.327 -1.895 1.00 64.02 H new ATOM 0 HA3 GLY A 26 31.461 14.774 -3.337 1.00 64.02 H new ATOM 353 N LEU A 27 28.331 13.937 -3.754 1.00 21.54 N ATOM 354 CA LEU A 27 27.059 14.353 -4.318 1.00 53.30 C ATOM 355 C LEU A 27 25.922 13.869 -3.416 1.00 22.24 C ATOM 356 O LEU A 27 26.120 12.986 -2.582 1.00 72.45 O ATOM 357 CB LEU A 27 26.936 13.882 -5.768 1.00 71.14 C ATOM 358 CG LEU A 27 28.164 14.105 -6.653 1.00 4.43 C ATOM 359 CD1 LEU A 27 28.225 13.072 -7.779 1.00 32.43 C ATOM 360 CD2 LEU A 27 28.202 15.538 -7.188 1.00 15.44 C ATOM 0 H LEU A 27 28.386 12.948 -3.511 1.00 21.54 H new ATOM 0 HA LEU A 27 26.997 15.441 -4.354 1.00 53.30 H new ATOM 0 HB2 LEU A 27 26.704 12.817 -5.765 1.00 71.14 H new ATOM 0 HB3 LEU A 27 26.087 14.392 -6.224 1.00 71.14 H new ATOM 0 HG LEU A 27 29.055 13.966 -6.040 1.00 4.43 H new ATOM 0 HD11 LEU A 27 29.107 13.254 -8.392 1.00 32.43 H new ATOM 0 HD12 LEU A 27 28.280 12.071 -7.352 1.00 32.43 H new ATOM 0 HD13 LEU A 27 27.331 13.154 -8.397 1.00 32.43 H new ATOM 0 HD21 LEU A 27 29.085 15.669 -7.814 1.00 15.44 H new ATOM 0 HD22 LEU A 27 27.306 15.730 -7.779 1.00 15.44 H new ATOM 0 HD23 LEU A 27 28.242 16.237 -6.353 1.00 15.44 H new ATOM 372 N HIS A 28 24.757 14.468 -3.612 1.00 30.00 N ATOM 373 CA HIS A 28 23.589 14.109 -2.826 1.00 73.42 C ATOM 374 C HIS A 28 22.372 14.886 -3.331 1.00 53.31 C ATOM 375 O HIS A 28 22.487 16.051 -3.708 1.00 5.40 O ATOM 376 CB HIS A 28 23.851 14.321 -1.334 1.00 42.51 C ATOM 377 CG HIS A 28 23.941 15.773 -0.927 1.00 60.03 C ATOM 378 ND1 HIS A 28 23.099 16.543 -0.179 1.00 11.02 N flip ATOM 379 CD2 HIS A 28 24.993 16.592 -1.299 1.00 64.40 C flip ATOM 380 CE1 HIS A 28 23.610 17.765 -0.097 1.00 30.43 C flip ATOM 381 NE2 HIS A 28 24.784 17.798 -0.791 1.00 23.24 N flip ATOM 0 H HIS A 28 24.597 15.200 -4.304 1.00 30.00 H new ATOM 0 HA HIS A 28 23.376 13.047 -2.950 1.00 73.42 H new ATOM 0 HB2 HIS A 28 23.054 13.843 -0.764 1.00 42.51 H new ATOM 0 HB3 HIS A 28 24.781 13.820 -1.064 1.00 42.51 H new ATOM 0 HD2 HIS A 28 25.840 16.298 -1.901 1.00 64.40 H new ATOM 0 HE1 HIS A 28 23.169 18.597 0.432 1.00 30.43 H new ATOM 0 HE2 HIS A 28 25.394 18.608 -0.900 1.00 23.24 H new ATOM 389 N LEU A 29 21.232 14.210 -3.322 1.00 43.21 N ATOM 390 CA LEU A 29 19.995 14.823 -3.774 1.00 72.03 C ATOM 391 C LEU A 29 19.336 15.556 -2.604 1.00 22.11 C ATOM 392 O LEU A 29 19.779 15.434 -1.463 1.00 15.04 O ATOM 393 CB LEU A 29 19.090 13.780 -4.434 1.00 44.11 C ATOM 394 CG LEU A 29 18.120 14.307 -5.493 1.00 41.51 C ATOM 395 CD1 LEU A 29 16.770 14.666 -4.870 1.00 33.44 C ATOM 396 CD2 LEU A 29 18.729 15.485 -6.257 1.00 2.12 C ATOM 0 H LEU A 29 21.140 13.244 -3.009 1.00 43.21 H new ATOM 0 HA LEU A 29 20.198 15.568 -4.543 1.00 72.03 H new ATOM 0 HB2 LEU A 29 19.721 13.020 -4.894 1.00 44.11 H new ATOM 0 HB3 LEU A 29 18.511 13.285 -3.654 1.00 44.11 H new ATOM 0 HG LEU A 29 17.940 13.512 -6.216 1.00 41.51 H new ATOM 0 HD11 LEU A 29 16.099 15.038 -5.645 1.00 33.44 H new ATOM 0 HD12 LEU A 29 16.335 13.780 -4.408 1.00 33.44 H new ATOM 0 HD13 LEU A 29 16.912 15.437 -4.112 1.00 33.44 H new ATOM 0 HD21 LEU A 29 18.019 15.841 -7.004 1.00 2.12 H new ATOM 0 HD22 LEU A 29 18.957 16.292 -5.560 1.00 2.12 H new ATOM 0 HD23 LEU A 29 19.645 15.163 -6.752 1.00 2.12 H new ATOM 408 N ASP A 30 18.290 16.301 -2.927 1.00 74.05 N ATOM 409 CA ASP A 30 17.566 17.054 -1.917 1.00 74.41 C ATOM 410 C ASP A 30 16.167 17.388 -2.441 1.00 24.22 C ATOM 411 O ASP A 30 15.923 17.337 -3.645 1.00 43.43 O ATOM 412 CB ASP A 30 18.277 18.369 -1.595 1.00 51.34 C ATOM 413 CG ASP A 30 19.805 18.301 -1.621 1.00 42.32 C ATOM 414 OD1 ASP A 30 20.413 17.979 -2.653 1.00 32.00 O ATOM 415 OD2 ASP A 30 20.383 18.600 -0.507 1.00 41.33 O ATOM 0 H ASP A 30 17.926 16.400 -3.875 1.00 74.05 H new ATOM 0 HA ASP A 30 17.512 16.444 -1.016 1.00 74.41 H new ATOM 0 HB2 ASP A 30 17.950 19.126 -2.308 1.00 51.34 H new ATOM 0 HB3 ASP A 30 17.960 18.704 -0.607 1.00 51.34 H new ATOM 421 N VAL A 31 15.286 17.722 -1.510 1.00 31.22 N ATOM 422 CA VAL A 31 13.918 18.064 -1.862 1.00 45.23 C ATOM 423 C VAL A 31 13.520 19.356 -1.146 1.00 32.24 C ATOM 424 O VAL A 31 14.005 19.637 -0.051 1.00 14.43 O ATOM 425 CB VAL A 31 12.987 16.893 -1.545 1.00 21.50 C ATOM 426 CG1 VAL A 31 11.531 17.251 -1.850 1.00 65.15 C ATOM 427 CG2 VAL A 31 13.413 15.633 -2.303 1.00 15.33 C ATOM 0 H VAL A 31 15.493 17.763 -0.512 1.00 31.22 H new ATOM 0 HA VAL A 31 13.834 18.247 -2.933 1.00 45.23 H new ATOM 0 HB VAL A 31 13.063 16.684 -0.478 1.00 21.50 H new ATOM 0 HG11 VAL A 31 10.890 16.401 -1.616 1.00 65.15 H new ATOM 0 HG12 VAL A 31 11.233 18.108 -1.246 1.00 65.15 H new ATOM 0 HG13 VAL A 31 11.431 17.500 -2.906 1.00 65.15 H new ATOM 0 HG21 VAL A 31 12.735 14.815 -2.060 1.00 15.33 H new ATOM 0 HG22 VAL A 31 13.380 15.825 -3.375 1.00 15.33 H new ATOM 0 HG23 VAL A 31 14.428 15.360 -2.014 1.00 15.33 H new ATOM 437 N VAL A 32 12.640 20.107 -1.792 1.00 64.44 N ATOM 438 CA VAL A 32 12.171 21.362 -1.230 1.00 61.34 C ATOM 439 C VAL A 32 10.701 21.563 -1.602 1.00 14.44 C ATOM 440 O VAL A 32 10.314 21.366 -2.753 1.00 24.44 O ATOM 441 CB VAL A 32 13.068 22.511 -1.695 1.00 60.10 C ATOM 442 CG1 VAL A 32 13.047 23.664 -0.690 1.00 34.14 C ATOM 443 CG2 VAL A 32 14.498 22.025 -1.942 1.00 54.11 C ATOM 0 H VAL A 32 12.239 19.870 -2.700 1.00 64.44 H new ATOM 0 HA VAL A 32 12.232 21.340 -0.142 1.00 61.34 H new ATOM 0 HB VAL A 32 12.673 22.883 -2.640 1.00 60.10 H new ATOM 0 HG11 VAL A 32 13.693 24.467 -1.045 1.00 34.14 H new ATOM 0 HG12 VAL A 32 12.028 24.037 -0.585 1.00 34.14 H new ATOM 0 HG13 VAL A 32 13.405 23.311 0.277 1.00 34.14 H new ATOM 0 HG21 VAL A 32 15.115 22.861 -2.272 1.00 54.11 H new ATOM 0 HG22 VAL A 32 14.907 21.614 -1.019 1.00 54.11 H new ATOM 0 HG23 VAL A 32 14.492 21.253 -2.712 1.00 54.11 H new ATOM 453 N LYS A 33 9.920 21.955 -0.605 1.00 61.30 N ATOM 454 CA LYS A 33 8.501 22.185 -0.812 1.00 55.43 C ATOM 455 C LYS A 33 8.307 23.508 -1.556 1.00 55.13 C ATOM 456 O LYS A 33 7.236 23.764 -2.106 1.00 65.02 O ATOM 457 CB LYS A 33 7.746 22.111 0.517 1.00 71.24 C ATOM 458 CG LYS A 33 8.218 23.204 1.477 1.00 12.22 C ATOM 459 CD LYS A 33 7.120 23.563 2.481 1.00 24.01 C ATOM 460 CE LYS A 33 7.198 22.669 3.721 1.00 51.34 C ATOM 461 NZ LYS A 33 5.870 22.562 4.366 1.00 4.53 N ATOM 0 H LYS A 33 10.244 22.119 0.348 1.00 61.30 H new ATOM 0 HA LYS A 33 8.075 21.401 -1.438 1.00 55.43 H new ATOM 0 HB2 LYS A 33 6.676 22.217 0.338 1.00 71.24 H new ATOM 0 HB3 LYS A 33 7.898 21.132 0.972 1.00 71.24 H new ATOM 0 HG2 LYS A 33 9.107 22.866 2.010 1.00 12.22 H new ATOM 0 HG3 LYS A 33 8.503 24.091 0.912 1.00 12.22 H new ATOM 0 HD2 LYS A 33 7.218 24.608 2.775 1.00 24.01 H new ATOM 0 HD3 LYS A 33 6.143 23.455 2.011 1.00 24.01 H new ATOM 0 HE2 LYS A 33 7.554 21.678 3.440 1.00 51.34 H new ATOM 0 HE3 LYS A 33 7.920 23.079 4.427 1.00 51.34 H new ATOM 0 HZ1 LYS A 33 5.940 21.952 5.206 1.00 4.53 H new ATOM 0 HZ2 LYS A 33 5.545 23.508 4.651 1.00 4.53 H new ATOM 0 HZ3 LYS A 33 5.190 22.151 3.695 1.00 4.53 H new ATOM 474 N GLY A 34 9.358 24.314 -1.549 1.00 63.14 N ATOM 475 CA GLY A 34 9.317 25.604 -2.217 1.00 21.02 C ATOM 476 C GLY A 34 10.472 26.496 -1.757 1.00 42.04 C ATOM 477 O GLY A 34 11.304 26.906 -2.566 1.00 21.35 O ATOM 0 H GLY A 34 10.244 24.099 -1.091 1.00 63.14 H new ATOM 0 HA2 GLY A 34 9.371 25.461 -3.296 1.00 21.02 H new ATOM 0 HA3 GLY A 34 8.367 26.096 -2.008 1.00 21.02 H new ATOM 481 N ASP A 35 10.486 26.771 -0.461 1.00 62.24 N ATOM 482 CA ASP A 35 11.525 27.607 0.115 1.00 25.22 C ATOM 483 C ASP A 35 12.016 26.976 1.420 1.00 64.23 C ATOM 484 O ASP A 35 12.614 27.653 2.255 1.00 40.14 O ATOM 485 CB ASP A 35 10.993 29.004 0.437 1.00 13.32 C ATOM 486 CG ASP A 35 10.153 29.647 -0.669 1.00 21.12 C ATOM 487 OD1 ASP A 35 10.689 30.266 -1.600 1.00 24.12 O ATOM 488 OD2 ASP A 35 8.878 29.490 -0.546 1.00 45.14 O ATOM 0 H ASP A 35 9.794 26.430 0.206 1.00 62.24 H new ATOM 0 HA ASP A 35 12.334 27.688 -0.611 1.00 25.22 H new ATOM 0 HB2 ASP A 35 10.390 28.947 1.343 1.00 13.32 H new ATOM 0 HB3 ASP A 35 11.838 29.657 0.657 1.00 13.32 H new ATOM 494 N LYS A 36 11.746 25.686 1.554 1.00 32.13 N ATOM 495 CA LYS A 36 12.152 24.956 2.743 1.00 24.11 C ATOM 496 C LYS A 36 12.590 23.545 2.345 1.00 33.21 C ATOM 497 O LYS A 36 11.862 22.839 1.648 1.00 3.01 O ATOM 498 CB LYS A 36 11.041 24.982 3.794 1.00 31.21 C ATOM 499 CG LYS A 36 11.098 23.738 4.683 1.00 31.12 C ATOM 500 CD LYS A 36 10.065 23.821 5.809 1.00 23.12 C ATOM 501 CE LYS A 36 9.541 22.431 6.176 1.00 4.12 C ATOM 502 NZ LYS A 36 8.352 22.540 7.050 1.00 72.31 N ATOM 0 H LYS A 36 11.251 25.127 0.859 1.00 32.13 H new ATOM 0 HA LYS A 36 13.011 25.437 3.210 1.00 24.11 H new ATOM 0 HB2 LYS A 36 11.138 25.877 4.408 1.00 31.21 H new ATOM 0 HB3 LYS A 36 10.070 25.037 3.301 1.00 31.21 H new ATOM 0 HG2 LYS A 36 10.915 22.848 4.081 1.00 31.12 H new ATOM 0 HG3 LYS A 36 12.097 23.635 5.108 1.00 31.12 H new ATOM 0 HD2 LYS A 36 10.514 24.287 6.686 1.00 23.12 H new ATOM 0 HD3 LYS A 36 9.235 24.456 5.500 1.00 23.12 H new ATOM 0 HE2 LYS A 36 9.285 21.882 5.270 1.00 4.12 H new ATOM 0 HE3 LYS A 36 10.322 21.864 6.683 1.00 4.12 H new ATOM 0 HZ1 LYS A 36 7.989 21.589 7.262 1.00 72.31 H new ATOM 0 HZ2 LYS A 36 8.615 23.016 7.937 1.00 72.31 H new ATOM 0 HZ3 LYS A 36 7.615 23.092 6.566 1.00 72.31 H new ATOM 515 N LEU A 37 13.776 23.176 2.805 1.00 21.41 N ATOM 516 CA LEU A 37 14.319 21.861 2.506 1.00 50.42 C ATOM 517 C LEU A 37 13.477 20.795 3.209 1.00 25.41 C ATOM 518 O LEU A 37 13.380 20.784 4.435 1.00 11.42 O ATOM 519 CB LEU A 37 15.806 21.803 2.859 1.00 5.02 C ATOM 520 CG LEU A 37 16.574 20.589 2.331 1.00 2.43 C ATOM 521 CD1 LEU A 37 15.983 19.288 2.875 1.00 34.51 C ATOM 522 CD2 LEU A 37 16.630 20.599 0.802 1.00 23.23 C ATOM 0 H LEU A 37 14.377 23.764 3.383 1.00 21.41 H new ATOM 0 HA LEU A 37 14.261 21.658 1.437 1.00 50.42 H new ATOM 0 HB2 LEU A 37 16.285 22.705 2.478 1.00 5.02 H new ATOM 0 HB3 LEU A 37 15.903 21.825 3.944 1.00 5.02 H new ATOM 0 HG LEU A 37 17.601 20.651 2.691 1.00 2.43 H new ATOM 0 HD11 LEU A 37 16.547 18.441 2.485 1.00 34.51 H new ATOM 0 HD12 LEU A 37 16.039 19.290 3.964 1.00 34.51 H new ATOM 0 HD13 LEU A 37 14.941 19.204 2.565 1.00 34.51 H new ATOM 0 HD21 LEU A 37 17.181 19.726 0.452 1.00 23.23 H new ATOM 0 HD22 LEU A 37 15.617 20.573 0.401 1.00 23.23 H new ATOM 0 HD23 LEU A 37 17.132 21.505 0.462 1.00 23.23 H new ATOM 534 N ILE A 38 12.891 19.922 2.402 1.00 1.43 N ATOM 535 CA ILE A 38 12.061 18.854 2.932 1.00 60.21 C ATOM 536 C ILE A 38 12.957 17.743 3.482 1.00 64.51 C ATOM 537 O ILE A 38 13.125 17.618 4.694 1.00 3.41 O ATOM 538 CB ILE A 38 11.066 18.374 1.874 1.00 73.24 C ATOM 539 CG1 ILE A 38 10.141 19.511 1.434 1.00 4.34 C ATOM 540 CG2 ILE A 38 10.282 17.157 2.370 1.00 52.31 C ATOM 541 CD1 ILE A 38 9.219 19.940 2.577 1.00 14.01 C ATOM 0 H ILE A 38 12.975 19.933 1.386 1.00 1.43 H new ATOM 0 HA ILE A 38 11.457 19.218 3.763 1.00 60.21 H new ATOM 0 HB ILE A 38 11.629 18.059 0.995 1.00 73.24 H new ATOM 0 HG12 ILE A 38 10.737 20.362 1.103 1.00 4.34 H new ATOM 0 HG13 ILE A 38 9.543 19.189 0.581 1.00 4.34 H new ATOM 0 HG21 ILE A 38 9.582 16.836 1.599 1.00 52.31 H new ATOM 0 HG22 ILE A 38 10.974 16.345 2.593 1.00 52.31 H new ATOM 0 HG23 ILE A 38 9.731 17.422 3.272 1.00 52.31 H new ATOM 0 HD11 ILE A 38 8.572 20.749 2.238 1.00 14.01 H new ATOM 0 HD12 ILE A 38 8.608 19.093 2.889 1.00 14.01 H new ATOM 0 HD13 ILE A 38 9.819 20.284 3.419 1.00 14.01 H new ATOM 553 N GLU A 39 13.510 16.963 2.564 1.00 35.31 N ATOM 554 CA GLU A 39 14.384 15.866 2.942 1.00 25.10 C ATOM 555 C GLU A 39 15.685 15.923 2.138 1.00 73.24 C ATOM 556 O GLU A 39 15.911 16.868 1.383 1.00 24.44 O ATOM 557 CB GLU A 39 13.685 14.518 2.758 1.00 34.13 C ATOM 558 CG GLU A 39 13.758 14.056 1.301 1.00 1.05 C ATOM 559 CD GLU A 39 12.695 12.995 1.008 1.00 10.43 C ATOM 560 OE1 GLU A 39 12.543 12.573 -0.147 1.00 63.54 O ATOM 561 OE2 GLU A 39 12.013 12.609 2.033 1.00 1.10 O ATOM 0 H GLU A 39 13.369 17.069 1.559 1.00 35.31 H new ATOM 0 HA GLU A 39 14.627 15.970 3.999 1.00 25.10 H new ATOM 0 HB2 GLU A 39 14.150 13.772 3.403 1.00 34.13 H new ATOM 0 HB3 GLU A 39 12.642 14.600 3.065 1.00 34.13 H new ATOM 0 HG2 GLU A 39 13.617 14.909 0.638 1.00 1.05 H new ATOM 0 HG3 GLU A 39 14.748 13.651 1.093 1.00 1.05 H new ATOM 569 N LYS A 40 16.505 14.899 2.326 1.00 51.41 N ATOM 570 CA LYS A 40 17.776 14.821 1.627 1.00 5.01 C ATOM 571 C LYS A 40 18.035 13.372 1.208 1.00 53.41 C ATOM 572 O LYS A 40 17.593 12.440 1.878 1.00 4.44 O ATOM 573 CB LYS A 40 18.895 15.423 2.480 1.00 33.05 C ATOM 574 CG LYS A 40 19.936 16.124 1.605 1.00 33.31 C ATOM 575 CD LYS A 40 21.125 16.599 2.442 1.00 42.11 C ATOM 576 CE LYS A 40 20.657 17.204 3.767 1.00 74.21 C ATOM 577 NZ LYS A 40 21.815 17.666 4.564 1.00 52.11 N ATOM 0 H LYS A 40 16.314 14.117 2.952 1.00 51.41 H new ATOM 0 HA LYS A 40 17.746 15.417 0.715 1.00 5.01 H new ATOM 0 HB2 LYS A 40 18.473 16.135 3.190 1.00 33.05 H new ATOM 0 HB3 LYS A 40 19.375 14.637 3.063 1.00 33.05 H new ATOM 0 HG2 LYS A 40 20.283 15.442 0.829 1.00 33.31 H new ATOM 0 HG3 LYS A 40 19.479 16.975 1.101 1.00 33.31 H new ATOM 0 HD2 LYS A 40 21.794 15.761 2.637 1.00 42.11 H new ATOM 0 HD3 LYS A 40 21.696 17.339 1.882 1.00 42.11 H new ATOM 0 HE2 LYS A 40 19.984 18.040 3.574 1.00 74.21 H new ATOM 0 HE3 LYS A 40 20.092 16.463 4.332 1.00 74.21 H new ATOM 0 HZ1 LYS A 40 21.479 18.074 5.460 1.00 52.11 H new ATOM 0 HZ2 LYS A 40 22.442 16.861 4.764 1.00 52.11 H new ATOM 0 HZ3 LYS A 40 22.338 18.388 4.029 1.00 52.11 H new ATOM 590 N LEU A 41 18.749 13.229 0.101 1.00 34.41 N ATOM 591 CA LEU A 41 19.071 11.909 -0.415 1.00 52.35 C ATOM 592 C LEU A 41 20.488 11.924 -0.991 1.00 25.13 C ATOM 593 O LEU A 41 21.080 12.988 -1.167 1.00 74.04 O ATOM 594 CB LEU A 41 18.007 11.450 -1.414 1.00 54.33 C ATOM 595 CG LEU A 41 16.597 12.003 -1.193 1.00 71.35 C ATOM 596 CD1 LEU A 41 15.813 12.045 -2.506 1.00 73.14 C ATOM 597 CD2 LEU A 41 15.861 11.210 -0.111 1.00 53.14 C ATOM 0 H LEU A 41 19.113 14.004 -0.453 1.00 34.41 H new ATOM 0 HA LEU A 41 19.060 11.173 0.389 1.00 52.35 H new ATOM 0 HB2 LEU A 41 18.333 11.730 -2.416 1.00 54.33 H new ATOM 0 HB3 LEU A 41 17.957 10.361 -1.387 1.00 54.33 H new ATOM 0 HG LEU A 41 16.684 13.030 -0.837 1.00 71.35 H new ATOM 0 HD11 LEU A 41 14.815 12.442 -2.321 1.00 73.14 H new ATOM 0 HD12 LEU A 41 16.332 12.686 -3.219 1.00 73.14 H new ATOM 0 HD13 LEU A 41 15.733 11.038 -2.914 1.00 73.14 H new ATOM 0 HD21 LEU A 41 14.862 11.623 0.027 1.00 53.14 H new ATOM 0 HD22 LEU A 41 15.783 10.166 -0.414 1.00 53.14 H new ATOM 0 HD23 LEU A 41 16.413 11.275 0.827 1.00 53.14 H new ATOM 609 N ILE A 42 20.993 10.730 -1.267 1.00 51.31 N ATOM 610 CA ILE A 42 22.330 10.592 -1.819 1.00 1.43 C ATOM 611 C ILE A 42 22.231 10.138 -3.276 1.00 64.52 C ATOM 612 O ILE A 42 21.309 9.410 -3.642 1.00 44.21 O ATOM 613 CB ILE A 42 23.179 9.669 -0.942 1.00 74.14 C ATOM 614 CG1 ILE A 42 23.555 10.354 0.373 1.00 43.54 C ATOM 615 CG2 ILE A 42 24.410 9.171 -1.702 1.00 74.42 C ATOM 616 CD1 ILE A 42 22.307 10.818 1.126 1.00 2.33 C ATOM 0 H ILE A 42 20.500 9.849 -1.119 1.00 51.31 H new ATOM 0 HA ILE A 42 22.844 11.553 -1.819 1.00 1.43 H new ATOM 0 HB ILE A 42 22.581 8.794 -0.688 1.00 74.14 H new ATOM 0 HG12 ILE A 42 24.125 9.665 0.996 1.00 43.54 H new ATOM 0 HG13 ILE A 42 24.201 11.209 0.170 1.00 43.54 H new ATOM 0 HG21 ILE A 42 24.996 8.517 -1.056 1.00 74.42 H new ATOM 0 HG22 ILE A 42 24.093 8.618 -2.586 1.00 74.42 H new ATOM 0 HG23 ILE A 42 25.019 10.022 -2.006 1.00 74.42 H new ATOM 0 HD11 ILE A 42 22.603 11.302 2.057 1.00 2.33 H new ATOM 0 HD12 ILE A 42 21.752 11.526 0.510 1.00 2.33 H new ATOM 0 HD13 ILE A 42 21.675 9.958 1.348 1.00 2.33 H new ATOM 628 N ILE A 43 23.194 10.585 -4.069 1.00 22.22 N ATOM 629 CA ILE A 43 23.227 10.233 -5.478 1.00 64.22 C ATOM 630 C ILE A 43 24.671 9.940 -5.893 1.00 11.55 C ATOM 631 O ILE A 43 24.977 9.871 -7.082 1.00 21.22 O ATOM 632 CB ILE A 43 22.555 11.321 -6.318 1.00 72.50 C ATOM 633 CG1 ILE A 43 23.097 12.705 -5.958 1.00 12.23 C ATOM 634 CG2 ILE A 43 21.032 11.250 -6.189 1.00 31.32 C ATOM 635 CD1 ILE A 43 24.081 13.202 -7.019 1.00 31.02 C ATOM 0 H ILE A 43 23.957 11.188 -3.762 1.00 22.22 H new ATOM 0 HA ILE A 43 22.653 9.324 -5.657 1.00 64.22 H new ATOM 0 HB ILE A 43 22.798 11.143 -7.366 1.00 72.50 H new ATOM 0 HG12 ILE A 43 22.271 13.410 -5.865 1.00 12.23 H new ATOM 0 HG13 ILE A 43 23.593 12.664 -4.988 1.00 12.23 H new ATOM 0 HG21 ILE A 43 20.579 12.034 -6.796 1.00 31.32 H new ATOM 0 HG22 ILE A 43 20.683 10.277 -6.534 1.00 31.32 H new ATOM 0 HG23 ILE A 43 20.748 11.389 -5.146 1.00 31.32 H new ATOM 0 HD11 ILE A 43 24.451 14.188 -6.738 1.00 31.02 H new ATOM 0 HD12 ILE A 43 24.918 12.508 -7.093 1.00 31.02 H new ATOM 0 HD13 ILE A 43 23.576 13.265 -7.983 1.00 31.02 H new ATOM 647 N ASP A 44 25.520 9.777 -4.888 1.00 54.43 N ATOM 648 CA ASP A 44 26.924 9.494 -5.133 1.00 54.14 C ATOM 649 C ASP A 44 27.212 8.032 -4.787 1.00 44.12 C ATOM 650 O ASP A 44 28.131 7.741 -4.023 1.00 3.31 O ATOM 651 CB ASP A 44 27.823 10.373 -4.262 1.00 30.11 C ATOM 652 CG ASP A 44 27.559 10.278 -2.758 1.00 33.41 C ATOM 653 OD1 ASP A 44 27.776 11.242 -2.009 1.00 21.30 O ATOM 654 OD2 ASP A 44 27.104 9.139 -2.355 1.00 42.53 O ATOM 0 H ASP A 44 25.262 9.836 -3.903 1.00 54.43 H new ATOM 0 HA ASP A 44 27.131 9.697 -6.184 1.00 54.14 H new ATOM 0 HB2 ASP A 44 28.862 10.104 -4.451 1.00 30.11 H new ATOM 0 HB3 ASP A 44 27.701 11.411 -4.572 1.00 30.11 H new ATOM 660 N GLU A 45 26.411 7.151 -5.366 1.00 74.45 N ATOM 661 CA GLU A 45 26.569 5.726 -5.129 1.00 34.22 C ATOM 662 C GLU A 45 26.412 4.949 -6.438 1.00 21.15 C ATOM 663 O GLU A 45 27.215 4.067 -6.740 1.00 13.12 O ATOM 664 CB GLU A 45 25.575 5.232 -4.076 1.00 14.12 C ATOM 665 CG GLU A 45 25.233 6.343 -3.081 1.00 21.14 C ATOM 666 CD GLU A 45 24.147 5.889 -2.104 1.00 33.34 C ATOM 667 OE1 GLU A 45 23.352 6.715 -1.633 1.00 14.54 O ATOM 668 OE2 GLU A 45 24.145 4.626 -1.838 1.00 43.32 O ATOM 0 H GLU A 45 25.650 7.396 -5.999 1.00 74.45 H new ATOM 0 HA GLU A 45 27.574 5.551 -4.744 1.00 34.22 H new ATOM 0 HB2 GLU A 45 24.665 4.884 -4.565 1.00 14.12 H new ATOM 0 HB3 GLU A 45 25.997 4.380 -3.544 1.00 14.12 H new ATOM 0 HG2 GLU A 45 26.128 6.629 -2.528 1.00 21.14 H new ATOM 0 HG3 GLU A 45 24.895 7.228 -3.620 1.00 21.14 H new ATOM 676 N LYS A 46 25.373 5.304 -7.179 1.00 2.31 N ATOM 677 CA LYS A 46 25.101 4.651 -8.448 1.00 42.32 C ATOM 678 C LYS A 46 25.298 5.655 -9.586 1.00 0.32 C ATOM 679 O LYS A 46 25.791 6.760 -9.365 1.00 0.42 O ATOM 680 CB LYS A 46 23.715 4.005 -8.432 1.00 33.43 C ATOM 681 CG LYS A 46 22.686 4.929 -7.776 1.00 64.33 C ATOM 682 CD LYS A 46 22.503 6.210 -8.592 1.00 13.34 C ATOM 683 CE LYS A 46 23.101 7.415 -7.862 1.00 63.32 C ATOM 684 NZ LYS A 46 22.411 8.660 -8.266 1.00 4.43 N ATOM 0 H LYS A 46 24.709 6.036 -6.925 1.00 2.31 H new ATOM 0 HA LYS A 46 25.805 3.836 -8.615 1.00 42.32 H new ATOM 0 HB2 LYS A 46 23.405 3.776 -9.452 1.00 33.43 H new ATOM 0 HB3 LYS A 46 23.757 3.060 -7.891 1.00 33.43 H new ATOM 0 HG2 LYS A 46 21.731 4.411 -7.686 1.00 64.33 H new ATOM 0 HG3 LYS A 46 23.009 5.180 -6.766 1.00 64.33 H new ATOM 0 HD2 LYS A 46 22.980 6.097 -9.566 1.00 13.34 H new ATOM 0 HD3 LYS A 46 21.442 6.381 -8.775 1.00 13.34 H new ATOM 0 HE2 LYS A 46 23.012 7.276 -6.785 1.00 63.32 H new ATOM 0 HE3 LYS A 46 24.165 7.492 -8.086 1.00 63.32 H new ATOM 0 HZ1 LYS A 46 23.100 9.437 -8.321 1.00 4.43 H new ATOM 0 HZ2 LYS A 46 21.967 8.525 -9.197 1.00 4.43 H new ATOM 0 HZ3 LYS A 46 21.680 8.895 -7.565 1.00 4.43 H new ATOM 697 N LYS A 47 24.902 5.235 -10.778 1.00 65.13 N ATOM 698 CA LYS A 47 25.029 6.084 -11.951 1.00 23.50 C ATOM 699 C LYS A 47 23.640 6.352 -12.533 1.00 42.14 C ATOM 700 O LYS A 47 23.498 7.127 -13.478 1.00 4.10 O ATOM 701 CB LYS A 47 26.008 5.469 -12.954 1.00 2.24 C ATOM 702 CG LYS A 47 25.263 4.712 -14.054 1.00 74.51 C ATOM 703 CD LYS A 47 24.640 3.425 -13.509 1.00 30.24 C ATOM 704 CE LYS A 47 25.708 2.513 -12.902 1.00 45.10 C ATOM 705 NZ LYS A 47 25.201 1.128 -12.782 1.00 72.04 N ATOM 0 H LYS A 47 24.493 4.318 -10.957 1.00 65.13 H new ATOM 0 HA LYS A 47 25.453 7.050 -11.678 1.00 23.50 H new ATOM 0 HB2 LYS A 47 26.620 6.254 -13.398 1.00 2.24 H new ATOM 0 HB3 LYS A 47 26.686 4.791 -12.436 1.00 2.24 H new ATOM 0 HG2 LYS A 47 24.484 5.348 -14.474 1.00 74.51 H new ATOM 0 HG3 LYS A 47 25.951 4.472 -14.865 1.00 74.51 H new ATOM 0 HD2 LYS A 47 23.894 3.670 -12.753 1.00 30.24 H new ATOM 0 HD3 LYS A 47 24.121 2.900 -14.311 1.00 30.24 H new ATOM 0 HE2 LYS A 47 26.602 2.526 -13.525 1.00 45.10 H new ATOM 0 HE3 LYS A 47 25.998 2.887 -11.920 1.00 45.10 H new ATOM 0 HZ1 LYS A 47 25.939 0.523 -12.368 1.00 72.04 H new ATOM 0 HZ2 LYS A 47 24.361 1.118 -12.169 1.00 72.04 H new ATOM 0 HZ3 LYS A 47 24.947 0.769 -13.724 1.00 72.04 H new ATOM 718 N TYR A 48 22.650 5.696 -11.946 1.00 2.45 N ATOM 719 CA TYR A 48 21.277 5.855 -12.394 1.00 63.33 C ATOM 720 C TYR A 48 20.294 5.323 -11.350 1.00 22.54 C ATOM 721 O TYR A 48 20.388 4.168 -10.935 1.00 1.32 O ATOM 722 CB TYR A 48 21.151 5.018 -13.669 1.00 21.12 C ATOM 723 CG TYR A 48 20.448 3.675 -13.464 1.00 73.33 C ATOM 724 CD1 TYR A 48 19.101 3.640 -13.164 1.00 30.31 C ATOM 725 CD2 TYR A 48 21.160 2.498 -13.580 1.00 14.20 C ATOM 726 CE1 TYR A 48 18.439 2.376 -12.971 1.00 72.54 C ATOM 727 CE2 TYR A 48 20.497 1.234 -13.387 1.00 45.04 C ATOM 728 CZ TYR A 48 19.170 1.235 -13.093 1.00 12.13 C ATOM 729 OH TYR A 48 18.544 0.041 -12.911 1.00 4.22 O ATOM 0 H TYR A 48 22.771 5.053 -11.164 1.00 2.45 H new ATOM 0 HA TYR A 48 21.047 6.907 -12.559 1.00 63.33 H new ATOM 0 HB2 TYR A 48 20.604 5.593 -14.416 1.00 21.12 H new ATOM 0 HB3 TYR A 48 22.147 4.837 -14.073 1.00 21.12 H new ATOM 0 HD1 TYR A 48 18.544 4.561 -13.074 1.00 30.31 H new ATOM 0 HD2 TYR A 48 22.214 2.525 -13.815 1.00 14.20 H new ATOM 0 HE1 TYR A 48 17.386 2.335 -12.735 1.00 72.54 H new ATOM 0 HE2 TYR A 48 21.042 0.306 -13.474 1.00 45.04 H new ATOM 0 HH TYR A 48 19.188 -0.688 -13.030 1.00 4.22 H new ATOM 739 N TYR A 49 19.374 6.189 -10.954 1.00 55.43 N ATOM 740 CA TYR A 49 18.374 5.821 -9.966 1.00 40.10 C ATOM 741 C TYR A 49 16.963 5.925 -10.548 1.00 71.23 C ATOM 742 O TYR A 49 16.795 6.049 -11.760 1.00 63.15 O ATOM 743 CB TYR A 49 18.517 6.830 -8.825 1.00 4.10 C ATOM 744 CG TYR A 49 19.335 6.316 -7.639 1.00 20.35 C ATOM 745 CD1 TYR A 49 19.217 5.000 -7.238 1.00 1.54 C ATOM 746 CD2 TYR A 49 20.191 7.167 -6.969 1.00 54.11 C ATOM 747 CE1 TYR A 49 19.987 4.516 -6.121 1.00 14.31 C ATOM 748 CE2 TYR A 49 20.960 6.683 -5.852 1.00 61.03 C ATOM 749 CZ TYR A 49 20.820 5.381 -5.483 1.00 41.54 C ATOM 750 OH TYR A 49 21.547 4.924 -4.429 1.00 11.33 O ATOM 0 H TYR A 49 19.300 7.146 -11.300 1.00 55.43 H new ATOM 0 HA TYR A 49 18.521 4.793 -9.636 1.00 40.10 H new ATOM 0 HB2 TYR A 49 18.985 7.735 -9.211 1.00 4.10 H new ATOM 0 HB3 TYR A 49 17.524 7.110 -8.474 1.00 4.10 H new ATOM 0 HD1 TYR A 49 18.548 4.334 -7.762 1.00 1.54 H new ATOM 0 HD2 TYR A 49 20.284 8.196 -7.283 1.00 54.11 H new ATOM 0 HE1 TYR A 49 19.905 3.489 -5.797 1.00 14.31 H new ATOM 0 HE2 TYR A 49 21.633 7.339 -5.319 1.00 61.03 H new ATOM 0 HH TYR A 49 22.098 5.651 -4.072 1.00 11.33 H new ATOM 760 N LEU A 50 15.984 5.870 -9.657 1.00 61.01 N ATOM 761 CA LEU A 50 14.593 5.956 -10.067 1.00 52.23 C ATOM 762 C LEU A 50 13.877 7.003 -9.211 1.00 30.31 C ATOM 763 O LEU A 50 14.472 7.578 -8.301 1.00 42.01 O ATOM 764 CB LEU A 50 13.936 4.575 -10.027 1.00 72.03 C ATOM 765 CG LEU A 50 14.414 3.574 -11.081 1.00 53.24 C ATOM 766 CD1 LEU A 50 15.460 2.622 -10.499 1.00 33.22 C ATOM 767 CD2 LEU A 50 13.233 2.821 -11.698 1.00 10.24 C ATOM 0 H LEU A 50 16.127 5.767 -8.652 1.00 61.01 H new ATOM 0 HA LEU A 50 14.521 6.287 -11.103 1.00 52.23 H new ATOM 0 HB2 LEU A 50 14.105 4.143 -9.041 1.00 72.03 H new ATOM 0 HB3 LEU A 50 12.859 4.703 -10.138 1.00 72.03 H new ATOM 0 HG LEU A 50 14.897 4.129 -11.885 1.00 53.24 H new ATOM 0 HD11 LEU A 50 15.783 1.921 -11.269 1.00 33.22 H new ATOM 0 HD12 LEU A 50 16.318 3.195 -10.147 1.00 33.22 H new ATOM 0 HD13 LEU A 50 15.026 2.070 -9.665 1.00 33.22 H new ATOM 0 HD21 LEU A 50 13.601 2.116 -12.444 1.00 10.24 H new ATOM 0 HD22 LEU A 50 12.700 2.278 -10.917 1.00 10.24 H new ATOM 0 HD23 LEU A 50 12.556 3.532 -12.173 1.00 10.24 H new ATOM 779 N PHE A 51 12.610 7.218 -9.532 1.00 72.44 N ATOM 780 CA PHE A 51 11.807 8.185 -8.804 1.00 35.31 C ATOM 781 C PHE A 51 10.317 7.989 -9.093 1.00 32.13 C ATOM 782 O PHE A 51 9.855 8.260 -10.200 1.00 33.10 O ATOM 783 CB PHE A 51 12.230 9.573 -9.288 1.00 74.13 C ATOM 784 CG PHE A 51 13.199 10.291 -8.348 1.00 3.43 C ATOM 785 CD1 PHE A 51 12.760 10.766 -7.151 1.00 41.34 C ATOM 786 CD2 PHE A 51 14.500 10.455 -8.708 1.00 45.00 C ATOM 787 CE1 PHE A 51 13.660 11.433 -6.278 1.00 60.15 C ATOM 788 CE2 PHE A 51 15.400 11.122 -7.835 1.00 64.32 C ATOM 789 CZ PHE A 51 14.961 11.597 -6.639 1.00 22.42 C ATOM 0 H PHE A 51 12.119 6.739 -10.287 1.00 72.44 H new ATOM 0 HA PHE A 51 11.961 8.064 -7.732 1.00 35.31 H new ATOM 0 HB2 PHE A 51 12.695 9.478 -10.269 1.00 74.13 H new ATOM 0 HB3 PHE A 51 11.340 10.189 -9.415 1.00 74.13 H new ATOM 0 HD1 PHE A 51 11.727 10.636 -6.865 1.00 41.34 H new ATOM 0 HD2 PHE A 51 14.849 10.078 -9.658 1.00 45.00 H new ATOM 0 HE1 PHE A 51 13.311 11.810 -5.328 1.00 60.15 H new ATOM 0 HE2 PHE A 51 16.433 11.252 -8.121 1.00 64.32 H new ATOM 0 HZ PHE A 51 15.646 12.105 -5.976 1.00 22.42 H new ATOM 799 N GLY A 52 9.607 7.520 -8.077 1.00 75.45 N ATOM 800 CA GLY A 52 8.179 7.284 -8.208 1.00 53.45 C ATOM 801 C GLY A 52 7.518 7.144 -6.836 1.00 12.23 C ATOM 802 O GLY A 52 7.265 8.140 -6.160 1.00 55.41 O ATOM 0 H GLY A 52 9.994 7.297 -7.160 1.00 75.45 H new ATOM 0 HA2 GLY A 52 7.719 8.107 -8.755 1.00 53.45 H new ATOM 0 HA3 GLY A 52 8.008 6.379 -8.792 1.00 53.45 H new ATOM 806 N ARG A 53 7.257 5.899 -6.464 1.00 44.41 N ATOM 807 CA ARG A 53 6.631 5.616 -5.184 1.00 71.00 C ATOM 808 C ARG A 53 6.942 4.183 -4.746 1.00 43.42 C ATOM 809 O ARG A 53 7.217 3.935 -3.573 1.00 71.23 O ATOM 810 CB ARG A 53 5.114 5.800 -5.260 1.00 40.35 C ATOM 811 CG ARG A 53 4.712 6.502 -6.559 1.00 73.55 C ATOM 812 CD ARG A 53 3.191 6.643 -6.658 1.00 4.21 C ATOM 813 NE ARG A 53 2.582 5.337 -6.996 1.00 2.52 N ATOM 814 CZ ARG A 53 1.304 5.004 -6.717 1.00 61.22 C ATOM 815 NH1 ARG A 53 0.488 5.879 -6.093 1.00 10.33 N ATOM 816 NH2 ARG A 53 0.864 3.809 -7.065 1.00 23.34 N ATOM 0 H ARG A 53 7.468 5.075 -7.027 1.00 44.41 H new ATOM 0 HA ARG A 53 7.035 6.319 -4.455 1.00 71.00 H new ATOM 0 HB2 ARG A 53 4.623 4.829 -5.200 1.00 40.35 H new ATOM 0 HB3 ARG A 53 4.771 6.384 -4.406 1.00 40.35 H new ATOM 0 HG2 ARG A 53 5.176 7.487 -6.603 1.00 73.55 H new ATOM 0 HG3 ARG A 53 5.085 5.936 -7.413 1.00 73.55 H new ATOM 0 HD2 ARG A 53 2.789 7.007 -5.712 1.00 4.21 H new ATOM 0 HD3 ARG A 53 2.935 7.381 -7.418 1.00 4.21 H new ATOM 0 HE ARG A 53 3.164 4.646 -7.469 1.00 2.52 H new ATOM 0 HH11 ARG A 53 0.835 6.801 -5.828 1.00 10.33 H new ATOM 0 HH12 ARG A 53 -0.476 5.619 -5.886 1.00 10.33 H new ATOM 0 HH21 ARG A 53 1.487 3.154 -7.537 1.00 23.34 H new ATOM 0 HH22 ARG A 53 -0.099 3.541 -6.862 1.00 23.34 H new ATOM 829 N ASN A 54 6.889 3.279 -5.713 1.00 21.55 N ATOM 830 CA ASN A 54 7.162 1.877 -5.442 1.00 0.35 C ATOM 831 C ASN A 54 8.675 1.652 -5.420 1.00 62.23 C ATOM 832 O ASN A 54 9.335 1.743 -6.454 1.00 54.35 O ATOM 833 CB ASN A 54 6.566 0.980 -6.528 1.00 35.14 C ATOM 834 CG ASN A 54 5.669 -0.099 -5.916 1.00 52.43 C ATOM 835 OD1 ASN A 54 4.515 -0.261 -6.277 1.00 53.22 O ATOM 836 ND2 ASN A 54 6.262 -0.825 -4.973 1.00 50.40 N ATOM 0 H ASN A 54 6.661 3.489 -6.685 1.00 21.55 H new ATOM 0 HA ASN A 54 6.714 1.626 -4.481 1.00 0.35 H new ATOM 0 HB2 ASN A 54 5.989 1.584 -7.228 1.00 35.14 H new ATOM 0 HB3 ASN A 54 7.368 0.511 -7.098 1.00 35.14 H new ATOM 0 HD21 ASN A 54 5.747 -1.570 -4.504 1.00 50.40 H new ATOM 0 HD22 ASN A 54 7.232 -0.637 -4.719 1.00 50.40 H new ATOM 843 N PRO A 55 9.195 1.354 -4.199 1.00 72.43 N ATOM 844 CA PRO A 55 10.618 1.114 -4.030 1.00 12.33 C ATOM 845 C PRO A 55 11.011 -0.262 -4.571 1.00 51.44 C ATOM 846 O PRO A 55 12.178 -0.503 -4.874 1.00 64.11 O ATOM 847 CB PRO A 55 10.866 1.258 -2.537 1.00 52.00 C ATOM 848 CG PRO A 55 9.506 1.112 -1.873 1.00 24.13 C ATOM 849 CD PRO A 55 8.444 1.237 -2.953 1.00 21.24 C ATOM 0 HA PRO A 55 11.233 1.817 -4.593 1.00 12.33 H new ATOM 0 HB2 PRO A 55 11.559 0.495 -2.181 1.00 52.00 H new ATOM 0 HB3 PRO A 55 11.311 2.226 -2.307 1.00 52.00 H new ATOM 0 HG2 PRO A 55 9.428 0.148 -1.371 1.00 24.13 H new ATOM 0 HG3 PRO A 55 9.368 1.880 -1.112 1.00 24.13 H new ATOM 0 HD2 PRO A 55 7.788 0.366 -2.966 1.00 21.24 H new ATOM 0 HD3 PRO A 55 7.812 2.110 -2.788 1.00 21.24 H new ATOM 857 N ASP A 56 10.014 -1.127 -4.677 1.00 73.43 N ATOM 858 CA ASP A 56 10.240 -2.473 -5.177 1.00 45.34 C ATOM 859 C ASP A 56 10.796 -2.396 -6.601 1.00 24.03 C ATOM 860 O ASP A 56 11.329 -3.378 -7.117 1.00 13.52 O ATOM 861 CB ASP A 56 8.936 -3.271 -5.222 1.00 21.14 C ATOM 862 CG ASP A 56 9.053 -4.667 -5.836 1.00 61.41 C ATOM 863 OD1 ASP A 56 10.128 -5.286 -5.816 1.00 54.12 O ATOM 864 OD2 ASP A 56 7.967 -5.126 -6.359 1.00 55.52 O ATOM 0 H ASP A 56 9.047 -0.922 -4.425 1.00 73.43 H new ATOM 0 HA ASP A 56 10.942 -2.968 -4.506 1.00 45.34 H new ATOM 0 HB2 ASP A 56 8.552 -3.368 -4.207 1.00 21.14 H new ATOM 0 HB3 ASP A 56 8.199 -2.702 -5.788 1.00 21.14 H new ATOM 870 N LEU A 57 10.654 -1.221 -7.195 1.00 13.50 N ATOM 871 CA LEU A 57 11.135 -1.003 -8.549 1.00 10.13 C ATOM 872 C LEU A 57 12.114 0.173 -8.554 1.00 61.24 C ATOM 873 O LEU A 57 13.201 0.077 -9.123 1.00 12.44 O ATOM 874 CB LEU A 57 9.960 -0.830 -9.514 1.00 3.34 C ATOM 875 CG LEU A 57 8.609 -1.358 -9.027 1.00 63.23 C ATOM 876 CD1 LEU A 57 7.471 -0.856 -9.918 1.00 3.43 C ATOM 877 CD2 LEU A 57 8.623 -2.885 -8.922 1.00 44.50 C ATOM 0 H LEU A 57 10.212 -0.409 -6.764 1.00 13.50 H new ATOM 0 HA LEU A 57 11.683 -1.876 -8.904 1.00 10.13 H new ATOM 0 HB2 LEU A 57 9.853 0.231 -9.739 1.00 3.34 H new ATOM 0 HB3 LEU A 57 10.207 -1.331 -10.450 1.00 3.34 H new ATOM 0 HG LEU A 57 8.430 -0.967 -8.025 1.00 63.23 H new ATOM 0 HD11 LEU A 57 6.522 -1.246 -9.550 1.00 3.43 H new ATOM 0 HD12 LEU A 57 7.448 0.234 -9.899 1.00 3.43 H new ATOM 0 HD13 LEU A 57 7.632 -1.198 -10.940 1.00 3.43 H new ATOM 0 HD21 LEU A 57 7.651 -3.235 -8.574 1.00 44.50 H new ATOM 0 HD22 LEU A 57 8.834 -3.315 -9.901 1.00 44.50 H new ATOM 0 HD23 LEU A 57 9.394 -3.194 -8.216 1.00 44.50 H new ATOM 889 N CYS A 58 11.694 1.255 -7.915 1.00 72.43 N ATOM 890 CA CYS A 58 12.520 2.447 -7.840 1.00 0.45 C ATOM 891 C CYS A 58 13.383 2.355 -6.580 1.00 22.33 C ATOM 892 O CYS A 58 13.163 1.489 -5.734 1.00 54.02 O ATOM 893 CB CYS A 58 11.675 3.723 -7.860 1.00 22.10 C ATOM 894 SG CYS A 58 10.632 3.759 -9.363 1.00 64.33 S ATOM 0 H CYS A 58 10.792 1.331 -7.445 1.00 72.43 H new ATOM 0 HA CYS A 58 13.164 2.502 -8.718 1.00 0.45 H new ATOM 0 HB2 CYS A 58 11.047 3.767 -6.970 1.00 22.10 H new ATOM 0 HB3 CYS A 58 12.323 4.599 -7.836 1.00 22.10 H new ATOM 0 HG CYS A 58 9.425 4.123 -9.045 1.00 64.33 H new ATOM 900 N ASP A 59 14.348 3.259 -6.494 1.00 61.43 N ATOM 901 CA ASP A 59 15.245 3.290 -5.352 1.00 24.32 C ATOM 902 C ASP A 59 14.728 4.303 -4.329 1.00 55.24 C ATOM 903 O ASP A 59 14.901 4.120 -3.126 1.00 4.04 O ATOM 904 CB ASP A 59 16.654 3.717 -5.769 1.00 71.13 C ATOM 905 CG ASP A 59 17.700 2.601 -5.751 1.00 24.13 C ATOM 906 OD1 ASP A 59 18.177 2.190 -4.682 1.00 72.12 O ATOM 907 OD2 ASP A 59 18.030 2.143 -6.911 1.00 33.01 O ATOM 0 H ASP A 59 14.528 3.976 -7.197 1.00 61.43 H new ATOM 0 HA ASP A 59 15.283 2.287 -4.927 1.00 24.32 H new ATOM 0 HB2 ASP A 59 16.608 4.135 -6.775 1.00 71.13 H new ATOM 0 HB3 ASP A 59 16.986 4.516 -5.106 1.00 71.13 H new ATOM 913 N PHE A 60 14.102 5.350 -4.846 1.00 54.25 N ATOM 914 CA PHE A 60 13.557 6.393 -3.994 1.00 2.15 C ATOM 915 C PHE A 60 12.028 6.349 -3.981 1.00 71.41 C ATOM 916 O PHE A 60 11.427 5.402 -4.486 1.00 73.23 O ATOM 917 CB PHE A 60 14.012 7.732 -4.578 1.00 71.22 C ATOM 918 CG PHE A 60 15.420 8.152 -4.150 1.00 74.20 C ATOM 919 CD1 PHE A 60 16.252 7.247 -3.569 1.00 32.14 C ATOM 920 CD2 PHE A 60 15.838 9.430 -4.351 1.00 4.00 C ATOM 921 CE1 PHE A 60 17.558 7.637 -3.171 1.00 63.33 C ATOM 922 CE2 PHE A 60 17.145 9.820 -3.954 1.00 33.23 C ATOM 923 CZ PHE A 60 17.977 8.915 -3.372 1.00 61.13 C ATOM 0 H PHE A 60 13.960 5.498 -5.845 1.00 54.25 H new ATOM 0 HA PHE A 60 13.906 6.256 -2.970 1.00 2.15 H new ATOM 0 HB2 PHE A 60 13.977 7.673 -5.666 1.00 71.22 H new ATOM 0 HB3 PHE A 60 13.306 8.506 -4.278 1.00 71.22 H new ATOM 0 HD1 PHE A 60 15.920 6.232 -3.410 1.00 32.14 H new ATOM 0 HD2 PHE A 60 15.177 10.148 -4.812 1.00 4.00 H new ATOM 0 HE1 PHE A 60 18.219 6.919 -2.709 1.00 63.33 H new ATOM 0 HE2 PHE A 60 17.478 10.835 -4.114 1.00 33.23 H new ATOM 0 HZ PHE A 60 18.970 9.211 -3.069 1.00 61.13 H new ATOM 933 N THR A 61 11.442 7.384 -3.398 1.00 43.44 N ATOM 934 CA THR A 61 9.995 7.475 -3.313 1.00 54.55 C ATOM 935 C THR A 61 9.555 8.939 -3.246 1.00 5.53 C ATOM 936 O THR A 61 9.956 9.670 -2.341 1.00 44.32 O ATOM 937 CB THR A 61 9.539 6.648 -2.110 1.00 74.02 C ATOM 938 OG1 THR A 61 10.555 6.864 -1.135 1.00 61.32 O ATOM 939 CG2 THR A 61 9.594 5.143 -2.380 1.00 22.24 C ATOM 0 H THR A 61 11.944 8.167 -2.980 1.00 43.44 H new ATOM 0 HA THR A 61 9.520 7.067 -4.205 1.00 54.55 H new ATOM 0 HB THR A 61 8.522 6.931 -1.839 1.00 74.02 H new ATOM 0 HG1 THR A 61 10.338 6.365 -0.320 1.00 61.32 H new ATOM 0 HG21 THR A 61 9.260 4.602 -1.495 1.00 22.24 H new ATOM 0 HG22 THR A 61 8.944 4.900 -3.220 1.00 22.24 H new ATOM 0 HG23 THR A 61 10.617 4.853 -2.618 1.00 22.24 H new ATOM 947 N ILE A 62 8.737 9.324 -4.214 1.00 65.04 N ATOM 948 CA ILE A 62 8.240 10.688 -4.276 1.00 75.31 C ATOM 949 C ILE A 62 7.264 10.923 -3.121 1.00 61.40 C ATOM 950 O ILE A 62 7.155 12.038 -2.613 1.00 71.51 O ATOM 951 CB ILE A 62 7.642 10.978 -5.654 1.00 71.14 C ATOM 952 CG1 ILE A 62 8.629 10.618 -6.767 1.00 32.22 C ATOM 953 CG2 ILE A 62 7.172 12.431 -5.753 1.00 72.42 C ATOM 954 CD1 ILE A 62 8.051 10.955 -8.143 1.00 32.22 C ATOM 0 H ILE A 62 8.406 8.715 -4.962 1.00 65.04 H new ATOM 0 HA ILE A 62 9.058 11.398 -4.153 1.00 75.31 H new ATOM 0 HB ILE A 62 6.764 10.346 -5.785 1.00 71.14 H new ATOM 0 HG12 ILE A 62 9.563 11.160 -6.619 1.00 32.22 H new ATOM 0 HG13 ILE A 62 8.865 9.555 -6.718 1.00 32.22 H new ATOM 0 HG21 ILE A 62 6.751 12.611 -6.742 1.00 72.42 H new ATOM 0 HG22 ILE A 62 6.411 12.620 -4.995 1.00 72.42 H new ATOM 0 HG23 ILE A 62 8.018 13.099 -5.592 1.00 72.42 H new ATOM 0 HD11 ILE A 62 8.772 10.689 -8.916 1.00 32.22 H new ATOM 0 HD12 ILE A 62 7.130 10.393 -8.298 1.00 32.22 H new ATOM 0 HD13 ILE A 62 7.838 12.023 -8.197 1.00 32.22 H new ATOM 966 N ASP A 63 6.580 9.854 -2.740 1.00 31.02 N ATOM 967 CA ASP A 63 5.617 9.930 -1.654 1.00 62.21 C ATOM 968 C ASP A 63 4.509 10.915 -2.029 1.00 55.21 C ATOM 969 O ASP A 63 4.391 11.982 -1.428 1.00 24.34 O ATOM 970 CB ASP A 63 6.277 10.428 -0.367 1.00 0.12 C ATOM 971 CG ASP A 63 5.314 10.698 0.791 1.00 52.52 C ATOM 972 OD1 ASP A 63 4.481 9.849 1.140 1.00 13.01 O ATOM 973 OD2 ASP A 63 5.445 11.853 1.350 1.00 13.35 O ATOM 0 H ASP A 63 6.673 8.931 -3.164 1.00 31.02 H new ATOM 0 HA ASP A 63 5.214 8.931 -1.489 1.00 62.21 H new ATOM 0 HB2 ASP A 63 7.012 9.690 -0.044 1.00 0.12 H new ATOM 0 HB3 ASP A 63 6.822 11.346 -0.588 1.00 0.12 H new ATOM 979 N HIS A 64 3.723 10.523 -3.021 1.00 40.13 N ATOM 980 CA HIS A 64 2.628 11.359 -3.484 1.00 32.52 C ATOM 981 C HIS A 64 1.441 10.477 -3.877 1.00 53.12 C ATOM 982 O HIS A 64 1.367 9.315 -3.481 1.00 64.00 O ATOM 983 CB HIS A 64 3.087 12.277 -4.619 1.00 35.55 C ATOM 984 CG HIS A 64 2.531 13.678 -4.537 1.00 55.23 C ATOM 985 ND1 HIS A 64 1.582 14.161 -5.422 1.00 61.01 N ATOM 986 CD2 HIS A 64 2.798 14.694 -3.668 1.00 4.34 C ATOM 987 CE1 HIS A 64 1.300 15.412 -5.091 1.00 41.51 C ATOM 988 NE2 HIS A 64 2.055 15.741 -4.004 1.00 2.31 N ATOM 0 H HIS A 64 3.823 9.637 -3.517 1.00 40.13 H new ATOM 0 HA HIS A 64 2.299 12.014 -2.677 1.00 32.52 H new ATOM 0 HB2 HIS A 64 4.176 12.328 -4.614 1.00 35.55 H new ATOM 0 HB3 HIS A 64 2.793 11.835 -5.571 1.00 35.55 H new ATOM 0 HD2 HIS A 64 3.496 14.654 -2.845 1.00 4.34 H new ATOM 0 HE1 HIS A 64 0.596 16.058 -5.594 1.00 41.51 H new ATOM 0 HE2 HIS A 64 2.050 16.643 -3.528 1.00 2.31 H new ATOM 996 N GLN A 65 0.540 11.064 -4.652 1.00 64.12 N ATOM 997 CA GLN A 65 -0.640 10.347 -5.104 1.00 22.32 C ATOM 998 C GLN A 65 -0.707 10.344 -6.632 1.00 61.03 C ATOM 999 O GLN A 65 -1.115 9.354 -7.238 1.00 31.05 O ATOM 1000 CB GLN A 65 -1.911 10.948 -4.500 1.00 61.53 C ATOM 1001 CG GLN A 65 -2.442 12.091 -5.367 1.00 71.33 C ATOM 1002 CD GLN A 65 -3.672 12.739 -4.727 1.00 64.43 C ATOM 1003 OE1 GLN A 65 -3.588 13.736 -4.030 1.00 45.43 O ATOM 1004 NE2 GLN A 65 -4.815 12.117 -5.002 1.00 11.41 N ATOM 0 H GLN A 65 0.604 12.028 -4.978 1.00 64.12 H new ATOM 0 HA GLN A 65 -0.567 9.315 -4.762 1.00 22.32 H new ATOM 0 HB2 GLN A 65 -2.673 10.175 -4.404 1.00 61.53 H new ATOM 0 HB3 GLN A 65 -1.702 11.316 -3.495 1.00 61.53 H new ATOM 0 HG2 GLN A 65 -1.662 12.840 -5.505 1.00 71.33 H new ATOM 0 HG3 GLN A 65 -2.699 11.713 -6.356 1.00 71.33 H new ATOM 0 HE21 GLN A 65 -4.814 11.286 -5.593 1.00 11.41 H new ATOM 0 HE22 GLN A 65 -5.693 12.471 -4.622 1.00 11.41 H new ATOM 1013 N SER A 66 -0.300 11.463 -7.213 1.00 1.34 N ATOM 1014 CA SER A 66 -0.309 11.602 -8.659 1.00 4.50 C ATOM 1015 C SER A 66 0.881 10.855 -9.264 1.00 23.32 C ATOM 1016 O SER A 66 0.758 10.234 -10.318 1.00 72.43 O ATOM 1017 CB SER A 66 -0.275 13.076 -9.071 1.00 23.43 C ATOM 1018 OG SER A 66 -1.572 13.570 -9.394 1.00 23.40 O ATOM 0 H SER A 66 0.038 12.282 -6.708 1.00 1.34 H new ATOM 0 HA SER A 66 -1.234 11.167 -9.038 1.00 4.50 H new ATOM 0 HB2 SER A 66 0.147 13.669 -8.260 1.00 23.43 H new ATOM 0 HB3 SER A 66 0.384 13.197 -9.931 1.00 23.43 H new ATOM 0 HG SER A 66 -1.508 14.514 -9.650 1.00 23.40 H new ATOM 1024 N CYS A 67 2.007 10.939 -8.570 1.00 12.10 N ATOM 1025 CA CYS A 67 3.218 10.278 -9.025 1.00 41.24 C ATOM 1026 C CYS A 67 2.867 8.837 -9.399 1.00 23.54 C ATOM 1027 O CYS A 67 1.746 8.387 -9.168 1.00 12.21 O ATOM 1028 CB CYS A 67 4.327 10.342 -7.973 1.00 71.31 C ATOM 1029 SG CYS A 67 3.742 9.607 -6.403 1.00 20.24 S ATOM 0 H CYS A 67 2.106 11.455 -7.696 1.00 12.10 H new ATOM 0 HA CYS A 67 3.610 10.794 -9.901 1.00 41.24 H new ATOM 0 HB2 CYS A 67 5.208 9.808 -8.328 1.00 71.31 H new ATOM 0 HB3 CYS A 67 4.626 11.377 -7.810 1.00 71.31 H new ATOM 0 HG CYS A 67 4.691 9.664 -5.517 1.00 20.24 H new ATOM 1035 N SER A 68 3.847 8.151 -9.969 1.00 45.51 N ATOM 1036 CA SER A 68 3.656 6.770 -10.376 1.00 64.25 C ATOM 1037 C SER A 68 4.837 5.918 -9.907 1.00 63.21 C ATOM 1038 O SER A 68 5.903 6.446 -9.594 1.00 42.15 O ATOM 1039 CB SER A 68 3.493 6.661 -11.894 1.00 30.43 C ATOM 1040 OG SER A 68 2.751 5.503 -12.269 1.00 1.22 O ATOM 0 H SER A 68 4.776 8.527 -10.159 1.00 45.51 H new ATOM 0 HA SER A 68 2.742 6.400 -9.912 1.00 64.25 H new ATOM 0 HB2 SER A 68 2.989 7.552 -12.270 1.00 30.43 H new ATOM 0 HB3 SER A 68 4.476 6.629 -12.363 1.00 30.43 H new ATOM 0 HG SER A 68 2.667 5.470 -13.245 1.00 1.22 H new ATOM 1046 N ARG A 69 4.608 4.613 -9.873 1.00 12.45 N ATOM 1047 CA ARG A 69 5.639 3.683 -9.447 1.00 24.04 C ATOM 1048 C ARG A 69 7.013 4.157 -9.926 1.00 12.31 C ATOM 1049 O ARG A 69 7.956 4.236 -9.140 1.00 35.32 O ATOM 1050 CB ARG A 69 5.374 2.278 -9.992 1.00 14.40 C ATOM 1051 CG ARG A 69 4.295 1.567 -9.172 1.00 41.04 C ATOM 1052 CD ARG A 69 2.943 1.613 -9.888 1.00 24.32 C ATOM 1053 NE ARG A 69 2.115 0.457 -9.479 1.00 32.25 N ATOM 1054 CZ ARG A 69 2.261 -0.791 -9.971 1.00 72.55 C ATOM 1055 NH1 ARG A 69 3.207 -1.056 -10.898 1.00 34.02 N ATOM 1056 NH2 ARG A 69 1.465 -1.749 -9.534 1.00 71.43 N ATOM 0 H ARG A 69 3.723 4.178 -10.134 1.00 12.45 H new ATOM 0 HA ARG A 69 5.622 3.647 -8.358 1.00 24.04 H new ATOM 0 HB2 ARG A 69 5.061 2.341 -11.034 1.00 14.40 H new ATOM 0 HB3 ARG A 69 6.295 1.696 -9.970 1.00 14.40 H new ATOM 0 HG2 ARG A 69 4.586 0.530 -9.003 1.00 41.04 H new ATOM 0 HG3 ARG A 69 4.208 2.038 -8.193 1.00 41.04 H new ATOM 0 HD2 ARG A 69 2.427 2.543 -9.649 1.00 24.32 H new ATOM 0 HD3 ARG A 69 3.093 1.600 -10.968 1.00 24.32 H new ATOM 0 HE ARG A 69 1.388 0.613 -8.781 1.00 32.25 H new ATOM 0 HH11 ARG A 69 3.818 -0.310 -11.231 1.00 34.02 H new ATOM 0 HH12 ARG A 69 3.311 -2.002 -11.265 1.00 34.02 H new ATOM 0 HH21 ARG A 69 0.752 -1.541 -8.835 1.00 71.43 H new ATOM 0 HH22 ARG A 69 1.562 -2.698 -9.896 1.00 71.43 H new ATOM 1069 N VAL A 70 7.082 4.461 -11.214 1.00 2.44 N ATOM 1070 CA VAL A 70 8.325 4.926 -11.807 1.00 35.10 C ATOM 1071 C VAL A 70 8.078 6.257 -12.520 1.00 73.21 C ATOM 1072 O VAL A 70 8.171 6.336 -13.744 1.00 40.10 O ATOM 1073 CB VAL A 70 8.897 3.850 -12.731 1.00 64.44 C ATOM 1074 CG1 VAL A 70 10.421 3.960 -12.824 1.00 14.34 C ATOM 1075 CG2 VAL A 70 8.476 2.452 -12.273 1.00 52.10 C ATOM 0 H VAL A 70 6.298 4.395 -11.863 1.00 2.44 H new ATOM 0 HA VAL A 70 9.074 5.105 -11.035 1.00 35.10 H new ATOM 0 HB VAL A 70 8.487 4.013 -13.728 1.00 64.44 H new ATOM 0 HG11 VAL A 70 10.802 3.183 -13.487 1.00 14.34 H new ATOM 0 HG12 VAL A 70 10.692 4.939 -13.219 1.00 14.34 H new ATOM 0 HG13 VAL A 70 10.856 3.836 -11.832 1.00 14.34 H new ATOM 0 HG21 VAL A 70 8.896 1.706 -12.948 1.00 52.10 H new ATOM 0 HG22 VAL A 70 8.843 2.275 -11.262 1.00 52.10 H new ATOM 0 HG23 VAL A 70 7.389 2.378 -12.283 1.00 52.10 H new ATOM 1085 N HIS A 71 7.768 7.269 -11.724 1.00 14.50 N ATOM 1086 CA HIS A 71 7.507 8.593 -12.264 1.00 14.12 C ATOM 1087 C HIS A 71 8.622 8.979 -13.238 1.00 12.25 C ATOM 1088 O HIS A 71 8.352 9.404 -14.360 1.00 15.23 O ATOM 1089 CB HIS A 71 7.323 9.612 -11.138 1.00 5.53 C ATOM 1090 CG HIS A 71 7.068 11.021 -11.620 1.00 32.43 C ATOM 1091 ND1 HIS A 71 5.992 11.777 -11.188 1.00 70.13 N ATOM 1092 CD2 HIS A 71 7.760 11.801 -12.499 1.00 15.24 C ATOM 1093 CE1 HIS A 71 6.043 12.957 -11.788 1.00 3.32 C ATOM 1094 NE2 HIS A 71 7.139 12.970 -12.600 1.00 2.21 N ATOM 0 H HIS A 71 7.692 7.199 -10.709 1.00 14.50 H new ATOM 0 HA HIS A 71 6.571 8.584 -12.823 1.00 14.12 H new ATOM 0 HB2 HIS A 71 6.490 9.297 -10.510 1.00 5.53 H new ATOM 0 HB3 HIS A 71 8.214 9.609 -10.510 1.00 5.53 H new ATOM 0 HD2 HIS A 71 8.660 11.516 -13.024 1.00 15.24 H new ATOM 0 HE1 HIS A 71 5.340 13.767 -11.657 1.00 3.32 H new ATOM 0 HE2 HIS A 71 7.433 13.750 -13.188 1.00 2.21 H new ATOM 1103 N ALA A 72 9.852 8.817 -12.773 1.00 12.45 N ATOM 1104 CA ALA A 72 11.009 9.144 -13.588 1.00 62.32 C ATOM 1105 C ALA A 72 12.243 8.439 -13.020 1.00 10.50 C ATOM 1106 O ALA A 72 12.143 7.692 -12.048 1.00 41.02 O ATOM 1107 CB ALA A 72 11.180 10.663 -13.647 1.00 65.12 C ATOM 0 H ALA A 72 10.072 8.463 -11.842 1.00 12.45 H new ATOM 0 HA ALA A 72 10.870 8.793 -14.610 1.00 62.32 H new ATOM 0 HB1 ALA A 72 12.048 10.908 -14.259 1.00 65.12 H new ATOM 0 HB2 ALA A 72 10.289 11.113 -14.085 1.00 65.12 H new ATOM 0 HB3 ALA A 72 11.325 11.052 -12.639 1.00 65.12 H new ATOM 1113 N ALA A 73 13.378 8.703 -13.650 1.00 41.14 N ATOM 1114 CA ALA A 73 14.630 8.104 -13.220 1.00 31.12 C ATOM 1115 C ALA A 73 15.770 9.099 -13.444 1.00 2.24 C ATOM 1116 O ALA A 73 15.753 9.862 -14.408 1.00 53.03 O ATOM 1117 CB ALA A 73 14.850 6.787 -13.968 1.00 12.42 C ATOM 0 H ALA A 73 13.457 9.324 -14.455 1.00 41.14 H new ATOM 0 HA ALA A 73 14.599 7.873 -12.155 1.00 31.12 H new ATOM 0 HB1 ALA A 73 15.789 6.338 -13.645 1.00 12.42 H new ATOM 0 HB2 ALA A 73 14.028 6.104 -13.752 1.00 12.42 H new ATOM 0 HB3 ALA A 73 14.889 6.980 -15.040 1.00 12.42 H new ATOM 1123 N LEU A 74 16.735 9.059 -12.536 1.00 15.11 N ATOM 1124 CA LEU A 74 17.881 9.948 -12.622 1.00 72.01 C ATOM 1125 C LEU A 74 19.051 9.203 -13.267 1.00 23.34 C ATOM 1126 O LEU A 74 19.075 7.973 -13.283 1.00 44.00 O ATOM 1127 CB LEU A 74 18.208 10.535 -11.248 1.00 13.43 C ATOM 1128 CG LEU A 74 19.522 11.313 -11.146 1.00 34.11 C ATOM 1129 CD1 LEU A 74 19.533 12.211 -9.907 1.00 72.32 C ATOM 1130 CD2 LEU A 74 20.723 10.366 -11.178 1.00 70.03 C ATOM 0 H LEU A 74 16.746 8.425 -11.737 1.00 15.11 H new ATOM 0 HA LEU A 74 17.654 10.801 -13.261 1.00 72.01 H new ATOM 0 HB2 LEU A 74 17.393 11.197 -10.954 1.00 13.43 H new ATOM 0 HB3 LEU A 74 18.234 9.721 -10.524 1.00 13.43 H new ATOM 0 HG LEU A 74 19.602 11.964 -12.016 1.00 34.11 H new ATOM 0 HD11 LEU A 74 20.478 12.752 -9.858 1.00 72.32 H new ATOM 0 HD12 LEU A 74 18.709 12.923 -9.966 1.00 72.32 H new ATOM 0 HD13 LEU A 74 19.420 11.598 -9.013 1.00 72.32 H new ATOM 0 HD21 LEU A 74 21.644 10.944 -11.104 1.00 70.03 H new ATOM 0 HD22 LEU A 74 20.662 9.672 -10.340 1.00 70.03 H new ATOM 0 HD23 LEU A 74 20.720 9.806 -12.113 1.00 70.03 H new ATOM 1142 N VAL A 75 19.993 9.979 -13.782 1.00 24.30 N ATOM 1143 CA VAL A 75 21.164 9.407 -14.426 1.00 50.51 C ATOM 1144 C VAL A 75 22.333 10.388 -14.312 1.00 51.01 C ATOM 1145 O VAL A 75 22.200 11.561 -14.658 1.00 70.11 O ATOM 1146 CB VAL A 75 20.835 9.035 -15.873 1.00 63.32 C ATOM 1147 CG1 VAL A 75 22.069 8.484 -16.591 1.00 70.11 C ATOM 1148 CG2 VAL A 75 19.676 8.038 -15.933 1.00 13.52 C ATOM 0 H VAL A 75 19.970 10.999 -13.767 1.00 24.30 H new ATOM 0 HA VAL A 75 21.463 8.485 -13.927 1.00 50.51 H new ATOM 0 HB VAL A 75 20.523 9.943 -16.390 1.00 63.32 H new ATOM 0 HG11 VAL A 75 21.808 8.227 -17.618 1.00 70.11 H new ATOM 0 HG12 VAL A 75 22.855 9.239 -16.594 1.00 70.11 H new ATOM 0 HG13 VAL A 75 22.424 7.593 -16.073 1.00 70.11 H new ATOM 0 HG21 VAL A 75 19.463 7.790 -16.973 1.00 13.52 H new ATOM 0 HG22 VAL A 75 19.948 7.131 -15.392 1.00 13.52 H new ATOM 0 HG23 VAL A 75 18.791 8.481 -15.477 1.00 13.52 H new ATOM 1158 N TYR A 76 23.452 9.871 -13.826 1.00 13.33 N ATOM 1159 CA TYR A 76 24.643 10.687 -13.662 1.00 22.33 C ATOM 1160 C TYR A 76 25.560 10.569 -14.881 1.00 1.20 C ATOM 1161 O TYR A 76 26.122 9.506 -15.139 1.00 45.21 O ATOM 1162 CB TYR A 76 25.370 10.129 -12.436 1.00 42.33 C ATOM 1163 CG TYR A 76 26.613 10.926 -12.034 1.00 14.40 C ATOM 1164 CD1 TYR A 76 26.481 12.075 -11.279 1.00 65.43 C ATOM 1165 CD2 TYR A 76 27.864 10.497 -12.426 1.00 5.44 C ATOM 1166 CE1 TYR A 76 27.651 12.825 -10.901 1.00 32.24 C ATOM 1167 CE2 TYR A 76 29.034 11.248 -12.047 1.00 32.41 C ATOM 1168 CZ TYR A 76 28.869 12.374 -11.303 1.00 43.20 C ATOM 1169 OH TYR A 76 29.974 13.083 -10.945 1.00 74.34 O ATOM 0 H TYR A 76 23.559 8.898 -13.541 1.00 13.33 H new ATOM 0 HA TYR A 76 24.376 11.738 -13.548 1.00 22.33 H new ATOM 0 HB2 TYR A 76 24.677 10.106 -11.595 1.00 42.33 H new ATOM 0 HB3 TYR A 76 25.661 9.098 -12.637 1.00 42.33 H new ATOM 0 HD1 TYR A 76 25.501 12.411 -10.972 1.00 65.43 H new ATOM 0 HD2 TYR A 76 27.967 9.599 -13.017 1.00 5.44 H new ATOM 0 HE1 TYR A 76 27.563 13.726 -10.311 1.00 32.24 H new ATOM 0 HE2 TYR A 76 30.020 10.924 -12.347 1.00 32.41 H new ATOM 0 HH TYR A 76 29.705 13.863 -10.417 1.00 74.34 H new ATOM 1179 N HIS A 77 25.682 11.676 -15.598 1.00 43.44 N ATOM 1180 CA HIS A 77 26.521 11.711 -16.784 1.00 62.03 C ATOM 1181 C HIS A 77 27.982 11.494 -16.386 1.00 23.32 C ATOM 1182 O HIS A 77 28.362 11.745 -15.243 1.00 71.11 O ATOM 1183 CB HIS A 77 26.306 13.010 -17.564 1.00 61.41 C ATOM 1184 CG HIS A 77 26.288 12.830 -19.063 1.00 64.24 C ATOM 1185 ND1 HIS A 77 25.247 12.782 -19.943 1.00 40.04 N flip ATOM 1186 CD2 HIS A 77 27.441 12.674 -19.813 1.00 61.30 C flip ATOM 1187 CE1 HIS A 77 25.737 12.608 -21.164 1.00 1.11 C flip ATOM 1188 NE2 HIS A 77 27.097 12.540 -21.086 1.00 61.42 N flip ATOM 0 H HIS A 77 25.214 12.556 -15.381 1.00 43.44 H new ATOM 0 HA HIS A 77 26.239 10.901 -17.456 1.00 62.03 H new ATOM 0 HB2 HIS A 77 25.363 13.458 -17.251 1.00 61.41 H new ATOM 0 HB3 HIS A 77 27.096 13.714 -17.302 1.00 61.41 H new ATOM 0 HD1 HIS A 77 24.259 12.866 -19.703 1.00 40.04 H new ATOM 0 HD2 HIS A 77 28.449 12.663 -19.427 1.00 61.30 H new ATOM 0 HE1 HIS A 77 25.155 12.533 -22.070 1.00 1.11 H new ATOM 1196 N LYS A 78 28.762 11.029 -17.351 1.00 5.05 N ATOM 1197 CA LYS A 78 30.174 10.775 -17.115 1.00 34.01 C ATOM 1198 C LYS A 78 31.009 11.726 -17.974 1.00 60.14 C ATOM 1199 O LYS A 78 32.000 12.284 -17.505 1.00 72.13 O ATOM 1200 CB LYS A 78 30.497 9.297 -17.341 1.00 70.22 C ATOM 1201 CG LYS A 78 30.514 8.962 -18.834 1.00 70.40 C ATOM 1202 CD LYS A 78 30.324 7.461 -19.061 1.00 74.51 C ATOM 1203 CE LYS A 78 31.473 6.662 -18.443 1.00 2.42 C ATOM 1204 NZ LYS A 78 31.002 5.329 -18.007 1.00 24.24 N ATOM 0 H LYS A 78 28.444 10.821 -18.298 1.00 5.05 H new ATOM 0 HA LYS A 78 30.429 10.978 -16.075 1.00 34.01 H new ATOM 0 HB2 LYS A 78 31.466 9.061 -16.901 1.00 70.22 H new ATOM 0 HB3 LYS A 78 29.757 8.678 -16.834 1.00 70.22 H new ATOM 0 HG2 LYS A 78 29.724 9.513 -19.343 1.00 70.40 H new ATOM 0 HG3 LYS A 78 31.459 9.283 -19.272 1.00 70.40 H new ATOM 0 HD2 LYS A 78 29.378 7.141 -18.625 1.00 74.51 H new ATOM 0 HD3 LYS A 78 30.268 7.256 -20.130 1.00 74.51 H new ATOM 0 HE2 LYS A 78 32.278 6.550 -19.170 1.00 2.42 H new ATOM 0 HE3 LYS A 78 31.885 7.205 -17.592 1.00 2.42 H new ATOM 0 HZ1 LYS A 78 31.480 5.064 -17.122 1.00 24.24 H new ATOM 0 HZ2 LYS A 78 29.974 5.358 -17.850 1.00 24.24 H new ATOM 0 HZ3 LYS A 78 31.220 4.626 -18.742 1.00 24.24 H new ATOM 1217 N HIS A 79 30.578 11.881 -19.218 1.00 4.33 N ATOM 1218 CA HIS A 79 31.274 12.755 -20.147 1.00 3.10 C ATOM 1219 C HIS A 79 30.972 14.215 -19.803 1.00 72.13 C ATOM 1220 O HIS A 79 31.592 15.126 -20.349 1.00 11.41 O ATOM 1221 CB HIS A 79 30.922 12.401 -21.593 1.00 51.01 C ATOM 1222 CG HIS A 79 30.721 10.924 -21.832 1.00 74.41 C ATOM 1223 ND1 HIS A 79 31.758 10.070 -22.164 1.00 71.32 N ATOM 1224 CD2 HIS A 79 29.593 10.158 -21.783 1.00 14.34 C ATOM 1225 CE1 HIS A 79 31.265 8.848 -22.307 1.00 12.32 C ATOM 1226 NE2 HIS A 79 29.923 8.905 -22.070 1.00 54.45 N ATOM 0 H HIS A 79 29.756 11.416 -19.604 1.00 4.33 H new ATOM 0 HA HIS A 79 32.350 12.611 -20.051 1.00 3.10 H new ATOM 0 HB2 HIS A 79 30.012 12.931 -21.875 1.00 51.01 H new ATOM 0 HB3 HIS A 79 31.716 12.760 -22.248 1.00 51.01 H new ATOM 0 HD1 HIS A 79 32.736 10.336 -22.279 1.00 71.32 H new ATOM 0 HD2 HIS A 79 28.599 10.512 -21.550 1.00 14.34 H new ATOM 0 HE1 HIS A 79 31.827 7.963 -22.566 1.00 12.32 H new ATOM 1234 N LEU A 80 30.018 14.391 -18.900 1.00 45.43 N ATOM 1235 CA LEU A 80 29.626 15.725 -18.477 1.00 70.12 C ATOM 1236 C LEU A 80 29.897 15.881 -16.980 1.00 23.45 C ATOM 1237 O LEU A 80 30.148 16.986 -16.502 1.00 51.21 O ATOM 1238 CB LEU A 80 28.175 16.007 -18.872 1.00 31.11 C ATOM 1239 CG LEU A 80 27.865 15.957 -20.370 1.00 4.45 C ATOM 1240 CD1 LEU A 80 26.434 16.420 -20.649 1.00 43.42 C ATOM 1241 CD2 LEU A 80 28.894 16.760 -21.169 1.00 0.03 C ATOM 0 H LEU A 80 29.505 13.633 -18.450 1.00 45.43 H new ATOM 0 HA LEU A 80 30.224 16.478 -18.990 1.00 70.12 H new ATOM 0 HB2 LEU A 80 27.535 15.286 -18.364 1.00 31.11 H new ATOM 0 HB3 LEU A 80 27.903 16.994 -18.498 1.00 31.11 H new ATOM 0 HG LEU A 80 27.938 14.921 -20.700 1.00 4.45 H new ATOM 0 HD11 LEU A 80 26.239 16.375 -21.721 1.00 43.42 H new ATOM 0 HD12 LEU A 80 25.733 15.770 -20.125 1.00 43.42 H new ATOM 0 HD13 LEU A 80 26.309 17.445 -20.300 1.00 43.42 H new ATOM 0 HD21 LEU A 80 28.651 16.708 -22.230 1.00 0.03 H new ATOM 0 HD22 LEU A 80 28.877 17.800 -20.843 1.00 0.03 H new ATOM 0 HD23 LEU A 80 29.888 16.344 -21.004 1.00 0.03 H new ATOM 1253 N LYS A 81 29.838 14.757 -16.280 1.00 41.00 N ATOM 1254 CA LYS A 81 30.074 14.755 -14.846 1.00 63.33 C ATOM 1255 C LYS A 81 28.918 15.467 -14.142 1.00 40.51 C ATOM 1256 O LYS A 81 29.124 16.154 -13.142 1.00 71.05 O ATOM 1257 CB LYS A 81 31.448 15.349 -14.529 1.00 31.04 C ATOM 1258 CG LYS A 81 32.569 14.446 -15.047 1.00 21.25 C ATOM 1259 CD LYS A 81 32.962 14.824 -16.476 1.00 53.11 C ATOM 1260 CE LYS A 81 33.695 16.167 -16.506 1.00 70.42 C ATOM 1261 NZ LYS A 81 35.157 15.961 -16.397 1.00 54.34 N ATOM 0 H LYS A 81 29.630 13.842 -16.679 1.00 41.00 H new ATOM 0 HA LYS A 81 30.098 13.734 -14.465 1.00 63.33 H new ATOM 0 HB2 LYS A 81 31.534 16.337 -14.981 1.00 31.04 H new ATOM 0 HB3 LYS A 81 31.551 15.481 -13.452 1.00 31.04 H new ATOM 0 HG2 LYS A 81 33.438 14.528 -14.394 1.00 21.25 H new ATOM 0 HG3 LYS A 81 32.245 13.406 -15.018 1.00 21.25 H new ATOM 0 HD2 LYS A 81 33.600 14.048 -16.899 1.00 53.11 H new ATOM 0 HD3 LYS A 81 32.070 14.878 -17.100 1.00 53.11 H new ATOM 0 HE2 LYS A 81 33.464 16.694 -17.432 1.00 70.42 H new ATOM 0 HE3 LYS A 81 33.348 16.796 -15.686 1.00 70.42 H new ATOM 0 HZ1 LYS A 81 35.640 16.882 -16.419 1.00 54.34 H new ATOM 0 HZ2 LYS A 81 35.374 15.478 -15.502 1.00 54.34 H new ATOM 0 HZ3 LYS A 81 35.486 15.379 -17.193 1.00 54.34 H new ATOM 1274 N ARG A 82 27.727 15.280 -14.692 1.00 1.15 N ATOM 1275 CA ARG A 82 26.538 15.897 -14.129 1.00 32.34 C ATOM 1276 C ARG A 82 25.439 14.850 -13.932 1.00 64.22 C ATOM 1277 O ARG A 82 25.691 13.652 -14.052 1.00 34.44 O ATOM 1278 CB ARG A 82 26.014 17.012 -15.036 1.00 33.24 C ATOM 1279 CG ARG A 82 26.699 16.974 -16.403 1.00 2.11 C ATOM 1280 CD ARG A 82 26.079 17.998 -17.356 1.00 33.22 C ATOM 1281 NE ARG A 82 27.084 19.019 -17.727 1.00 21.54 N ATOM 1282 CZ ARG A 82 27.044 19.741 -18.866 1.00 65.14 C ATOM 1283 NH1 ARG A 82 26.047 19.560 -19.758 1.00 11.11 N ATOM 1284 NH2 ARG A 82 27.996 20.627 -19.096 1.00 71.43 N ATOM 0 H ARG A 82 27.560 14.710 -15.521 1.00 1.15 H new ATOM 0 HA ARG A 82 26.812 16.327 -13.166 1.00 32.34 H new ATOM 0 HB2 ARG A 82 24.936 16.907 -15.162 1.00 33.24 H new ATOM 0 HB3 ARG A 82 26.187 17.980 -14.565 1.00 33.24 H new ATOM 0 HG2 ARG A 82 27.763 17.178 -16.286 1.00 2.11 H new ATOM 0 HG3 ARG A 82 26.611 15.975 -16.830 1.00 2.11 H new ATOM 0 HD2 ARG A 82 25.710 17.497 -18.251 1.00 33.22 H new ATOM 0 HD3 ARG A 82 25.222 18.476 -16.882 1.00 33.22 H new ATOM 0 HE ARG A 82 27.855 19.187 -17.081 1.00 21.54 H new ATOM 0 HH11 ARG A 82 25.316 18.873 -19.573 1.00 11.11 H new ATOM 0 HH12 ARG A 82 26.025 20.110 -20.617 1.00 11.11 H new ATOM 0 HH21 ARG A 82 28.746 20.757 -18.417 1.00 71.43 H new ATOM 0 HH22 ARG A 82 27.981 21.181 -19.952 1.00 71.43 H new ATOM 1297 N VAL A 83 24.245 15.340 -13.634 1.00 42.23 N ATOM 1298 CA VAL A 83 23.108 14.462 -13.420 1.00 74.13 C ATOM 1299 C VAL A 83 22.061 14.717 -14.507 1.00 33.54 C ATOM 1300 O VAL A 83 22.140 15.709 -15.229 1.00 74.33 O ATOM 1301 CB VAL A 83 22.559 14.652 -12.005 1.00 32.02 C ATOM 1302 CG1 VAL A 83 21.254 13.875 -11.814 1.00 5.53 C ATOM 1303 CG2 VAL A 83 23.596 14.248 -10.956 1.00 25.14 C ATOM 0 H VAL A 83 24.040 16.334 -13.536 1.00 42.23 H new ATOM 0 HA VAL A 83 23.411 13.418 -13.499 1.00 74.13 H new ATOM 0 HB VAL A 83 22.341 15.711 -11.870 1.00 32.02 H new ATOM 0 HG11 VAL A 83 20.885 14.027 -10.800 1.00 5.53 H new ATOM 0 HG12 VAL A 83 20.511 14.231 -12.528 1.00 5.53 H new ATOM 0 HG13 VAL A 83 21.436 12.813 -11.978 1.00 5.53 H new ATOM 0 HG21 VAL A 83 23.180 14.393 -9.959 1.00 25.14 H new ATOM 0 HG22 VAL A 83 23.860 13.199 -11.090 1.00 25.14 H new ATOM 0 HG23 VAL A 83 24.488 14.864 -11.070 1.00 25.14 H new ATOM 1313 N PHE A 84 21.104 13.803 -14.588 1.00 3.35 N ATOM 1314 CA PHE A 84 20.043 13.916 -15.573 1.00 51.55 C ATOM 1315 C PHE A 84 18.732 13.338 -15.037 1.00 20.02 C ATOM 1316 O PHE A 84 18.743 12.404 -14.237 1.00 21.40 O ATOM 1317 CB PHE A 84 20.481 13.108 -16.796 1.00 55.04 C ATOM 1318 CG PHE A 84 21.303 13.907 -17.809 1.00 2.40 C ATOM 1319 CD1 PHE A 84 22.648 14.030 -17.647 1.00 12.41 C ATOM 1320 CD2 PHE A 84 20.690 14.495 -18.871 1.00 74.11 C ATOM 1321 CE1 PHE A 84 23.411 14.772 -18.587 1.00 3.33 C ATOM 1322 CE2 PHE A 84 21.453 15.237 -19.811 1.00 21.22 C ATOM 1323 CZ PHE A 84 22.798 15.360 -19.649 1.00 32.21 C ATOM 0 H PHE A 84 21.042 12.981 -13.987 1.00 3.35 H new ATOM 0 HA PHE A 84 19.873 14.964 -15.817 1.00 51.55 H new ATOM 0 HB2 PHE A 84 21.068 12.252 -16.462 1.00 55.04 H new ATOM 0 HB3 PHE A 84 19.595 12.713 -17.293 1.00 55.04 H new ATOM 0 HD1 PHE A 84 23.135 13.563 -16.804 1.00 12.41 H new ATOM 0 HD2 PHE A 84 19.622 14.398 -19.000 1.00 74.11 H new ATOM 0 HE1 PHE A 84 24.479 14.869 -18.458 1.00 3.33 H new ATOM 0 HE2 PHE A 84 20.966 15.704 -20.654 1.00 21.22 H new ATOM 0 HZ PHE A 84 23.379 15.924 -20.364 1.00 32.21 H new ATOM 1333 N LEU A 85 17.634 13.918 -15.499 1.00 33.54 N ATOM 1334 CA LEU A 85 16.317 13.471 -15.075 1.00 44.31 C ATOM 1335 C LEU A 85 15.512 13.036 -16.301 1.00 64.41 C ATOM 1336 O LEU A 85 15.079 13.871 -17.093 1.00 10.44 O ATOM 1337 CB LEU A 85 15.628 14.552 -14.239 1.00 65.04 C ATOM 1338 CG LEU A 85 14.208 14.232 -13.769 1.00 40.41 C ATOM 1339 CD1 LEU A 85 13.983 12.721 -13.691 1.00 4.12 C ATOM 1340 CD2 LEU A 85 13.901 14.927 -12.441 1.00 12.10 C ATOM 0 H LEU A 85 17.629 14.693 -16.162 1.00 33.54 H new ATOM 0 HA LEU A 85 16.401 12.601 -14.423 1.00 44.31 H new ATOM 0 HB2 LEU A 85 16.243 14.752 -13.362 1.00 65.04 H new ATOM 0 HB3 LEU A 85 15.597 15.471 -14.824 1.00 65.04 H new ATOM 0 HG LEU A 85 13.508 14.623 -14.507 1.00 40.41 H new ATOM 0 HD11 LEU A 85 12.966 12.522 -13.354 1.00 4.12 H new ATOM 0 HD12 LEU A 85 14.132 12.280 -14.676 1.00 4.12 H new ATOM 0 HD13 LEU A 85 14.691 12.284 -12.987 1.00 4.12 H new ATOM 0 HD21 LEU A 85 12.885 14.683 -12.129 1.00 12.10 H new ATOM 0 HD22 LEU A 85 14.605 14.588 -11.681 1.00 12.10 H new ATOM 0 HD23 LEU A 85 13.993 16.006 -12.565 1.00 12.10 H new ATOM 1352 N ILE A 86 15.337 11.728 -16.420 1.00 32.32 N ATOM 1353 CA ILE A 86 14.592 11.171 -17.536 1.00 74.10 C ATOM 1354 C ILE A 86 13.130 10.984 -17.125 1.00 32.31 C ATOM 1355 O ILE A 86 12.812 10.095 -16.336 1.00 10.32 O ATOM 1356 CB ILE A 86 15.258 9.889 -18.039 1.00 20.21 C ATOM 1357 CG1 ILE A 86 16.760 9.901 -17.747 1.00 31.54 C ATOM 1358 CG2 ILE A 86 14.965 9.664 -19.524 1.00 12.43 C ATOM 1359 CD1 ILE A 86 17.515 8.995 -18.721 1.00 62.41 C ATOM 0 H ILE A 86 15.698 11.038 -15.762 1.00 32.32 H new ATOM 0 HA ILE A 86 14.601 11.860 -18.381 1.00 74.10 H new ATOM 0 HB ILE A 86 14.830 9.046 -17.496 1.00 20.21 H new ATOM 0 HG12 ILE A 86 17.141 10.920 -17.823 1.00 31.54 H new ATOM 0 HG13 ILE A 86 16.938 9.569 -16.724 1.00 31.54 H new ATOM 0 HG21 ILE A 86 15.450 8.746 -19.856 1.00 12.43 H new ATOM 0 HG22 ILE A 86 13.889 9.580 -19.674 1.00 12.43 H new ATOM 0 HG23 ILE A 86 15.347 10.506 -20.102 1.00 12.43 H new ATOM 0 HD11 ILE A 86 18.580 9.022 -18.492 1.00 62.41 H new ATOM 0 HD12 ILE A 86 17.149 7.973 -18.625 1.00 62.41 H new ATOM 0 HD13 ILE A 86 17.355 9.344 -19.741 1.00 62.41 H new ATOM 1371 N ASP A 87 12.279 11.835 -17.678 1.00 40.35 N ATOM 1372 CA ASP A 87 10.858 11.775 -17.379 1.00 64.13 C ATOM 1373 C ASP A 87 10.255 10.534 -18.040 1.00 32.10 C ATOM 1374 O ASP A 87 9.919 10.557 -19.223 1.00 45.22 O ATOM 1375 CB ASP A 87 10.128 13.004 -17.925 1.00 31.51 C ATOM 1376 CG ASP A 87 8.607 12.979 -17.758 1.00 62.43 C ATOM 1377 OD1 ASP A 87 7.899 12.252 -18.470 1.00 74.34 O ATOM 1378 OD2 ASP A 87 8.147 13.758 -16.839 1.00 73.03 O ATOM 0 H ASP A 87 12.546 12.571 -18.332 1.00 40.35 H new ATOM 0 HA ASP A 87 10.742 11.739 -16.296 1.00 64.13 H new ATOM 0 HB2 ASP A 87 10.519 13.891 -17.427 1.00 31.51 H new ATOM 0 HB3 ASP A 87 10.361 13.105 -18.985 1.00 31.51 H new ATOM 1384 N LEU A 88 10.135 9.480 -17.247 1.00 33.44 N ATOM 1385 CA LEU A 88 9.577 8.232 -17.740 1.00 24.43 C ATOM 1386 C LEU A 88 8.069 8.394 -17.937 1.00 50.52 C ATOM 1387 O LEU A 88 7.280 7.991 -17.084 1.00 24.12 O ATOM 1388 CB LEU A 88 9.955 7.073 -16.814 1.00 11.52 C ATOM 1389 CG LEU A 88 11.452 6.862 -16.580 1.00 41.04 C ATOM 1390 CD1 LEU A 88 11.718 5.509 -15.918 1.00 60.33 C ATOM 1391 CD2 LEU A 88 12.239 7.028 -17.882 1.00 72.32 C ATOM 0 H LEU A 88 10.415 9.464 -16.266 1.00 33.44 H new ATOM 0 HA LEU A 88 10.001 7.984 -18.713 1.00 24.43 H new ATOM 0 HB2 LEU A 88 9.476 7.234 -15.848 1.00 11.52 H new ATOM 0 HB3 LEU A 88 9.539 6.154 -17.227 1.00 11.52 H new ATOM 0 HG LEU A 88 11.802 7.631 -15.892 1.00 41.04 H new ATOM 0 HD11 LEU A 88 12.790 5.384 -15.763 1.00 60.33 H new ATOM 0 HD12 LEU A 88 11.205 5.467 -14.957 1.00 60.33 H new ATOM 0 HD13 LEU A 88 11.349 4.710 -16.562 1.00 60.33 H new ATOM 0 HD21 LEU A 88 13.300 6.873 -17.688 1.00 72.32 H new ATOM 0 HD22 LEU A 88 11.893 6.296 -18.612 1.00 72.32 H new ATOM 0 HD23 LEU A 88 12.085 8.033 -18.275 1.00 72.32 H new ATOM 1403 N ASN A 89 7.713 8.987 -19.068 1.00 20.33 N ATOM 1404 CA ASN A 89 6.313 9.208 -19.388 1.00 61.11 C ATOM 1405 C ASN A 89 5.536 9.481 -18.099 1.00 22.24 C ATOM 1406 O ASN A 89 4.528 8.830 -17.828 1.00 11.52 O ATOM 1407 CB ASN A 89 5.700 7.976 -20.058 1.00 1.52 C ATOM 1408 CG ASN A 89 6.402 6.697 -19.600 1.00 23.42 C ATOM 1409 OD1 ASN A 89 7.651 6.576 -20.043 1.00 74.00 O flip ATOM 1410 ND2 ASN A 89 5.848 5.873 -18.891 1.00 15.21 N flip ATOM 0 H ASN A 89 8.370 9.321 -19.773 1.00 20.33 H new ATOM 0 HA ASN A 89 6.253 10.057 -20.069 1.00 61.11 H new ATOM 0 HB2 ASN A 89 4.638 7.918 -19.819 1.00 1.52 H new ATOM 0 HB3 ASN A 89 5.778 8.070 -21.141 1.00 1.52 H new ATOM 0 HD21 ASN A 89 4.887 6.027 -18.586 1.00 15.21 H new ATOM 0 HD22 ASN A 89 6.346 5.030 -18.604 1.00 15.21 H new ATOM 1417 N SER A 90 6.035 10.444 -17.337 1.00 61.44 N ATOM 1418 CA SER A 90 5.400 10.811 -16.083 1.00 24.51 C ATOM 1419 C SER A 90 3.938 11.189 -16.327 1.00 43.23 C ATOM 1420 O SER A 90 3.615 11.812 -17.338 1.00 21.42 O ATOM 1421 CB SER A 90 6.142 11.966 -15.408 1.00 22.34 C ATOM 1422 OG SER A 90 5.388 12.533 -14.340 1.00 12.00 O ATOM 0 H SER A 90 6.872 10.981 -17.564 1.00 61.44 H new ATOM 0 HA SER A 90 5.439 9.950 -15.415 1.00 24.51 H new ATOM 0 HB2 SER A 90 7.099 11.609 -15.027 1.00 22.34 H new ATOM 0 HB3 SER A 90 6.361 12.737 -16.147 1.00 22.34 H new ATOM 0 HG SER A 90 5.895 13.267 -13.935 1.00 12.00 H new ATOM 1428 N THR A 91 3.093 10.798 -15.385 1.00 25.42 N ATOM 1429 CA THR A 91 1.673 11.088 -15.485 1.00 43.20 C ATOM 1430 C THR A 91 1.454 12.467 -16.110 1.00 10.41 C ATOM 1431 O THR A 91 0.656 12.614 -17.034 1.00 53.31 O ATOM 1432 CB THR A 91 1.063 10.950 -14.089 1.00 73.51 C ATOM 1433 OG1 THR A 91 0.019 11.919 -14.069 1.00 12.32 O ATOM 1434 CG2 THR A 91 2.017 11.407 -12.984 1.00 64.33 C ATOM 0 H THR A 91 3.365 10.282 -14.548 1.00 25.42 H new ATOM 0 HA THR A 91 1.170 10.382 -16.146 1.00 43.20 H new ATOM 0 HB THR A 91 0.782 9.911 -13.918 1.00 73.51 H new ATOM 0 HG1 THR A 91 -0.325 12.010 -13.156 1.00 12.32 H new ATOM 0 HG21 THR A 91 1.534 11.288 -12.014 1.00 64.33 H new ATOM 0 HG22 THR A 91 2.924 10.804 -13.014 1.00 64.33 H new ATOM 0 HG23 THR A 91 2.273 12.456 -13.135 1.00 64.33 H new ATOM 1442 N HIS A 92 2.177 13.443 -15.580 1.00 51.34 N ATOM 1443 CA HIS A 92 2.071 14.806 -16.075 1.00 24.43 C ATOM 1444 C HIS A 92 3.336 15.168 -16.856 1.00 23.44 C ATOM 1445 O HIS A 92 3.296 15.316 -18.076 1.00 72.30 O ATOM 1446 CB HIS A 92 1.783 15.778 -14.929 1.00 51.24 C ATOM 1447 CG HIS A 92 0.989 15.174 -13.796 1.00 25.34 C ATOM 1448 ND1 HIS A 92 -0.357 15.431 -13.602 1.00 64.41 N ATOM 1449 CD2 HIS A 92 1.366 14.322 -12.799 1.00 61.21 C ATOM 1450 CE1 HIS A 92 -0.761 14.759 -12.534 1.00 52.30 C ATOM 1451 NE2 HIS A 92 0.308 14.073 -12.037 1.00 51.25 N ATOM 0 H HIS A 92 2.838 13.318 -14.813 1.00 51.34 H new ATOM 0 HA HIS A 92 1.228 14.884 -16.761 1.00 24.43 H new ATOM 0 HB2 HIS A 92 2.729 16.152 -14.537 1.00 51.24 H new ATOM 0 HB3 HIS A 92 1.239 16.637 -15.323 1.00 51.24 H new ATOM 0 HD1 HIS A 92 -0.939 16.035 -14.182 1.00 64.41 H new ATOM 0 HD2 HIS A 92 2.357 13.919 -12.654 1.00 61.21 H new ATOM 0 HE1 HIS A 92 -1.762 14.755 -12.128 1.00 52.30 H new ATOM 1459 N GLY A 93 4.430 15.300 -16.120 1.00 30.45 N ATOM 1460 CA GLY A 93 5.705 15.641 -16.728 1.00 14.54 C ATOM 1461 C GLY A 93 6.709 16.107 -15.671 1.00 70.42 C ATOM 1462 O GLY A 93 6.344 16.331 -14.518 1.00 74.33 O ATOM 0 H GLY A 93 4.460 15.177 -15.108 1.00 30.45 H new ATOM 0 HA2 GLY A 93 6.103 14.775 -17.256 1.00 14.54 H new ATOM 0 HA3 GLY A 93 5.560 16.427 -17.469 1.00 14.54 H new ATOM 1466 N THR A 94 7.955 16.238 -16.103 1.00 32.15 N ATOM 1467 CA THR A 94 9.015 16.672 -15.208 1.00 55.33 C ATOM 1468 C THR A 94 9.623 17.987 -15.701 1.00 71.42 C ATOM 1469 O THR A 94 9.644 18.253 -16.902 1.00 3.22 O ATOM 1470 CB THR A 94 10.033 15.536 -15.095 1.00 11.10 C ATOM 1471 OG1 THR A 94 9.248 14.400 -14.743 1.00 51.12 O ATOM 1472 CG2 THR A 94 10.981 15.716 -13.908 1.00 21.23 C ATOM 0 H THR A 94 8.254 16.051 -17.060 1.00 32.15 H new ATOM 0 HA THR A 94 8.630 16.882 -14.210 1.00 55.33 H new ATOM 0 HB THR A 94 10.612 15.475 -16.016 1.00 11.10 H new ATOM 0 HG1 THR A 94 9.042 13.882 -15.549 1.00 51.12 H new ATOM 0 HG21 THR A 94 11.683 14.883 -13.873 1.00 21.23 H new ATOM 0 HG22 THR A 94 11.532 16.650 -14.020 1.00 21.23 H new ATOM 0 HG23 THR A 94 10.405 15.744 -12.983 1.00 21.23 H new ATOM 1480 N PHE A 95 10.103 18.773 -14.749 1.00 55.31 N ATOM 1481 CA PHE A 95 10.710 20.054 -15.071 1.00 73.53 C ATOM 1482 C PHE A 95 12.025 20.243 -14.313 1.00 12.13 C ATOM 1483 O PHE A 95 12.325 19.492 -13.386 1.00 13.12 O ATOM 1484 CB PHE A 95 9.723 21.139 -14.636 1.00 72.34 C ATOM 1485 CG PHE A 95 8.726 21.545 -15.724 1.00 0.33 C ATOM 1486 CD1 PHE A 95 7.838 20.635 -16.207 1.00 2.40 C ATOM 1487 CD2 PHE A 95 8.728 22.817 -16.207 1.00 31.42 C ATOM 1488 CE1 PHE A 95 6.913 21.013 -17.216 1.00 61.20 C ATOM 1489 CE2 PHE A 95 7.803 23.194 -17.216 1.00 32.02 C ATOM 1490 CZ PHE A 95 6.915 22.284 -17.699 1.00 51.21 C ATOM 0 H PHE A 95 10.084 18.548 -13.754 1.00 55.31 H new ATOM 0 HA PHE A 95 10.926 20.106 -16.138 1.00 73.53 H new ATOM 0 HB2 PHE A 95 9.171 20.786 -13.765 1.00 72.34 H new ATOM 0 HB3 PHE A 95 10.282 22.020 -14.323 1.00 72.34 H new ATOM 0 HD1 PHE A 95 7.836 19.625 -15.823 1.00 2.40 H new ATOM 0 HD2 PHE A 95 9.433 23.540 -15.823 1.00 31.42 H new ATOM 0 HE1 PHE A 95 6.208 20.291 -17.600 1.00 61.20 H new ATOM 0 HE2 PHE A 95 7.804 24.203 -17.600 1.00 32.02 H new ATOM 0 HZ PHE A 95 6.211 22.571 -18.466 1.00 51.21 H new ATOM 1500 N LEU A 96 12.774 21.251 -14.734 1.00 62.05 N ATOM 1501 CA LEU A 96 14.050 21.549 -14.106 1.00 63.24 C ATOM 1502 C LEU A 96 14.008 22.962 -13.521 1.00 64.14 C ATOM 1503 O LEU A 96 14.863 23.791 -13.830 1.00 71.03 O ATOM 1504 CB LEU A 96 15.198 21.325 -15.093 1.00 41.31 C ATOM 1505 CG LEU A 96 16.598 21.677 -14.584 1.00 72.54 C ATOM 1506 CD1 LEU A 96 16.832 21.103 -13.185 1.00 44.54 C ATOM 1507 CD2 LEU A 96 17.671 21.224 -15.576 1.00 42.45 C ATOM 0 H LEU A 96 12.522 21.872 -15.503 1.00 62.05 H new ATOM 0 HA LEU A 96 14.236 20.866 -13.277 1.00 63.24 H new ATOM 0 HB2 LEU A 96 15.195 20.277 -15.392 1.00 41.31 H new ATOM 0 HB3 LEU A 96 15.000 21.913 -15.989 1.00 41.31 H new ATOM 0 HG LEU A 96 16.671 22.762 -14.504 1.00 72.54 H new ATOM 0 HD11 LEU A 96 17.834 21.367 -12.846 1.00 44.54 H new ATOM 0 HD12 LEU A 96 16.095 21.515 -12.495 1.00 44.54 H new ATOM 0 HD13 LEU A 96 16.734 20.018 -13.216 1.00 44.54 H new ATOM 0 HD21 LEU A 96 18.656 21.486 -15.191 1.00 42.45 H new ATOM 0 HD22 LEU A 96 17.609 20.144 -15.711 1.00 42.45 H new ATOM 0 HD23 LEU A 96 17.513 21.719 -16.534 1.00 42.45 H new ATOM 1519 N GLY A 97 13.006 23.193 -12.687 1.00 34.00 N ATOM 1520 CA GLY A 97 12.841 24.491 -12.056 1.00 1.50 C ATOM 1521 C GLY A 97 11.864 25.365 -12.845 1.00 75.32 C ATOM 1522 O GLY A 97 10.787 25.698 -12.353 1.00 12.22 O ATOM 0 H GLY A 97 12.299 22.503 -12.433 1.00 34.00 H new ATOM 0 HA2 GLY A 97 12.476 24.360 -11.037 1.00 1.50 H new ATOM 0 HA3 GLY A 97 13.807 24.991 -11.987 1.00 1.50 H new ATOM 1526 N HIS A 98 12.274 25.710 -14.057 1.00 12.24 N ATOM 1527 CA HIS A 98 11.448 26.538 -14.919 1.00 14.23 C ATOM 1528 C HIS A 98 11.509 26.007 -16.352 1.00 51.34 C ATOM 1529 O HIS A 98 11.092 26.688 -17.289 1.00 22.34 O ATOM 1530 CB HIS A 98 11.856 28.009 -14.813 1.00 70.11 C ATOM 1531 CG HIS A 98 12.880 28.437 -15.837 1.00 25.23 C ATOM 1532 ND1 HIS A 98 12.741 28.766 -17.153 1.00 21.43 N flip ATOM 1533 CD2 HIS A 98 14.227 28.562 -15.543 1.00 5.20 C flip ATOM 1534 CE1 HIS A 98 13.938 29.077 -17.636 1.00 4.13 C flip ATOM 1535 NE2 HIS A 98 14.860 28.950 -16.640 1.00 71.14 N flip ATOM 0 H HIS A 98 13.167 25.431 -14.462 1.00 12.24 H new ATOM 0 HA HIS A 98 10.409 26.485 -14.593 1.00 14.23 H new ATOM 0 HB2 HIS A 98 10.967 28.631 -14.921 1.00 70.11 H new ATOM 0 HB3 HIS A 98 12.255 28.194 -13.816 1.00 70.11 H new ATOM 0 HD1 HIS A 98 11.866 28.772 -17.677 1.00 21.43 H new ATOM 0 HD2 HIS A 98 14.684 28.375 -14.583 1.00 5.20 H new ATOM 0 HE1 HIS A 98 14.147 29.381 -18.651 1.00 4.13 H new ATOM 1543 N ILE A 99 12.032 24.797 -16.479 1.00 70.30 N ATOM 1544 CA ILE A 99 12.153 24.166 -17.783 1.00 3.43 C ATOM 1545 C ILE A 99 11.357 22.860 -17.789 1.00 24.23 C ATOM 1546 O ILE A 99 11.211 22.213 -16.753 1.00 1.14 O ATOM 1547 CB ILE A 99 13.626 23.991 -18.158 1.00 42.20 C ATOM 1548 CG1 ILE A 99 14.409 25.285 -17.924 1.00 23.41 C ATOM 1549 CG2 ILE A 99 13.769 23.487 -19.595 1.00 63.53 C ATOM 1550 CD1 ILE A 99 15.904 25.073 -18.174 1.00 11.40 C ATOM 0 H ILE A 99 12.377 24.236 -15.700 1.00 70.30 H new ATOM 0 HA ILE A 99 11.725 24.804 -18.556 1.00 3.43 H new ATOM 0 HB ILE A 99 14.057 23.232 -17.506 1.00 42.20 H new ATOM 0 HG12 ILE A 99 14.033 26.066 -18.585 1.00 23.41 H new ATOM 0 HG13 ILE A 99 14.253 25.629 -16.902 1.00 23.41 H new ATOM 0 HG21 ILE A 99 14.826 23.371 -19.836 1.00 63.53 H new ATOM 0 HG22 ILE A 99 13.266 22.525 -19.695 1.00 63.53 H new ATOM 0 HG23 ILE A 99 13.317 24.205 -20.279 1.00 63.53 H new ATOM 0 HD11 ILE A 99 16.438 26.007 -18.001 1.00 11.40 H new ATOM 0 HD12 ILE A 99 16.282 24.308 -17.495 1.00 11.40 H new ATOM 0 HD13 ILE A 99 16.059 24.752 -19.204 1.00 11.40 H new ATOM 1562 N ARG A 100 10.864 22.510 -18.968 1.00 10.25 N ATOM 1563 CA ARG A 100 10.087 21.292 -19.122 1.00 53.31 C ATOM 1564 C ARG A 100 10.925 20.211 -19.807 1.00 72.01 C ATOM 1565 O ARG A 100 11.660 20.496 -20.751 1.00 72.45 O ATOM 1566 CB ARG A 100 8.823 21.546 -19.946 1.00 13.41 C ATOM 1567 CG ARG A 100 9.138 21.561 -21.443 1.00 51.41 C ATOM 1568 CD ARG A 100 8.909 20.182 -22.065 1.00 51.54 C ATOM 1569 NE ARG A 100 7.555 19.692 -21.724 1.00 70.21 N ATOM 1570 CZ ARG A 100 6.442 19.991 -22.427 1.00 70.11 C ATOM 1571 NH1 ARG A 100 6.513 20.783 -23.518 1.00 11.10 N ATOM 1572 NH2 ARG A 100 5.283 19.497 -22.032 1.00 3.42 N ATOM 0 H ARG A 100 10.988 23.049 -19.825 1.00 10.25 H new ATOM 0 HA ARG A 100 9.797 20.955 -18.127 1.00 53.31 H new ATOM 0 HB2 ARG A 100 8.085 20.773 -19.734 1.00 13.41 H new ATOM 0 HB3 ARG A 100 8.380 22.498 -19.654 1.00 13.41 H new ATOM 0 HG2 ARG A 100 8.510 22.298 -21.943 1.00 51.41 H new ATOM 0 HG3 ARG A 100 10.173 21.866 -21.598 1.00 51.41 H new ATOM 0 HD2 ARG A 100 9.022 20.239 -23.148 1.00 51.54 H new ATOM 0 HD3 ARG A 100 9.661 19.481 -21.702 1.00 51.54 H new ATOM 0 HE ARG A 100 7.456 19.090 -20.906 1.00 70.21 H new ATOM 0 HH11 ARG A 100 7.412 21.160 -23.817 1.00 11.10 H new ATOM 0 HH12 ARG A 100 5.667 21.004 -24.044 1.00 11.10 H new ATOM 0 HH21 ARG A 100 5.238 18.899 -21.207 1.00 3.42 H new ATOM 0 HH22 ARG A 100 4.433 19.713 -22.552 1.00 3.42 H new ATOM 1585 N LEU A 101 10.786 18.993 -19.305 1.00 22.13 N ATOM 1586 CA LEU A 101 11.522 17.868 -19.856 1.00 75.44 C ATOM 1587 C LEU A 101 10.551 16.942 -20.594 1.00 4.25 C ATOM 1588 O LEU A 101 9.388 16.826 -20.212 1.00 31.31 O ATOM 1589 CB LEU A 101 12.329 17.167 -18.762 1.00 33.51 C ATOM 1590 CG LEU A 101 12.730 18.032 -17.566 1.00 45.20 C ATOM 1591 CD1 LEU A 101 13.488 17.208 -16.523 1.00 14.54 C ATOM 1592 CD2 LEU A 101 13.529 19.257 -18.019 1.00 35.50 C ATOM 0 H LEU A 101 10.174 18.760 -18.522 1.00 22.13 H new ATOM 0 HA LEU A 101 12.254 18.212 -20.587 1.00 75.44 H new ATOM 0 HB2 LEU A 101 11.748 16.321 -18.395 1.00 33.51 H new ATOM 0 HB3 LEU A 101 13.235 16.760 -19.211 1.00 33.51 H new ATOM 0 HG LEU A 101 11.821 18.398 -17.089 1.00 45.20 H new ATOM 0 HD11 LEU A 101 13.761 17.847 -15.683 1.00 14.54 H new ATOM 0 HD12 LEU A 101 12.853 16.396 -16.169 1.00 14.54 H new ATOM 0 HD13 LEU A 101 14.390 16.794 -16.972 1.00 14.54 H new ATOM 0 HD21 LEU A 101 13.802 19.855 -17.150 1.00 35.50 H new ATOM 0 HD22 LEU A 101 14.433 18.932 -18.534 1.00 35.50 H new ATOM 0 HD23 LEU A 101 12.922 19.857 -18.696 1.00 35.50 H new ATOM 1604 N GLU A 102 11.066 16.308 -21.636 1.00 62.45 N ATOM 1605 CA GLU A 102 10.260 15.396 -22.431 1.00 10.15 C ATOM 1606 C GLU A 102 10.111 14.054 -21.710 1.00 52.53 C ATOM 1607 O GLU A 102 11.000 13.642 -20.968 1.00 4.22 O ATOM 1608 CB GLU A 102 10.860 15.206 -23.825 1.00 1.00 C ATOM 1609 CG GLU A 102 11.286 16.547 -24.426 1.00 24.11 C ATOM 1610 CD GLU A 102 10.462 16.876 -25.672 1.00 63.14 C ATOM 1611 OE1 GLU A 102 10.929 17.624 -26.545 1.00 31.35 O ATOM 1612 OE2 GLU A 102 9.298 16.323 -25.718 1.00 14.15 O ATOM 0 H GLU A 102 12.032 16.407 -21.949 1.00 62.45 H new ATOM 0 HA GLU A 102 9.269 15.832 -22.555 1.00 10.15 H new ATOM 0 HB2 GLU A 102 11.721 14.540 -23.767 1.00 1.00 H new ATOM 0 HB3 GLU A 102 10.130 14.727 -24.477 1.00 1.00 H new ATOM 0 HG2 GLU A 102 11.163 17.337 -23.685 1.00 24.11 H new ATOM 0 HG3 GLU A 102 12.345 16.514 -24.684 1.00 24.11 H new ATOM 1620 N PRO A 103 8.949 13.393 -21.962 1.00 2.35 N ATOM 1621 CA PRO A 103 8.672 12.107 -21.346 1.00 20.24 C ATOM 1622 C PRO A 103 9.489 10.995 -22.007 1.00 75.22 C ATOM 1623 O PRO A 103 8.926 10.043 -22.546 1.00 54.23 O ATOM 1624 CB PRO A 103 7.172 11.913 -21.497 1.00 41.11 C ATOM 1625 CG PRO A 103 6.737 12.870 -22.595 1.00 40.10 C ATOM 1626 CD PRO A 103 7.873 13.851 -22.835 1.00 51.13 C ATOM 0 HA PRO A 103 8.960 12.073 -20.295 1.00 20.24 H new ATOM 0 HB2 PRO A 103 6.936 10.882 -21.761 1.00 41.11 H new ATOM 0 HB3 PRO A 103 6.654 12.129 -20.563 1.00 41.11 H new ATOM 0 HG2 PRO A 103 6.506 12.323 -23.509 1.00 40.10 H new ATOM 0 HG3 PRO A 103 5.830 13.400 -22.303 1.00 40.10 H new ATOM 0 HD2 PRO A 103 8.183 13.850 -23.880 1.00 51.13 H new ATOM 0 HD3 PRO A 103 7.573 14.871 -22.593 1.00 51.13 H new ATOM 1634 N HIS A 104 10.803 11.152 -21.944 1.00 74.23 N ATOM 1635 CA HIS A 104 11.702 10.173 -22.531 1.00 22.25 C ATOM 1636 C HIS A 104 13.104 10.773 -22.654 1.00 1.22 C ATOM 1637 O HIS A 104 14.091 10.136 -22.288 1.00 14.34 O ATOM 1638 CB HIS A 104 11.156 9.664 -23.866 1.00 34.22 C ATOM 1639 CG HIS A 104 10.441 8.337 -23.771 1.00 14.10 C ATOM 1640 ND1 HIS A 104 9.178 7.977 -24.140 1.00 54.42 N flip ATOM 1641 CD2 HIS A 104 11.033 7.202 -23.244 1.00 32.22 C flip ATOM 1642 CE1 HIS A 104 9.008 6.692 -23.855 1.00 31.35 C flip ATOM 1643 NE2 HIS A 104 10.157 6.210 -23.300 1.00 62.43 N flip ATOM 0 H HIS A 104 11.267 11.942 -21.496 1.00 74.23 H new ATOM 0 HA HIS A 104 11.772 9.302 -21.879 1.00 22.25 H new ATOM 0 HB2 HIS A 104 10.470 10.407 -24.273 1.00 34.22 H new ATOM 0 HB3 HIS A 104 11.981 9.571 -24.573 1.00 34.22 H new ATOM 0 HD2 HIS A 104 12.038 7.137 -22.854 1.00 32.22 H new ATOM 0 HE1 HIS A 104 8.108 6.122 -24.033 1.00 31.35 H new ATOM 0 HE2 HIS A 104 10.314 5.253 -22.983 1.00 62.43 H new ATOM 1651 N LYS A 105 13.147 11.992 -23.171 1.00 4.21 N ATOM 1652 CA LYS A 105 14.412 12.686 -23.347 1.00 70.11 C ATOM 1653 C LYS A 105 14.931 13.146 -21.983 1.00 70.52 C ATOM 1654 O LYS A 105 14.208 13.790 -21.225 1.00 43.41 O ATOM 1655 CB LYS A 105 14.264 13.820 -24.363 1.00 13.41 C ATOM 1656 CG LYS A 105 13.410 13.381 -25.555 1.00 2.45 C ATOM 1657 CD LYS A 105 13.697 14.248 -26.783 1.00 33.42 C ATOM 1658 CE LYS A 105 12.428 14.462 -27.610 1.00 53.51 C ATOM 1659 NZ LYS A 105 12.589 15.623 -28.514 1.00 52.21 N ATOM 0 H LYS A 105 12.327 12.517 -23.474 1.00 4.21 H new ATOM 0 HA LYS A 105 15.161 12.012 -23.763 1.00 70.11 H new ATOM 0 HB2 LYS A 105 13.807 14.686 -23.883 1.00 13.41 H new ATOM 0 HB3 LYS A 105 15.249 14.131 -24.712 1.00 13.41 H new ATOM 0 HG2 LYS A 105 13.614 12.336 -25.788 1.00 2.45 H new ATOM 0 HG3 LYS A 105 12.354 13.450 -25.295 1.00 2.45 H new ATOM 0 HD2 LYS A 105 14.097 15.212 -26.467 1.00 33.42 H new ATOM 0 HD3 LYS A 105 14.461 13.772 -27.398 1.00 33.42 H new ATOM 0 HE2 LYS A 105 12.211 13.567 -28.193 1.00 53.51 H new ATOM 0 HE3 LYS A 105 11.578 14.624 -26.947 1.00 53.51 H new ATOM 0 HZ1 LYS A 105 12.174 15.401 -29.441 1.00 52.21 H new ATOM 0 HZ2 LYS A 105 12.106 16.449 -28.107 1.00 52.21 H new ATOM 0 HZ3 LYS A 105 13.600 15.836 -28.629 1.00 52.21 H new ATOM 1672 N PRO A 106 16.213 12.786 -21.705 1.00 51.43 N ATOM 1673 CA PRO A 106 16.837 13.155 -20.446 1.00 61.10 C ATOM 1674 C PRO A 106 17.213 14.638 -20.434 1.00 24.12 C ATOM 1675 O PRO A 106 17.368 15.251 -21.489 1.00 1.44 O ATOM 1676 CB PRO A 106 18.041 12.236 -20.320 1.00 31.53 C ATOM 1677 CG PRO A 106 18.313 11.711 -21.720 1.00 62.40 C ATOM 1678 CD PRO A 106 17.099 12.023 -22.579 1.00 72.31 C ATOM 0 HA PRO A 106 16.169 13.033 -19.594 1.00 61.10 H new ATOM 0 HB2 PRO A 106 18.905 12.775 -19.930 1.00 31.53 H new ATOM 0 HB3 PRO A 106 17.837 11.418 -19.629 1.00 31.53 H new ATOM 0 HG2 PRO A 106 19.205 12.178 -22.136 1.00 62.40 H new ATOM 0 HG3 PRO A 106 18.498 10.637 -21.696 1.00 62.40 H new ATOM 0 HD2 PRO A 106 17.376 12.599 -23.462 1.00 72.31 H new ATOM 0 HD3 PRO A 106 16.618 11.110 -22.931 1.00 72.31 H new ATOM 1686 N GLN A 107 17.350 15.171 -19.229 1.00 31.04 N ATOM 1687 CA GLN A 107 17.705 16.570 -19.065 1.00 43.41 C ATOM 1688 C GLN A 107 18.735 16.729 -17.945 1.00 0.13 C ATOM 1689 O GLN A 107 18.431 16.484 -16.778 1.00 63.33 O ATOM 1690 CB GLN A 107 16.464 17.423 -18.794 1.00 43.21 C ATOM 1691 CG GLN A 107 16.840 18.730 -18.093 1.00 14.23 C ATOM 1692 CD GLN A 107 17.919 19.482 -18.875 1.00 33.21 C ATOM 1693 OE1 GLN A 107 18.868 20.015 -18.111 1.00 51.03 O flip ATOM 1694 NE2 GLN A 107 17.891 19.572 -20.091 1.00 62.31 N flip ATOM 0 H GLN A 107 17.221 14.659 -18.356 1.00 31.04 H new ATOM 0 HA GLN A 107 18.151 16.922 -19.995 1.00 43.41 H new ATOM 0 HB2 GLN A 107 15.957 17.643 -19.734 1.00 43.21 H new ATOM 0 HB3 GLN A 107 15.762 16.864 -18.176 1.00 43.21 H new ATOM 0 HG2 GLN A 107 15.956 19.359 -17.990 1.00 14.23 H new ATOM 0 HG3 GLN A 107 17.198 18.517 -17.086 1.00 14.23 H new ATOM 0 HE21 GLN A 107 17.132 19.138 -20.617 1.00 62.31 H new ATOM 0 HE22 GLN A 107 18.626 20.081 -20.582 1.00 62.31 H new ATOM 1703 N GLN A 108 19.932 17.139 -18.338 1.00 60.32 N ATOM 1704 CA GLN A 108 21.008 17.333 -17.382 1.00 3.15 C ATOM 1705 C GLN A 108 20.484 18.039 -16.129 1.00 64.12 C ATOM 1706 O GLN A 108 19.385 18.591 -16.138 1.00 3.14 O ATOM 1707 CB GLN A 108 22.164 18.115 -18.008 1.00 64.13 C ATOM 1708 CG GLN A 108 22.303 19.497 -17.367 1.00 23.13 C ATOM 1709 CD GLN A 108 23.415 20.304 -18.039 1.00 44.43 C ATOM 1710 OE1 GLN A 108 23.515 20.381 -19.253 1.00 0.42 O ATOM 1711 NE2 GLN A 108 24.243 20.900 -17.186 1.00 3.32 N ATOM 0 H GLN A 108 20.180 17.342 -19.306 1.00 60.32 H new ATOM 0 HA GLN A 108 21.390 16.354 -17.092 1.00 3.15 H new ATOM 0 HB2 GLN A 108 23.093 17.558 -17.885 1.00 64.13 H new ATOM 0 HB3 GLN A 108 21.997 18.223 -19.080 1.00 64.13 H new ATOM 0 HG2 GLN A 108 21.359 20.036 -17.447 1.00 23.13 H new ATOM 0 HG3 GLN A 108 22.519 19.389 -16.304 1.00 23.13 H new ATOM 0 HE21 GLN A 108 24.103 20.795 -16.181 1.00 3.32 H new ATOM 0 HE22 GLN A 108 25.018 21.462 -17.537 1.00 3.32 H new ATOM 1720 N ILE A 109 21.296 17.998 -15.083 1.00 33.14 N ATOM 1721 CA ILE A 109 20.928 18.627 -13.825 1.00 73.34 C ATOM 1722 C ILE A 109 22.169 19.263 -13.196 1.00 54.31 C ATOM 1723 O ILE A 109 23.067 18.559 -12.738 1.00 0.54 O ATOM 1724 CB ILE A 109 20.221 17.624 -12.912 1.00 34.25 C ATOM 1725 CG1 ILE A 109 19.118 16.878 -13.666 1.00 21.43 C ATOM 1726 CG2 ILE A 109 19.690 18.310 -11.651 1.00 55.14 C ATOM 1727 CD1 ILE A 109 17.956 17.813 -14.005 1.00 11.12 C ATOM 0 H ILE A 109 22.207 17.539 -15.080 1.00 33.14 H new ATOM 0 HA ILE A 109 20.210 19.429 -13.995 1.00 73.34 H new ATOM 0 HB ILE A 109 20.951 16.881 -12.592 1.00 34.25 H new ATOM 0 HG12 ILE A 109 19.524 16.450 -14.583 1.00 21.43 H new ATOM 0 HG13 ILE A 109 18.756 16.047 -13.060 1.00 21.43 H new ATOM 0 HG21 ILE A 109 19.192 17.575 -11.019 1.00 55.14 H new ATOM 0 HG22 ILE A 109 20.520 18.757 -11.103 1.00 55.14 H new ATOM 0 HG23 ILE A 109 18.980 19.088 -11.932 1.00 55.14 H new ATOM 0 HD11 ILE A 109 17.186 17.257 -14.541 1.00 11.12 H new ATOM 0 HD12 ILE A 109 17.536 18.220 -13.085 1.00 11.12 H new ATOM 0 HD13 ILE A 109 18.316 18.629 -14.631 1.00 11.12 H new ATOM 1739 N PRO A 110 22.179 20.623 -13.194 1.00 54.34 N ATOM 1740 CA PRO A 110 23.294 21.363 -12.629 1.00 63.31 C ATOM 1741 C PRO A 110 23.258 21.327 -11.100 1.00 34.41 C ATOM 1742 O PRO A 110 22.256 20.927 -10.509 1.00 14.22 O ATOM 1743 CB PRO A 110 23.161 22.768 -13.193 1.00 64.24 C ATOM 1744 CG PRO A 110 21.726 22.888 -13.678 1.00 52.13 C ATOM 1745 CD PRO A 110 21.132 21.490 -13.729 1.00 21.24 C ATOM 0 HA PRO A 110 24.260 20.932 -12.892 1.00 63.31 H new ATOM 0 HB2 PRO A 110 23.380 23.517 -12.432 1.00 64.24 H new ATOM 0 HB3 PRO A 110 23.864 22.929 -14.010 1.00 64.24 H new ATOM 0 HG2 PRO A 110 21.148 23.524 -13.007 1.00 52.13 H new ATOM 0 HG3 PRO A 110 21.694 23.352 -14.664 1.00 52.13 H new ATOM 0 HD2 PRO A 110 20.221 21.425 -13.134 1.00 21.24 H new ATOM 0 HD3 PRO A 110 20.867 21.209 -14.748 1.00 21.24 H new ATOM 1753 N ILE A 111 24.362 21.749 -10.503 1.00 44.32 N ATOM 1754 CA ILE A 111 24.469 21.770 -9.054 1.00 41.52 C ATOM 1755 C ILE A 111 23.587 22.891 -8.499 1.00 24.45 C ATOM 1756 O ILE A 111 23.356 23.894 -9.171 1.00 13.44 O ATOM 1757 CB ILE A 111 25.935 21.872 -8.626 1.00 74.23 C ATOM 1758 CG1 ILE A 111 26.793 20.842 -9.363 1.00 63.20 C ATOM 1759 CG2 ILE A 111 26.072 21.751 -7.107 1.00 52.23 C ATOM 1760 CD1 ILE A 111 26.353 19.417 -9.023 1.00 31.34 C ATOM 0 H ILE A 111 25.191 22.079 -10.996 1.00 44.32 H new ATOM 0 HA ILE A 111 24.102 20.835 -8.631 1.00 41.52 H new ATOM 0 HB ILE A 111 26.305 22.859 -8.905 1.00 74.23 H new ATOM 0 HG12 ILE A 111 26.717 21.003 -10.438 1.00 63.20 H new ATOM 0 HG13 ILE A 111 27.841 20.977 -9.094 1.00 63.20 H new ATOM 0 HG21 ILE A 111 27.123 21.827 -6.829 1.00 52.23 H new ATOM 0 HG22 ILE A 111 25.511 22.552 -6.626 1.00 52.23 H new ATOM 0 HG23 ILE A 111 25.679 20.788 -6.782 1.00 52.23 H new ATOM 0 HD11 ILE A 111 26.979 18.705 -9.560 1.00 31.34 H new ATOM 0 HD12 ILE A 111 26.453 19.251 -7.950 1.00 31.34 H new ATOM 0 HD13 ILE A 111 25.312 19.278 -9.316 1.00 31.34 H new ATOM 1772 N ASP A 112 23.119 22.681 -7.277 1.00 25.02 N ATOM 1773 CA ASP A 112 22.268 23.661 -6.623 1.00 63.41 C ATOM 1774 C ASP A 112 21.082 23.987 -7.532 1.00 71.45 C ATOM 1775 O ASP A 112 20.440 25.024 -7.374 1.00 3.00 O ATOM 1776 CB ASP A 112 23.030 24.960 -6.355 1.00 54.21 C ATOM 1777 CG ASP A 112 22.264 26.001 -5.536 1.00 30.04 C ATOM 1778 OD1 ASP A 112 22.231 25.941 -4.298 1.00 5.15 O ATOM 1779 OD2 ASP A 112 21.675 26.916 -6.229 1.00 63.53 O ATOM 0 H ASP A 112 23.313 21.847 -6.723 1.00 25.02 H new ATOM 0 HA ASP A 112 21.932 23.238 -5.676 1.00 63.41 H new ATOM 0 HB2 ASP A 112 23.956 24.719 -5.834 1.00 54.21 H new ATOM 0 HB3 ASP A 112 23.308 25.404 -7.311 1.00 54.21 H new ATOM 1785 N SER A 113 20.826 23.081 -8.465 1.00 40.23 N ATOM 1786 CA SER A 113 19.728 23.259 -9.400 1.00 50.41 C ATOM 1787 C SER A 113 18.394 23.010 -8.694 1.00 72.40 C ATOM 1788 O SER A 113 18.356 22.823 -7.479 1.00 11.02 O ATOM 1789 CB SER A 113 19.874 22.328 -10.605 1.00 34.42 C ATOM 1790 OG SER A 113 18.698 22.308 -11.410 1.00 34.24 O ATOM 0 H SER A 113 21.360 22.222 -8.593 1.00 40.23 H new ATOM 0 HA SER A 113 19.752 24.286 -9.764 1.00 50.41 H new ATOM 0 HB2 SER A 113 20.722 22.649 -11.210 1.00 34.42 H new ATOM 0 HB3 SER A 113 20.093 21.318 -10.258 1.00 34.42 H new ATOM 0 HG SER A 113 18.824 22.891 -12.188 1.00 34.24 H new ATOM 1796 N THR A 114 17.332 23.014 -9.486 1.00 52.01 N ATOM 1797 CA THR A 114 15.999 22.790 -8.952 1.00 40.22 C ATOM 1798 C THR A 114 15.106 22.133 -10.006 1.00 53.22 C ATOM 1799 O THR A 114 15.029 22.603 -11.140 1.00 51.23 O ATOM 1800 CB THR A 114 15.460 24.131 -8.449 1.00 20.30 C ATOM 1801 OG1 THR A 114 16.333 24.475 -7.377 1.00 12.25 O ATOM 1802 CG2 THR A 114 14.088 23.998 -7.785 1.00 0.11 C ATOM 0 H THR A 114 17.367 23.169 -10.494 1.00 52.01 H new ATOM 0 HA THR A 114 16.021 22.096 -8.112 1.00 40.22 H new ATOM 0 HB THR A 114 15.394 24.831 -9.281 1.00 20.30 H new ATOM 0 HG1 THR A 114 16.897 23.705 -7.154 1.00 12.25 H new ATOM 0 HG21 THR A 114 13.751 24.978 -7.446 1.00 0.11 H new ATOM 0 HG22 THR A 114 13.373 23.597 -8.504 1.00 0.11 H new ATOM 0 HG23 THR A 114 14.161 23.324 -6.931 1.00 0.11 H new ATOM 1810 N VAL A 115 14.453 21.056 -9.594 1.00 52.43 N ATOM 1811 CA VAL A 115 13.568 20.330 -10.489 1.00 33.01 C ATOM 1812 C VAL A 115 12.208 20.143 -9.813 1.00 52.12 C ATOM 1813 O VAL A 115 12.136 19.931 -8.604 1.00 34.22 O ATOM 1814 CB VAL A 115 14.215 19.008 -10.906 1.00 20.35 C ATOM 1815 CG1 VAL A 115 15.531 18.782 -10.159 1.00 0.25 C ATOM 1816 CG2 VAL A 115 13.255 17.836 -10.691 1.00 71.22 C ATOM 0 H VAL A 115 14.519 20.669 -8.653 1.00 52.43 H new ATOM 0 HA VAL A 115 13.401 20.898 -11.404 1.00 33.01 H new ATOM 0 HB VAL A 115 14.440 19.066 -11.971 1.00 20.35 H new ATOM 0 HG11 VAL A 115 15.970 17.835 -10.474 1.00 0.25 H new ATOM 0 HG12 VAL A 115 16.221 19.595 -10.384 1.00 0.25 H new ATOM 0 HG13 VAL A 115 15.340 18.754 -9.086 1.00 0.25 H new ATOM 0 HG21 VAL A 115 13.740 16.908 -10.995 1.00 71.22 H new ATOM 0 HG22 VAL A 115 12.985 17.776 -9.637 1.00 71.22 H new ATOM 0 HG23 VAL A 115 12.356 17.988 -11.288 1.00 71.22 H new ATOM 1826 N SER A 116 11.163 20.229 -10.624 1.00 23.02 N ATOM 1827 CA SER A 116 9.810 20.072 -10.119 1.00 73.04 C ATOM 1828 C SER A 116 9.033 19.092 -11.001 1.00 50.23 C ATOM 1829 O SER A 116 8.664 19.423 -12.127 1.00 64.12 O ATOM 1830 CB SER A 116 9.086 21.418 -10.057 1.00 12.43 C ATOM 1831 OG SER A 116 8.648 21.849 -11.342 1.00 53.35 O ATOM 0 H SER A 116 11.227 20.405 -11.627 1.00 23.02 H new ATOM 0 HA SER A 116 9.867 19.673 -9.106 1.00 73.04 H new ATOM 0 HB2 SER A 116 8.228 21.337 -9.390 1.00 12.43 H new ATOM 0 HB3 SER A 116 9.752 22.168 -9.631 1.00 12.43 H new ATOM 0 HG SER A 116 8.179 21.115 -11.791 1.00 53.35 H new ATOM 1837 N PHE A 117 8.807 17.906 -10.456 1.00 3.01 N ATOM 1838 CA PHE A 117 8.081 16.876 -11.179 1.00 21.10 C ATOM 1839 C PHE A 117 6.628 17.292 -11.415 1.00 12.42 C ATOM 1840 O PHE A 117 6.226 18.393 -11.042 1.00 14.32 O ATOM 1841 CB PHE A 117 8.104 15.618 -10.308 1.00 52.04 C ATOM 1842 CG PHE A 117 9.411 14.828 -10.391 1.00 24.31 C ATOM 1843 CD1 PHE A 117 10.604 15.478 -10.330 1.00 1.34 C ATOM 1844 CD2 PHE A 117 9.381 13.475 -10.526 1.00 32.24 C ATOM 1845 CE1 PHE A 117 11.818 14.745 -10.406 1.00 74.23 C ATOM 1846 CE2 PHE A 117 10.594 12.741 -10.602 1.00 44.32 C ATOM 1847 CZ PHE A 117 11.787 13.392 -10.541 1.00 21.10 C ATOM 0 H PHE A 117 9.114 17.635 -9.522 1.00 3.01 H new ATOM 0 HA PHE A 117 8.544 16.707 -12.151 1.00 21.10 H new ATOM 0 HB2 PHE A 117 7.929 15.903 -9.271 1.00 52.04 H new ATOM 0 HB3 PHE A 117 7.280 14.969 -10.603 1.00 52.04 H new ATOM 0 HD1 PHE A 117 10.628 16.552 -10.224 1.00 1.34 H new ATOM 0 HD2 PHE A 117 8.434 12.959 -10.575 1.00 32.24 H new ATOM 0 HE1 PHE A 117 12.765 15.262 -10.357 1.00 74.23 H new ATOM 0 HE2 PHE A 117 10.570 11.667 -10.708 1.00 44.32 H new ATOM 0 HZ PHE A 117 12.710 12.834 -10.600 1.00 21.10 H new ATOM 1922 N ALA A 123 10.603 20.748 -5.152 1.00 12.13 N ATOM 1923 CA ALA A 123 11.618 21.494 -5.876 1.00 74.04 C ATOM 1924 C ALA A 123 12.974 20.810 -5.694 1.00 42.42 C ATOM 1925 O ALA A 123 13.935 21.438 -5.251 1.00 32.33 O ATOM 1926 CB ALA A 123 11.627 22.946 -5.393 1.00 73.34 C ATOM 0 HA ALA A 123 11.396 21.507 -6.943 1.00 74.04 H new ATOM 0 HB1 ALA A 123 12.389 23.505 -5.936 1.00 73.34 H new ATOM 0 HB2 ALA A 123 10.650 23.395 -5.572 1.00 73.34 H new ATOM 0 HB3 ALA A 123 11.849 22.973 -4.326 1.00 73.34 H new ATOM 1932 N TYR A 124 13.009 19.533 -6.046 1.00 4.53 N ATOM 1933 CA TYR A 124 14.232 18.758 -5.927 1.00 24.14 C ATOM 1934 C TYR A 124 15.456 19.607 -6.275 1.00 44.13 C ATOM 1935 O TYR A 124 15.618 20.029 -7.419 1.00 64.55 O ATOM 1936 CB TYR A 124 14.110 17.620 -6.941 1.00 64.55 C ATOM 1937 CG TYR A 124 13.088 16.549 -6.556 1.00 32.13 C ATOM 1938 CD1 TYR A 124 12.260 16.745 -5.469 1.00 52.12 C ATOM 1939 CD2 TYR A 124 12.993 15.387 -7.294 1.00 63.23 C ATOM 1940 CE1 TYR A 124 11.297 15.737 -5.106 1.00 44.41 C ATOM 1941 CE2 TYR A 124 12.031 14.379 -6.931 1.00 51.12 C ATOM 1942 CZ TYR A 124 11.230 14.604 -5.855 1.00 5.10 C ATOM 1943 OH TYR A 124 10.321 13.652 -5.512 1.00 45.40 O ATOM 0 H TYR A 124 12.210 19.016 -6.414 1.00 4.53 H new ATOM 0 HA TYR A 124 14.359 18.397 -4.907 1.00 24.14 H new ATOM 0 HB2 TYR A 124 13.835 18.038 -7.909 1.00 64.55 H new ATOM 0 HB3 TYR A 124 15.086 17.149 -7.062 1.00 64.55 H new ATOM 0 HD1 TYR A 124 12.334 17.654 -4.891 1.00 52.12 H new ATOM 0 HD2 TYR A 124 13.641 15.233 -8.145 1.00 63.23 H new ATOM 0 HE1 TYR A 124 10.643 15.878 -4.258 1.00 44.41 H new ATOM 0 HE2 TYR A 124 11.947 13.465 -7.500 1.00 51.12 H new ATOM 0 HH TYR A 124 9.777 13.974 -4.763 1.00 45.40 H new ATOM 1953 N THR A 125 16.287 19.833 -5.268 1.00 33.12 N ATOM 1954 CA THR A 125 17.491 20.624 -5.454 1.00 1.24 C ATOM 1955 C THR A 125 18.730 19.728 -5.406 1.00 44.32 C ATOM 1956 O THR A 125 19.119 19.257 -4.339 1.00 25.22 O ATOM 1957 CB THR A 125 17.499 21.729 -4.395 1.00 60.11 C ATOM 1958 OG1 THR A 125 16.678 22.751 -4.953 1.00 73.34 O ATOM 1959 CG2 THR A 125 18.871 22.391 -4.250 1.00 53.10 C ATOM 0 H THR A 125 16.150 19.482 -4.320 1.00 33.12 H new ATOM 0 HA THR A 125 17.507 21.095 -6.437 1.00 1.24 H new ATOM 0 HB THR A 125 17.193 21.313 -3.435 1.00 60.11 H new ATOM 0 HG1 THR A 125 15.770 22.406 -5.083 1.00 73.34 H new ATOM 0 HG21 THR A 125 18.822 23.167 -3.486 1.00 53.10 H new ATOM 0 HG22 THR A 125 19.607 21.642 -3.959 1.00 53.10 H new ATOM 0 HG23 THR A 125 19.163 22.836 -5.201 1.00 53.10 H new ATOM 1967 N LEU A 126 19.316 19.520 -6.576 1.00 40.43 N ATOM 1968 CA LEU A 126 20.503 18.689 -6.682 1.00 3.42 C ATOM 1969 C LEU A 126 21.721 19.485 -6.209 1.00 4.40 C ATOM 1970 O LEU A 126 22.169 20.405 -6.892 1.00 4.34 O ATOM 1971 CB LEU A 126 20.644 18.134 -8.101 1.00 4.24 C ATOM 1972 CG LEU A 126 21.947 17.392 -8.404 1.00 24.22 C ATOM 1973 CD1 LEU A 126 23.039 18.363 -8.858 1.00 11.14 C ATOM 1974 CD2 LEU A 126 22.391 16.551 -7.205 1.00 72.53 C ATOM 0 H LEU A 126 18.991 19.913 -7.459 1.00 40.43 H new ATOM 0 HA LEU A 126 20.418 17.819 -6.031 1.00 3.42 H new ATOM 0 HB2 LEU A 126 19.811 17.457 -8.289 1.00 4.24 H new ATOM 0 HB3 LEU A 126 20.548 18.961 -8.805 1.00 4.24 H new ATOM 0 HG LEU A 126 21.764 16.705 -9.230 1.00 24.22 H new ATOM 0 HD11 LEU A 126 23.954 17.809 -9.067 1.00 11.14 H new ATOM 0 HD12 LEU A 126 22.714 18.880 -9.761 1.00 11.14 H new ATOM 0 HD13 LEU A 126 23.228 19.092 -8.070 1.00 11.14 H new ATOM 0 HD21 LEU A 126 23.320 16.034 -7.447 1.00 72.53 H new ATOM 0 HD22 LEU A 126 22.551 17.200 -6.344 1.00 72.53 H new ATOM 0 HD23 LEU A 126 21.619 15.819 -6.968 1.00 72.53 H new ATOM 1986 N ARG A 127 22.223 19.102 -5.044 1.00 13.31 N ATOM 1987 CA ARG A 127 23.380 19.769 -4.472 1.00 22.22 C ATOM 1988 C ARG A 127 24.659 19.004 -4.820 1.00 11.13 C ATOM 1989 O ARG A 127 24.623 18.044 -5.588 1.00 53.43 O ATOM 1990 CB ARG A 127 23.257 19.878 -2.951 1.00 21.54 C ATOM 1991 CG ARG A 127 23.504 21.313 -2.482 1.00 22.22 C ATOM 1992 CD ARG A 127 22.343 22.227 -2.878 1.00 70.24 C ATOM 1993 NE ARG A 127 21.186 21.991 -1.986 1.00 72.14 N ATOM 1994 CZ ARG A 127 21.042 22.554 -0.768 1.00 41.31 C ATOM 1995 NH1 ARG A 127 21.984 23.393 -0.286 1.00 32.35 N ATOM 1996 NH2 ARG A 127 19.967 22.273 -0.056 1.00 21.14 N ATOM 0 H ARG A 127 21.849 18.338 -4.481 1.00 13.31 H new ATOM 0 HA ARG A 127 23.426 20.773 -4.894 1.00 22.22 H new ATOM 0 HB2 ARG A 127 22.264 19.556 -2.639 1.00 21.54 H new ATOM 0 HB3 ARG A 127 23.973 19.208 -2.476 1.00 21.54 H new ATOM 0 HG2 ARG A 127 23.631 21.329 -1.400 1.00 22.22 H new ATOM 0 HG3 ARG A 127 24.431 21.687 -2.917 1.00 22.22 H new ATOM 0 HD2 ARG A 127 22.653 23.270 -2.816 1.00 70.24 H new ATOM 0 HD3 ARG A 127 22.059 22.040 -3.913 1.00 70.24 H new ATOM 0 HE ARG A 127 20.451 21.363 -2.312 1.00 72.14 H new ATOM 0 HH11 ARG A 127 22.811 23.605 -0.843 1.00 32.35 H new ATOM 0 HH12 ARG A 127 21.868 23.815 0.636 1.00 32.35 H new ATOM 0 HH21 ARG A 127 19.260 21.639 -0.428 1.00 21.14 H new ATOM 0 HH22 ARG A 127 19.843 22.690 0.867 1.00 21.14 H new ATOM 2009 N GLU A 128 25.759 19.458 -4.237 1.00 71.02 N ATOM 2010 CA GLU A 128 27.047 18.828 -4.476 1.00 55.41 C ATOM 2011 C GLU A 128 27.990 19.086 -3.299 1.00 73.22 C ATOM 2012 O GLU A 128 28.495 20.195 -3.135 1.00 52.30 O ATOM 2013 CB GLU A 128 27.661 19.318 -5.789 1.00 3.44 C ATOM 2014 CG GLU A 128 29.064 18.741 -5.986 1.00 63.23 C ATOM 2015 CD GLU A 128 29.741 19.353 -7.214 1.00 44.30 C ATOM 2016 OE1 GLU A 128 29.633 20.568 -7.441 1.00 34.52 O ATOM 2017 OE2 GLU A 128 30.401 18.520 -7.946 1.00 13.14 O ATOM 0 H GLU A 128 25.785 20.254 -3.600 1.00 71.02 H new ATOM 0 HA GLU A 128 26.894 17.752 -4.564 1.00 55.41 H new ATOM 0 HB2 GLU A 128 27.024 19.027 -6.624 1.00 3.44 H new ATOM 0 HB3 GLU A 128 27.708 20.407 -5.789 1.00 3.44 H new ATOM 0 HG2 GLU A 128 29.668 18.934 -5.099 1.00 63.23 H new ATOM 0 HG3 GLU A 128 29.003 17.659 -6.101 1.00 63.23 H new ATOM 2025 N LYS A 129 28.199 18.042 -2.510 1.00 74.04 N ATOM 2026 CA LYS A 129 29.072 18.141 -1.353 1.00 42.15 C ATOM 2027 C LYS A 129 30.252 19.056 -1.688 1.00 22.22 C ATOM 2028 O LYS A 129 31.226 18.620 -2.299 1.00 63.03 O ATOM 2029 CB LYS A 129 29.489 16.749 -0.876 1.00 64.43 C ATOM 2030 CG LYS A 129 28.276 15.944 -0.407 1.00 30.53 C ATOM 2031 CD LYS A 129 28.695 14.556 0.084 1.00 51.14 C ATOM 2032 CE LYS A 129 29.873 14.651 1.055 1.00 62.41 C ATOM 2033 NZ LYS A 129 31.155 14.509 0.330 1.00 65.25 N ATOM 0 H LYS A 129 27.779 17.123 -2.650 1.00 74.04 H new ATOM 0 HA LYS A 129 28.544 18.595 -0.514 1.00 42.15 H new ATOM 0 HB2 LYS A 129 29.991 16.219 -1.685 1.00 64.43 H new ATOM 0 HB3 LYS A 129 30.207 16.840 -0.061 1.00 64.43 H new ATOM 0 HG2 LYS A 129 27.768 16.479 0.395 1.00 30.53 H new ATOM 0 HG3 LYS A 129 27.563 15.844 -1.225 1.00 30.53 H new ATOM 0 HD2 LYS A 129 27.852 14.070 0.576 1.00 51.14 H new ATOM 0 HD3 LYS A 129 28.970 13.933 -0.767 1.00 51.14 H new ATOM 0 HE2 LYS A 129 29.847 15.608 1.575 1.00 62.41 H new ATOM 0 HE3 LYS A 129 29.790 13.873 1.814 1.00 62.41 H new ATOM 0 HZ1 LYS A 129 31.945 14.593 1.002 1.00 65.25 H new ATOM 0 HZ2 LYS A 129 31.191 13.578 -0.132 1.00 65.25 H new ATOM 0 HZ3 LYS A 129 31.232 15.256 -0.389 1.00 65.25 H new ATOM 2046 N PRO A 130 30.122 20.341 -1.261 1.00 25.52 N ATOM 2047 CA PRO A 130 31.166 21.320 -1.508 1.00 43.54 C ATOM 2048 C PRO A 130 32.361 21.096 -0.579 1.00 70.23 C ATOM 2049 O PRO A 130 32.507 20.021 0.001 1.00 64.13 O ATOM 2050 CB PRO A 130 30.497 22.669 -1.300 1.00 42.20 C ATOM 2051 CG PRO A 130 29.238 22.390 -0.495 1.00 4.10 C ATOM 2052 CD PRO A 130 28.983 20.892 -0.534 1.00 10.33 C ATOM 0 HA PRO A 130 31.582 21.246 -2.513 1.00 43.54 H new ATOM 0 HB2 PRO A 130 31.157 23.354 -0.768 1.00 42.20 H new ATOM 0 HB3 PRO A 130 30.255 23.136 -2.255 1.00 42.20 H new ATOM 0 HG2 PRO A 130 29.359 22.730 0.533 1.00 4.10 H new ATOM 0 HG3 PRO A 130 28.390 22.933 -0.912 1.00 4.10 H new ATOM 0 HD2 PRO A 130 28.916 20.476 0.471 1.00 10.33 H new ATOM 0 HD3 PRO A 130 28.044 20.663 -1.037 1.00 10.33 H new