USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=28 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 -23:sc= 0.726 USER MOD Set 1.2: A 125 THR OG1 : rot 62:sc= 0.633 USER MOD Set 2.1: A 91 THR OG1 : rot 180:sc= -0.283 USER MOD Set 2.2: A 92 HIS : no HE2:sc= -7.15! C(o=-7.4!,f=-8.6!) USER MOD Set 3.1: A 71 HIS : no HD1:sc= -6.11! C(o=-6!,f=-9.4!) USER MOD Set 3.2: A 90 SER OG : rot 171:sc= 0.271 USER MOD Set 3.3: A 94 THR OG1 : rot 180:sc= -0.143 USER MOD Set 4.1: A 77 HIS :FLIP no HE2:sc= -6.65! C(o=-15!,f=-11!) USER MOD Set 4.2: A 79 HIS : no HE2:sc= -3.95! C(o=-11!,f=-11!) USER MOD Set 5.1: A 64 HIS : no HE2:sc= 0.175 K(o=0.65,f=-3.6) USER MOD Set 5.2: A 66 SER OG : rot 180:sc= 0.479 USER MOD Set 6.1: A 33 LYS NZ :NH3+ -131:sc= -3.18! (180deg=0) USER MOD Set 6.2: A 36 LYS NZ :NH3+ -156:sc= -7.09! (180deg=-3.97!) USER MOD Single : A 18 THR OG1 : rot -39:sc= 0.152 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -2.03 F(o=-3.7!,f=-2) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -141:sc= -4.79! (180deg=-6.24!) 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= -0.14 X(o=-0.14,f=-0.49) USER MOD Single : A 58 CYS SG : rot 123:sc= -3.47! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -6.65! USER MOD Single : A 68 SER OG : rot 180:sc= -0.175 USER MOD Single : A 76 TYR OH : rot -30:sc= -1.67 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN :FLIP amide:sc= -2.32! C(o=-3.6!,f=-2.3!) USER MOD Single : A 98 HIS :FLIP no HE2:sc= -0.656 F(o=-2.1!,f=-0.66) USER MOD Single : A 104 HIS : no HD1:sc= -3.01! C(o=-3!,f=-2.5!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN :FLIP amide:sc= -1.6 F(o=-2.4,f=-1.6) USER MOD Single : A 108 GLN : amide:sc= -0.0485 X(o=-0.049,f=-0.14) USER MOD Single : A 113 SER OG : rot 90:sc= -5.63! USER MOD Single : A 116 SER OG : rot 39:sc= 0.0913! USER MOD Single : A 124 TYR OH : rot 30:sc= -0.633 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 17 20.973 4.246 -19.251 1.00 23.51 N ATOM 215 CA PRO A 17 21.608 4.523 -20.528 1.00 61.11 C ATOM 216 C PRO A 17 23.048 4.007 -20.548 1.00 62.33 C ATOM 217 O PRO A 17 23.423 3.169 -19.729 1.00 12.21 O ATOM 218 CB PRO A 17 21.515 6.031 -20.694 1.00 61.24 C ATOM 219 CG PRO A 17 21.253 6.588 -19.305 1.00 1.13 C ATOM 220 CD PRO A 17 20.848 5.430 -18.407 1.00 55.42 C ATOM 0 HA PRO A 17 21.121 4.013 -21.359 1.00 61.11 H new ATOM 0 HB2 PRO A 17 22.438 6.436 -21.109 1.00 61.24 H new ATOM 0 HB3 PRO A 17 20.712 6.300 -21.380 1.00 61.24 H new ATOM 0 HG2 PRO A 17 22.145 7.079 -18.916 1.00 1.13 H new ATOM 0 HG3 PRO A 17 20.464 7.340 -19.338 1.00 1.13 H new ATOM 0 HD2 PRO A 17 21.494 5.363 -17.532 1.00 55.42 H new ATOM 0 HD3 PRO A 17 19.828 5.550 -18.042 1.00 55.42 H new ATOM 228 N THR A 18 23.817 4.528 -21.493 1.00 53.03 N ATOM 229 CA THR A 18 25.208 4.131 -21.631 1.00 35.51 C ATOM 230 C THR A 18 26.133 5.297 -21.280 1.00 52.42 C ATOM 231 O THR A 18 27.353 5.141 -21.256 1.00 13.34 O ATOM 232 CB THR A 18 25.409 3.601 -23.052 1.00 24.31 C ATOM 233 OG1 THR A 18 26.599 2.821 -22.966 1.00 32.41 O ATOM 234 CG2 THR A 18 25.762 4.709 -24.046 1.00 1.43 C ATOM 0 H THR A 18 23.503 5.222 -22.171 1.00 53.03 H new ATOM 0 HA THR A 18 25.463 3.334 -20.932 1.00 35.51 H new ATOM 0 HB THR A 18 24.503 3.093 -23.381 1.00 24.31 H new ATOM 0 HG1 THR A 18 27.246 3.274 -22.385 1.00 32.41 H new ATOM 0 HG21 THR A 18 25.894 4.279 -25.039 1.00 1.43 H new ATOM 0 HG22 THR A 18 24.957 5.444 -24.073 1.00 1.43 H new ATOM 0 HG23 THR A 18 26.687 5.195 -23.736 1.00 1.43 H new ATOM 242 N TRP A 19 25.517 6.441 -21.018 1.00 21.23 N ATOM 243 CA TRP A 19 26.270 7.634 -20.670 1.00 23.45 C ATOM 244 C TRP A 19 26.336 7.722 -19.143 1.00 45.35 C ATOM 245 O TRP A 19 26.971 8.623 -18.597 1.00 43.34 O ATOM 246 CB TRP A 19 25.656 8.877 -21.315 1.00 2.54 C ATOM 247 CG TRP A 19 24.130 8.836 -21.418 1.00 62.21 C ATOM 248 CD1 TRP A 19 23.383 8.259 -22.370 1.00 3.25 C ATOM 249 CD2 TRP A 19 23.189 9.421 -20.493 1.00 24.40 C ATOM 250 NE1 TRP A 19 22.035 8.429 -22.127 1.00 24.15 N ATOM 251 CE2 TRP A 19 21.914 9.158 -20.949 1.00 71.50 C ATOM 252 CE3 TRP A 19 23.409 10.148 -19.310 1.00 21.32 C ATOM 253 CZ2 TRP A 19 20.759 9.585 -20.284 1.00 35.02 C ATOM 254 CZ3 TRP A 19 22.244 10.568 -18.657 1.00 21.12 C ATOM 255 CH2 TRP A 19 20.953 10.311 -19.103 1.00 11.31 C ATOM 0 H TRP A 19 24.505 6.567 -21.040 1.00 21.23 H new ATOM 0 HA TRP A 19 27.286 7.577 -21.060 1.00 23.45 H new ATOM 0 HB2 TRP A 19 25.947 9.755 -20.738 1.00 2.54 H new ATOM 0 HB3 TRP A 19 26.074 8.999 -22.314 1.00 2.54 H new ATOM 0 HD1 TRP A 19 23.785 7.728 -23.220 1.00 3.25 H new ATOM 0 HE1 TRP A 19 21.269 8.084 -22.705 1.00 24.15 H new ATOM 0 HE3 TRP A 19 24.398 10.365 -18.935 1.00 21.32 H new ATOM 0 HZ2 TRP A 19 19.771 9.366 -20.662 1.00 35.02 H new ATOM 0 HZ3 TRP A 19 22.356 11.131 -17.742 1.00 21.12 H new ATOM 0 HH2 TRP A 19 20.103 10.670 -18.541 1.00 11.31 H new ATOM 266 N ALA A 20 25.672 6.775 -18.498 1.00 70.03 N ATOM 267 CA ALA A 20 25.647 6.735 -17.046 1.00 23.20 C ATOM 268 C ALA A 20 26.997 6.232 -16.531 1.00 64.30 C ATOM 269 O ALA A 20 27.564 5.289 -17.082 1.00 51.22 O ATOM 270 CB ALA A 20 24.482 5.860 -16.579 1.00 63.31 C ATOM 0 H ALA A 20 25.147 6.029 -18.954 1.00 70.03 H new ATOM 0 HA ALA A 20 25.489 7.733 -16.637 1.00 23.20 H new ATOM 0 HB1 ALA A 20 24.463 5.830 -15.490 1.00 63.31 H new ATOM 0 HB2 ALA A 20 23.544 6.276 -16.947 1.00 63.31 H new ATOM 0 HB3 ALA A 20 24.607 4.849 -16.968 1.00 63.31 H new ATOM 276 N GLY A 21 27.474 6.883 -15.480 1.00 74.20 N ATOM 277 CA GLY A 21 28.747 6.513 -14.884 1.00 55.35 C ATOM 278 C GLY A 21 28.703 6.661 -13.362 1.00 60.32 C ATOM 279 O GLY A 21 28.149 7.629 -12.844 1.00 43.33 O ATOM 0 H GLY A 21 27.002 7.665 -15.026 1.00 74.20 H new ATOM 0 HA2 GLY A 21 28.990 5.483 -15.146 1.00 55.35 H new ATOM 0 HA3 GLY A 21 29.540 7.141 -15.291 1.00 55.35 H new ATOM 283 N LYS A 22 29.294 5.685 -12.688 1.00 44.31 N ATOM 284 CA LYS A 22 29.330 5.694 -11.236 1.00 1.35 C ATOM 285 C LYS A 22 29.795 7.069 -10.750 1.00 31.44 C ATOM 286 O LYS A 22 30.913 7.489 -11.042 1.00 63.11 O ATOM 287 CB LYS A 22 30.183 4.537 -10.713 1.00 63.54 C ATOM 288 CG LYS A 22 29.697 4.074 -9.338 1.00 61.34 C ATOM 289 CD LYS A 22 28.633 2.982 -9.472 1.00 1.41 C ATOM 290 CE LYS A 22 28.932 1.808 -8.538 1.00 10.12 C ATOM 291 NZ LYS A 22 27.681 1.108 -8.169 1.00 64.33 N ATOM 0 H LYS A 22 29.752 4.883 -13.121 1.00 44.31 H new ATOM 0 HA LYS A 22 28.332 5.532 -10.830 1.00 1.35 H new ATOM 0 HB2 LYS A 22 30.143 3.705 -11.416 1.00 63.54 H new ATOM 0 HB3 LYS A 22 31.225 4.850 -10.648 1.00 63.54 H new ATOM 0 HG2 LYS A 22 30.540 3.697 -8.758 1.00 61.34 H new ATOM 0 HG3 LYS A 22 29.286 4.921 -8.789 1.00 61.34 H new ATOM 0 HD2 LYS A 22 27.651 3.395 -9.240 1.00 1.41 H new ATOM 0 HD3 LYS A 22 28.595 2.631 -10.503 1.00 1.41 H new ATOM 0 HE2 LYS A 22 29.615 1.112 -9.026 1.00 10.12 H new ATOM 0 HE3 LYS A 22 29.433 2.169 -7.639 1.00 10.12 H new ATOM 0 HZ1 LYS A 22 27.902 0.314 -7.535 1.00 64.33 H new ATOM 0 HZ2 LYS A 22 27.042 1.771 -7.685 1.00 64.33 H new ATOM 0 HZ3 LYS A 22 27.219 0.747 -9.028 1.00 64.33 H new ATOM 304 N PRO A 23 28.889 7.748 -9.996 1.00 44.43 N ATOM 305 CA PRO A 23 29.195 9.067 -9.467 1.00 22.50 C ATOM 306 C PRO A 23 30.160 8.972 -8.284 1.00 25.14 C ATOM 307 O PRO A 23 30.217 7.948 -7.604 1.00 14.30 O ATOM 308 CB PRO A 23 27.848 9.661 -9.089 1.00 23.21 C ATOM 309 CG PRO A 23 26.889 8.486 -8.986 1.00 13.53 C ATOM 310 CD PRO A 23 27.555 7.282 -9.630 1.00 24.13 C ATOM 0 HA PRO A 23 29.707 9.702 -10.190 1.00 22.50 H new ATOM 0 HB2 PRO A 23 27.910 10.199 -8.143 1.00 23.21 H new ATOM 0 HB3 PRO A 23 27.511 10.375 -9.840 1.00 23.21 H new ATOM 0 HG2 PRO A 23 26.651 8.278 -7.943 1.00 13.53 H new ATOM 0 HG3 PRO A 23 25.949 8.716 -9.488 1.00 13.53 H new ATOM 0 HD2 PRO A 23 27.605 6.441 -8.939 1.00 24.13 H new ATOM 0 HD3 PRO A 23 27.000 6.943 -10.505 1.00 24.13 H new ATOM 318 N PRO A 24 30.916 10.082 -8.068 1.00 12.11 N ATOM 319 CA PRO A 24 31.876 10.134 -6.978 1.00 52.04 C ATOM 320 C PRO A 24 31.169 10.311 -5.633 1.00 1.11 C ATOM 321 O PRO A 24 30.053 10.826 -5.577 1.00 25.14 O ATOM 322 CB PRO A 24 32.798 11.292 -7.322 1.00 3.12 C ATOM 323 CG PRO A 24 32.049 12.134 -8.341 1.00 54.05 C ATOM 324 CD PRO A 24 30.876 11.313 -8.852 1.00 62.35 C ATOM 0 HA PRO A 24 32.443 9.209 -6.871 1.00 52.04 H new ATOM 0 HB2 PRO A 24 33.039 11.876 -6.434 1.00 3.12 H new ATOM 0 HB3 PRO A 24 33.742 10.931 -7.732 1.00 3.12 H new ATOM 0 HG2 PRO A 24 31.697 13.060 -7.886 1.00 54.05 H new ATOM 0 HG3 PRO A 24 32.707 12.413 -9.164 1.00 54.05 H new ATOM 0 HD2 PRO A 24 29.933 11.841 -8.713 1.00 62.35 H new ATOM 0 HD3 PRO A 24 30.971 11.107 -9.918 1.00 62.35 H new ATOM 332 N PRO A 25 31.866 9.863 -4.554 1.00 50.04 N ATOM 333 CA PRO A 25 31.317 9.967 -3.213 1.00 64.10 C ATOM 334 C PRO A 25 31.386 11.408 -2.702 1.00 63.45 C ATOM 335 O PRO A 25 32.220 11.731 -1.858 1.00 15.44 O ATOM 336 CB PRO A 25 32.139 9.000 -2.376 1.00 11.20 C ATOM 337 CG PRO A 25 33.410 8.739 -3.168 1.00 73.00 C ATOM 338 CD PRO A 25 33.190 9.248 -4.583 1.00 73.23 C ATOM 0 HA PRO A 25 30.259 9.710 -3.171 1.00 64.10 H new ATOM 0 HB2 PRO A 25 32.368 9.426 -1.399 1.00 11.20 H new ATOM 0 HB3 PRO A 25 31.592 8.074 -2.199 1.00 11.20 H new ATOM 0 HG2 PRO A 25 34.258 9.246 -2.707 1.00 73.00 H new ATOM 0 HG3 PRO A 25 33.642 7.674 -3.177 1.00 73.00 H new ATOM 0 HD2 PRO A 25 33.956 9.970 -4.868 1.00 73.23 H new ATOM 0 HD3 PRO A 25 33.233 8.435 -5.308 1.00 73.23 H new ATOM 346 N GLY A 26 30.499 12.234 -3.237 1.00 1.02 N ATOM 347 CA GLY A 26 30.449 13.633 -2.846 1.00 33.43 C ATOM 348 C GLY A 26 29.224 14.326 -3.446 1.00 32.22 C ATOM 349 O GLY A 26 29.263 15.520 -3.739 1.00 64.31 O ATOM 0 H GLY A 26 29.809 11.962 -3.938 1.00 1.02 H new ATOM 0 HA2 GLY A 26 30.419 13.710 -1.759 1.00 33.43 H new ATOM 0 HA3 GLY A 26 31.356 14.139 -3.176 1.00 33.43 H new ATOM 353 N LEU A 27 28.164 13.547 -3.610 1.00 44.45 N ATOM 354 CA LEU A 27 26.930 14.072 -4.170 1.00 63.43 C ATOM 355 C LEU A 27 25.758 13.672 -3.272 1.00 72.34 C ATOM 356 O LEU A 27 25.902 12.815 -2.402 1.00 70.41 O ATOM 357 CB LEU A 27 26.770 13.626 -5.625 1.00 43.33 C ATOM 358 CG LEU A 27 27.989 13.830 -6.527 1.00 45.31 C ATOM 359 CD1 LEU A 27 28.011 12.803 -7.660 1.00 63.33 C ATOM 360 CD2 LEU A 27 28.048 15.266 -7.054 1.00 30.44 C ATOM 0 H LEU A 27 28.134 12.557 -3.365 1.00 44.45 H new ATOM 0 HA LEU A 27 26.956 15.161 -4.196 1.00 63.43 H new ATOM 0 HB2 LEU A 27 26.510 12.568 -5.633 1.00 43.33 H new ATOM 0 HB3 LEU A 27 25.928 14.165 -6.059 1.00 43.33 H new ATOM 0 HG LEU A 27 28.886 13.669 -5.929 1.00 45.31 H new ATOM 0 HD11 LEU A 27 28.887 12.971 -8.286 1.00 63.33 H new ATOM 0 HD12 LEU A 27 28.052 11.798 -7.240 1.00 63.33 H new ATOM 0 HD13 LEU A 27 27.109 12.907 -8.263 1.00 63.33 H new ATOM 0 HD21 LEU A 27 28.924 15.384 -7.692 1.00 30.44 H new ATOM 0 HD22 LEU A 27 27.148 15.479 -7.630 1.00 30.44 H new ATOM 0 HD23 LEU A 27 28.115 15.959 -6.215 1.00 30.44 H new ATOM 372 N HIS A 28 24.623 14.312 -3.515 1.00 23.33 N ATOM 373 CA HIS A 28 23.427 14.034 -2.739 1.00 34.51 C ATOM 374 C HIS A 28 22.260 14.862 -3.280 1.00 51.03 C ATOM 375 O HIS A 28 22.455 15.980 -3.754 1.00 51.15 O ATOM 376 CB HIS A 28 23.679 14.268 -1.248 1.00 50.12 C ATOM 377 CG HIS A 28 23.836 15.723 -0.873 1.00 61.54 C ATOM 378 ND1 HIS A 28 22.959 16.594 -0.297 1.00 30.04 N flip ATOM 379 CD2 HIS A 28 25.006 16.430 -1.089 1.00 5.10 C flip ATOM 380 CE1 HIS A 28 23.562 17.770 -0.166 1.00 64.04 C flip ATOM 381 NE2 HIS A 28 24.830 17.670 -0.656 1.00 34.43 N flip ATOM 0 H HIS A 28 24.507 15.022 -4.238 1.00 23.33 H new ATOM 0 HA HIS A 28 23.160 12.982 -2.842 1.00 34.51 H new ATOM 0 HB2 HIS A 28 22.852 13.844 -0.679 1.00 50.12 H new ATOM 0 HB3 HIS A 28 24.579 13.728 -0.953 1.00 50.12 H new ATOM 0 HD2 HIS A 28 25.908 16.038 -1.534 1.00 5.10 H new ATOM 0 HE1 HIS A 28 23.120 18.659 0.259 1.00 64.04 H new ATOM 0 HE2 HIS A 28 25.522 18.419 -0.684 1.00 34.43 H new ATOM 389 N LEU A 29 21.072 14.281 -3.192 1.00 3.35 N ATOM 390 CA LEU A 29 19.874 14.952 -3.667 1.00 31.24 C ATOM 391 C LEU A 29 19.269 15.774 -2.527 1.00 31.12 C ATOM 392 O LEU A 29 19.839 15.847 -1.439 1.00 52.32 O ATOM 393 CB LEU A 29 18.902 13.942 -4.279 1.00 70.44 C ATOM 394 CG LEU A 29 18.838 13.915 -5.808 1.00 32.31 C ATOM 395 CD1 LEU A 29 17.672 13.051 -6.293 1.00 32.15 C ATOM 396 CD2 LEU A 29 18.777 15.333 -6.379 1.00 73.21 C ATOM 0 H LEU A 29 20.914 13.353 -2.799 1.00 3.35 H new ATOM 0 HA LEU A 29 20.120 15.649 -4.468 1.00 31.24 H new ATOM 0 HB2 LEU A 29 19.175 12.947 -3.929 1.00 70.44 H new ATOM 0 HB3 LEU A 29 17.903 14.151 -3.897 1.00 70.44 H new ATOM 0 HG LEU A 29 19.754 13.457 -6.180 1.00 32.31 H new ATOM 0 HD11 LEU A 29 17.649 13.049 -7.383 1.00 32.15 H new ATOM 0 HD12 LEU A 29 17.800 12.031 -5.931 1.00 32.15 H new ATOM 0 HD13 LEU A 29 16.735 13.457 -5.911 1.00 32.15 H new ATOM 0 HD21 LEU A 29 18.732 15.285 -7.467 1.00 73.21 H new ATOM 0 HD22 LEU A 29 17.889 15.840 -6.001 1.00 73.21 H new ATOM 0 HD23 LEU A 29 19.666 15.886 -6.076 1.00 73.21 H new ATOM 408 N ASP A 30 18.122 16.372 -2.815 1.00 22.40 N ATOM 409 CA ASP A 30 17.434 17.186 -1.828 1.00 34.53 C ATOM 410 C ASP A 30 16.002 17.448 -2.299 1.00 11.53 C ATOM 411 O ASP A 30 15.666 17.184 -3.452 1.00 53.40 O ATOM 412 CB ASP A 30 18.128 18.537 -1.647 1.00 53.03 C ATOM 413 CG ASP A 30 19.653 18.472 -1.548 1.00 41.54 C ATOM 414 OD1 ASP A 30 20.344 18.164 -2.530 1.00 63.45 O ATOM 415 OD2 ASP A 30 20.137 18.760 -0.387 1.00 72.45 O ATOM 0 H ASP A 30 17.652 16.309 -3.718 1.00 22.40 H new ATOM 0 HA ASP A 30 17.443 16.647 -0.881 1.00 34.53 H new ATOM 0 HB2 ASP A 30 17.860 19.181 -2.485 1.00 53.03 H new ATOM 0 HB3 ASP A 30 17.740 19.010 -0.745 1.00 53.03 H new ATOM 421 N VAL A 31 15.197 17.965 -1.382 1.00 50.40 N ATOM 422 CA VAL A 31 13.809 18.267 -1.689 1.00 61.01 C ATOM 423 C VAL A 31 13.395 19.545 -0.957 1.00 45.32 C ATOM 424 O VAL A 31 13.810 19.777 0.177 1.00 2.14 O ATOM 425 CB VAL A 31 12.924 17.067 -1.344 1.00 2.51 C ATOM 426 CG1 VAL A 31 11.452 17.372 -1.630 1.00 64.54 C ATOM 427 CG2 VAL A 31 13.382 15.815 -2.094 1.00 75.11 C ATOM 0 H VAL A 31 15.479 18.182 -0.426 1.00 50.40 H new ATOM 0 HA VAL A 31 13.685 18.450 -2.756 1.00 61.01 H new ATOM 0 HB VAL A 31 13.024 16.872 -0.276 1.00 2.51 H new ATOM 0 HG11 VAL A 31 10.844 16.503 -1.376 1.00 64.54 H new ATOM 0 HG12 VAL A 31 11.134 18.225 -1.030 1.00 64.54 H new ATOM 0 HG13 VAL A 31 11.328 17.606 -2.687 1.00 64.54 H new ATOM 0 HG21 VAL A 31 12.737 14.977 -1.831 1.00 75.11 H new ATOM 0 HG22 VAL A 31 13.326 15.993 -3.168 1.00 75.11 H new ATOM 0 HG23 VAL A 31 14.410 15.581 -1.818 1.00 75.11 H new ATOM 437 N VAL A 32 12.583 20.341 -1.636 1.00 50.44 N ATOM 438 CA VAL A 32 12.109 21.590 -1.065 1.00 13.41 C ATOM 439 C VAL A 32 10.648 21.807 -1.465 1.00 32.22 C ATOM 440 O VAL A 32 10.293 21.665 -2.634 1.00 31.10 O ATOM 441 CB VAL A 32 13.022 22.741 -1.492 1.00 1.35 C ATOM 442 CG1 VAL A 32 12.984 23.879 -0.470 1.00 11.25 C ATOM 443 CG2 VAL A 32 14.454 22.251 -1.713 1.00 44.14 C ATOM 0 H VAL A 32 12.241 20.145 -2.577 1.00 50.44 H new ATOM 0 HA VAL A 32 12.146 21.550 0.024 1.00 13.41 H new ATOM 0 HB VAL A 32 12.650 23.130 -2.440 1.00 1.35 H new ATOM 0 HG11 VAL A 32 13.642 24.684 -0.798 1.00 11.25 H new ATOM 0 HG12 VAL A 32 11.965 24.256 -0.383 1.00 11.25 H new ATOM 0 HG13 VAL A 32 13.319 23.509 0.499 1.00 11.25 H new ATOM 0 HG21 VAL A 32 15.082 23.089 -2.016 1.00 44.14 H new ATOM 0 HG22 VAL A 32 14.839 21.824 -0.787 1.00 44.14 H new ATOM 0 HG23 VAL A 32 14.462 21.491 -2.494 1.00 44.14 H new ATOM 453 N LYS A 33 9.840 22.147 -0.471 1.00 71.04 N ATOM 454 CA LYS A 33 8.425 22.384 -0.705 1.00 5.52 C ATOM 455 C LYS A 33 8.255 23.675 -1.508 1.00 43.51 C ATOM 456 O LYS A 33 7.204 23.906 -2.103 1.00 40.44 O ATOM 457 CB LYS A 33 7.656 22.377 0.617 1.00 35.23 C ATOM 458 CG LYS A 33 8.120 23.515 1.529 1.00 73.33 C ATOM 459 CD LYS A 33 6.948 24.091 2.326 1.00 50.30 C ATOM 460 CE LYS A 33 5.995 22.983 2.778 1.00 13.42 C ATOM 461 NZ LYS A 33 5.376 23.330 4.077 1.00 10.32 N ATOM 0 H LYS A 33 10.138 22.264 0.498 1.00 71.04 H new ATOM 0 HA LYS A 33 7.997 21.578 -1.301 1.00 5.52 H new ATOM 0 HB2 LYS A 33 6.588 22.476 0.421 1.00 35.23 H new ATOM 0 HB3 LYS A 33 7.800 21.421 1.120 1.00 35.23 H new ATOM 0 HG2 LYS A 33 8.885 23.148 2.214 1.00 73.33 H new ATOM 0 HG3 LYS A 33 8.579 24.302 0.930 1.00 73.33 H new ATOM 0 HD2 LYS A 33 7.325 24.629 3.196 1.00 50.30 H new ATOM 0 HD3 LYS A 33 6.408 24.813 1.714 1.00 50.30 H new ATOM 0 HE2 LYS A 33 5.219 22.834 2.027 1.00 13.42 H new ATOM 0 HE3 LYS A 33 6.538 22.042 2.867 1.00 13.42 H new ATOM 0 HZ1 LYS A 33 5.460 22.524 4.728 1.00 10.32 H new ATOM 0 HZ2 LYS A 33 5.861 24.155 4.483 1.00 10.32 H new ATOM 0 HZ3 LYS A 33 4.371 23.555 3.933 1.00 10.32 H new ATOM 474 N GLY A 34 9.306 24.483 -1.499 1.00 14.11 N ATOM 475 CA GLY A 34 9.286 25.745 -2.219 1.00 74.13 C ATOM 476 C GLY A 34 10.431 26.653 -1.766 1.00 53.12 C ATOM 477 O GLY A 34 11.248 27.080 -2.580 1.00 63.10 O ATOM 0 H GLY A 34 10.176 24.288 -1.004 1.00 14.11 H new ATOM 0 HA2 GLY A 34 9.367 25.558 -3.290 1.00 74.13 H new ATOM 0 HA3 GLY A 34 8.332 26.247 -2.054 1.00 74.13 H new ATOM 481 N ASP A 35 10.453 26.922 -0.469 1.00 74.31 N ATOM 482 CA ASP A 35 11.484 27.771 0.102 1.00 52.40 C ATOM 483 C ASP A 35 11.978 27.156 1.412 1.00 20.45 C ATOM 484 O ASP A 35 12.679 27.809 2.184 1.00 62.33 O ATOM 485 CB ASP A 35 10.939 29.167 0.411 1.00 34.04 C ATOM 486 CG ASP A 35 10.234 29.860 -0.757 1.00 20.32 C ATOM 487 OD1 ASP A 35 10.726 29.851 -1.895 1.00 1.41 O ATOM 488 OD2 ASP A 35 9.118 30.434 -0.457 1.00 62.35 O ATOM 0 H ASP A 35 9.773 26.567 0.203 1.00 74.31 H new ATOM 0 HA ASP A 35 12.294 27.852 -0.623 1.00 52.40 H new ATOM 0 HB2 ASP A 35 10.240 29.091 1.244 1.00 34.04 H new ATOM 0 HB3 ASP A 35 11.764 29.797 0.743 1.00 34.04 H new ATOM 494 N LYS A 36 11.593 25.906 1.624 1.00 30.30 N ATOM 495 CA LYS A 36 11.988 25.194 2.828 1.00 42.41 C ATOM 496 C LYS A 36 12.420 23.774 2.457 1.00 1.24 C ATOM 497 O LYS A 36 11.661 23.033 1.834 1.00 1.43 O ATOM 498 CB LYS A 36 10.870 25.245 3.871 1.00 24.23 C ATOM 499 CG LYS A 36 10.863 23.977 4.729 1.00 41.54 C ATOM 500 CD LYS A 36 9.708 24.000 5.731 1.00 15.42 C ATOM 501 CE LYS A 36 8.977 22.657 5.756 1.00 34.51 C ATOM 502 NZ LYS A 36 7.753 22.717 4.926 1.00 72.22 N ATOM 0 H LYS A 36 11.011 25.368 0.982 1.00 30.30 H new ATOM 0 HA LYS A 36 12.848 25.677 3.292 1.00 42.41 H new ATOM 0 HB2 LYS A 36 11.002 26.119 4.509 1.00 24.23 H new ATOM 0 HB3 LYS A 36 9.907 25.357 3.372 1.00 24.23 H new ATOM 0 HG2 LYS A 36 10.775 23.100 4.088 1.00 41.54 H new ATOM 0 HG3 LYS A 36 11.810 23.889 5.262 1.00 41.54 H new ATOM 0 HD2 LYS A 36 10.090 24.229 6.726 1.00 15.42 H new ATOM 0 HD3 LYS A 36 9.009 24.794 5.467 1.00 15.42 H new ATOM 0 HE2 LYS A 36 9.636 21.871 5.387 1.00 34.51 H new ATOM 0 HE3 LYS A 36 8.715 22.398 6.782 1.00 34.51 H new ATOM 0 HZ1 LYS A 36 7.077 21.998 5.252 1.00 72.22 H new ATOM 0 HZ2 LYS A 36 7.323 23.660 5.010 1.00 72.22 H new ATOM 0 HZ3 LYS A 36 7.998 22.535 3.932 1.00 72.22 H new ATOM 515 N LEU A 37 13.638 23.437 2.856 1.00 13.23 N ATOM 516 CA LEU A 37 14.180 22.119 2.574 1.00 33.10 C ATOM 517 C LEU A 37 13.378 21.067 3.343 1.00 0.14 C ATOM 518 O LEU A 37 13.356 21.076 4.573 1.00 32.52 O ATOM 519 CB LEU A 37 15.681 22.083 2.866 1.00 21.04 C ATOM 520 CG LEU A 37 16.443 20.876 2.316 1.00 70.31 C ATOM 521 CD1 LEU A 37 15.801 19.566 2.777 1.00 25.32 C ATOM 522 CD2 LEU A 37 16.562 20.950 0.792 1.00 15.43 C ATOM 0 H LEU A 37 14.265 24.054 3.372 1.00 13.23 H new ATOM 0 HA LEU A 37 14.080 21.885 1.514 1.00 33.10 H new ATOM 0 HB2 LEU A 37 16.132 22.988 2.459 1.00 21.04 H new ATOM 0 HB3 LEU A 37 15.822 22.115 3.946 1.00 21.04 H new ATOM 0 HG LEU A 37 17.455 20.899 2.720 1.00 70.31 H new ATOM 0 HD11 LEU A 37 16.362 18.724 2.372 1.00 25.32 H new ATOM 0 HD12 LEU A 37 15.811 19.519 3.866 1.00 25.32 H new ATOM 0 HD13 LEU A 37 14.772 19.521 2.422 1.00 25.32 H new ATOM 0 HD21 LEU A 37 17.108 20.080 0.427 1.00 15.43 H new ATOM 0 HD22 LEU A 37 15.566 20.965 0.350 1.00 15.43 H new ATOM 0 HD23 LEU A 37 17.097 21.858 0.512 1.00 15.43 H new ATOM 534 N ILE A 38 12.739 20.187 2.587 1.00 21.53 N ATOM 535 CA ILE A 38 11.938 19.130 3.183 1.00 42.43 C ATOM 536 C ILE A 38 12.864 18.053 3.751 1.00 70.12 C ATOM 537 O ILE A 38 13.031 17.950 4.965 1.00 1.21 O ATOM 538 CB ILE A 38 10.920 18.596 2.173 1.00 11.53 C ATOM 539 CG1 ILE A 38 9.999 19.714 1.680 1.00 12.32 C ATOM 540 CG2 ILE A 38 10.133 17.421 2.758 1.00 42.45 C ATOM 541 CD1 ILE A 38 9.146 20.266 2.824 1.00 53.50 C ATOM 0 H ILE A 38 12.759 20.184 1.567 1.00 21.53 H new ATOM 0 HA ILE A 38 11.352 19.519 4.016 1.00 42.43 H new ATOM 0 HB ILE A 38 11.463 18.220 1.306 1.00 11.53 H new ATOM 0 HG12 ILE A 38 10.595 20.517 1.246 1.00 12.32 H new ATOM 0 HG13 ILE A 38 9.352 19.335 0.889 1.00 12.32 H new ATOM 0 HG21 ILE A 38 9.416 17.060 2.020 1.00 42.45 H new ATOM 0 HG22 ILE A 38 10.821 16.617 3.020 1.00 42.45 H new ATOM 0 HG23 ILE A 38 9.601 17.748 3.651 1.00 42.45 H new ATOM 0 HD11 ILE A 38 8.501 21.059 2.447 1.00 53.50 H new ATOM 0 HD12 ILE A 38 8.533 19.466 3.240 1.00 53.50 H new ATOM 0 HD13 ILE A 38 9.796 20.666 3.602 1.00 53.50 H new ATOM 553 N GLU A 39 13.441 17.277 2.846 1.00 64.34 N ATOM 554 CA GLU A 39 14.346 16.211 3.241 1.00 20.34 C ATOM 555 C GLU A 39 15.589 16.210 2.349 1.00 54.04 C ATOM 556 O GLU A 39 15.779 17.120 1.543 1.00 31.11 O ATOM 557 CB GLU A 39 13.643 14.852 3.203 1.00 12.42 C ATOM 558 CG GLU A 39 13.549 14.324 1.770 1.00 32.35 C ATOM 559 CD GLU A 39 12.492 13.222 1.661 1.00 45.32 C ATOM 560 OE1 GLU A 39 12.309 12.645 0.579 1.00 62.31 O ATOM 561 OE2 GLU A 39 11.850 12.972 2.751 1.00 4.03 O ATOM 0 H GLU A 39 13.299 17.365 1.840 1.00 64.34 H new ATOM 0 HA GLU A 39 14.661 16.392 4.269 1.00 20.34 H new ATOM 0 HB2 GLU A 39 14.188 14.139 3.822 1.00 12.42 H new ATOM 0 HB3 GLU A 39 12.643 14.944 3.627 1.00 12.42 H new ATOM 0 HG2 GLU A 39 13.299 15.141 1.093 1.00 32.35 H new ATOM 0 HG3 GLU A 39 14.518 13.936 1.457 1.00 32.35 H new ATOM 569 N LYS A 40 16.402 15.179 2.522 1.00 60.32 N ATOM 570 CA LYS A 40 17.621 15.048 1.742 1.00 70.32 C ATOM 571 C LYS A 40 17.779 13.594 1.291 1.00 1.20 C ATOM 572 O LYS A 40 17.275 12.680 1.942 1.00 40.41 O ATOM 573 CB LYS A 40 18.820 15.582 2.528 1.00 61.21 C ATOM 574 CG LYS A 40 19.815 16.282 1.601 1.00 44.42 C ATOM 575 CD LYS A 40 21.038 16.772 2.379 1.00 3.20 C ATOM 576 CE LYS A 40 20.620 17.628 3.576 1.00 15.20 C ATOM 577 NZ LYS A 40 21.810 18.172 4.266 1.00 45.51 N ATOM 0 H LYS A 40 16.241 14.426 3.191 1.00 60.32 H new ATOM 0 HA LYS A 40 17.564 15.657 0.840 1.00 70.32 H new ATOM 0 HB2 LYS A 40 18.477 16.279 3.292 1.00 61.21 H new ATOM 0 HB3 LYS A 40 19.315 14.760 3.045 1.00 61.21 H new ATOM 0 HG2 LYS A 40 20.130 15.595 0.815 1.00 44.42 H new ATOM 0 HG3 LYS A 40 19.329 17.126 1.111 1.00 44.42 H new ATOM 0 HD2 LYS A 40 21.620 15.918 2.724 1.00 3.20 H new ATOM 0 HD3 LYS A 40 21.684 17.352 1.720 1.00 3.20 H new ATOM 0 HE2 LYS A 40 19.982 18.445 3.241 1.00 15.20 H new ATOM 0 HE3 LYS A 40 20.032 17.029 4.271 1.00 15.20 H new ATOM 0 HZ1 LYS A 40 21.508 18.750 5.076 1.00 45.51 H new ATOM 0 HZ2 LYS A 40 22.404 17.388 4.603 1.00 45.51 H new ATOM 0 HZ3 LYS A 40 22.356 18.761 3.605 1.00 45.51 H new ATOM 590 N LEU A 41 18.481 13.426 0.180 1.00 23.22 N ATOM 591 CA LEU A 41 18.712 12.099 -0.365 1.00 62.12 C ATOM 592 C LEU A 41 20.144 12.013 -0.898 1.00 53.54 C ATOM 593 O LEU A 41 20.816 13.033 -1.048 1.00 60.43 O ATOM 594 CB LEU A 41 17.646 11.755 -1.408 1.00 2.15 C ATOM 595 CG LEU A 41 16.204 12.098 -1.030 1.00 53.50 C ATOM 596 CD1 LEU A 41 15.294 12.071 -2.260 1.00 11.23 C ATOM 597 CD2 LEU A 41 15.694 11.178 0.081 1.00 52.12 C ATOM 0 H LEU A 41 18.897 14.186 -0.357 1.00 23.22 H new ATOM 0 HA LEU A 41 18.616 11.345 0.416 1.00 62.12 H new ATOM 0 HB2 LEU A 41 17.891 12.274 -2.334 1.00 2.15 H new ATOM 0 HB3 LEU A 41 17.702 10.687 -1.617 1.00 2.15 H new ATOM 0 HG LEU A 41 16.186 13.115 -0.638 1.00 53.50 H new ATOM 0 HD11 LEU A 41 14.275 12.318 -1.964 1.00 11.23 H new ATOM 0 HD12 LEU A 41 15.647 12.800 -2.990 1.00 11.23 H new ATOM 0 HD13 LEU A 41 15.312 11.076 -2.704 1.00 11.23 H new ATOM 0 HD21 LEU A 41 14.667 11.444 0.330 1.00 52.12 H new ATOM 0 HD22 LEU A 41 15.729 10.143 -0.259 1.00 52.12 H new ATOM 0 HD23 LEU A 41 16.323 11.291 0.964 1.00 52.12 H new ATOM 609 N ILE A 42 20.568 10.788 -1.170 1.00 52.02 N ATOM 610 CA ILE A 42 21.907 10.556 -1.684 1.00 2.25 C ATOM 611 C ILE A 42 21.816 10.058 -3.127 1.00 43.44 C ATOM 612 O ILE A 42 20.863 9.372 -3.492 1.00 62.22 O ATOM 613 CB ILE A 42 22.681 9.617 -0.757 1.00 20.54 C ATOM 614 CG1 ILE A 42 23.083 10.330 0.536 1.00 65.13 C ATOM 615 CG2 ILE A 42 23.887 9.008 -1.475 1.00 42.32 C ATOM 616 CD1 ILE A 42 21.856 10.891 1.257 1.00 5.20 C ATOM 0 H ILE A 42 20.008 9.945 -1.044 1.00 52.02 H new ATOM 0 HA ILE A 42 22.474 11.487 -1.703 1.00 2.25 H new ATOM 0 HB ILE A 42 22.023 8.794 -0.479 1.00 20.54 H new ATOM 0 HG12 ILE A 42 23.608 9.634 1.191 1.00 65.13 H new ATOM 0 HG13 ILE A 42 23.777 11.139 0.309 1.00 65.13 H new ATOM 0 HG21 ILE A 42 24.419 8.345 -0.793 1.00 42.32 H new ATOM 0 HG22 ILE A 42 23.546 8.441 -2.341 1.00 42.32 H new ATOM 0 HG23 ILE A 42 24.556 9.804 -1.803 1.00 42.32 H new ATOM 0 HD11 ILE A 42 22.170 11.393 2.173 1.00 5.20 H new ATOM 0 HD12 ILE A 42 21.347 11.604 0.608 1.00 5.20 H new ATOM 0 HD13 ILE A 42 21.175 10.076 1.505 1.00 5.20 H new ATOM 628 N ILE A 43 22.821 10.424 -3.910 1.00 51.11 N ATOM 629 CA ILE A 43 22.866 10.023 -5.306 1.00 3.30 C ATOM 630 C ILE A 43 24.308 9.680 -5.687 1.00 11.50 C ATOM 631 O ILE A 43 24.634 9.580 -6.869 1.00 23.13 O ATOM 632 CB ILE A 43 22.235 11.098 -6.193 1.00 11.31 C ATOM 633 CG1 ILE A 43 22.792 12.483 -5.857 1.00 13.23 C ATOM 634 CG2 ILE A 43 20.708 11.057 -6.102 1.00 21.20 C ATOM 635 CD1 ILE A 43 23.802 12.939 -6.912 1.00 20.34 C ATOM 0 H ILE A 43 23.610 10.994 -3.604 1.00 51.11 H new ATOM 0 HA ILE A 43 22.271 9.123 -5.463 1.00 3.30 H new ATOM 0 HB ILE A 43 22.502 10.886 -7.228 1.00 11.31 H new ATOM 0 HG12 ILE A 43 21.975 13.202 -5.796 1.00 13.23 H new ATOM 0 HG13 ILE A 43 23.270 12.459 -4.878 1.00 13.23 H new ATOM 0 HG21 ILE A 43 20.284 11.831 -6.742 1.00 21.20 H new ATOM 0 HG22 ILE A 43 20.350 10.081 -6.428 1.00 21.20 H new ATOM 0 HG23 ILE A 43 20.400 11.230 -5.071 1.00 21.20 H new ATOM 0 HD11 ILE A 43 24.182 13.926 -6.649 1.00 20.34 H new ATOM 0 HD12 ILE A 43 24.629 12.231 -6.954 1.00 20.34 H new ATOM 0 HD13 ILE A 43 23.315 12.986 -7.886 1.00 20.34 H new ATOM 647 N ASP A 44 25.132 9.510 -4.664 1.00 2.53 N ATOM 648 CA ASP A 44 26.531 9.181 -4.876 1.00 43.04 C ATOM 649 C ASP A 44 26.754 7.699 -4.570 1.00 21.34 C ATOM 650 O ASP A 44 27.730 7.337 -3.913 1.00 75.24 O ATOM 651 CB ASP A 44 27.436 9.997 -3.951 1.00 20.42 C ATOM 652 CG ASP A 44 27.191 9.785 -2.456 1.00 33.35 C ATOM 653 OD1 ASP A 44 26.571 10.623 -1.785 1.00 12.51 O ATOM 654 OD2 ASP A 44 27.673 8.689 -1.974 1.00 14.31 O ATOM 0 H ASP A 44 24.857 9.594 -3.685 1.00 2.53 H new ATOM 0 HA ASP A 44 26.777 9.409 -5.913 1.00 43.04 H new ATOM 0 HB2 ASP A 44 28.474 9.750 -4.172 1.00 20.42 H new ATOM 0 HB3 ASP A 44 27.305 11.055 -4.179 1.00 20.42 H new ATOM 660 N GLU A 45 25.833 6.881 -5.059 1.00 5.12 N ATOM 661 CA GLU A 45 25.917 5.446 -4.845 1.00 41.31 C ATOM 662 C GLU A 45 25.758 4.702 -6.172 1.00 71.22 C ATOM 663 O GLU A 45 26.534 3.798 -6.478 1.00 30.32 O ATOM 664 CB GLU A 45 24.874 4.982 -3.827 1.00 75.23 C ATOM 665 CG GLU A 45 24.511 6.110 -2.860 1.00 12.40 C ATOM 666 CD GLU A 45 24.111 5.553 -1.492 1.00 65.12 C ATOM 667 OE1 GLU A 45 24.833 5.758 -0.505 1.00 15.35 O ATOM 668 OE2 GLU A 45 23.007 4.886 -1.476 1.00 65.25 O ATOM 0 H GLU A 45 25.025 7.185 -5.603 1.00 5.12 H new ATOM 0 HA GLU A 45 26.901 5.215 -4.438 1.00 41.31 H new ATOM 0 HB2 GLU A 45 23.979 4.643 -4.348 1.00 75.23 H new ATOM 0 HB3 GLU A 45 25.260 4.130 -3.268 1.00 75.23 H new ATOM 0 HG2 GLU A 45 25.360 6.785 -2.748 1.00 12.40 H new ATOM 0 HG3 GLU A 45 23.690 6.697 -3.272 1.00 12.40 H new ATOM 676 N LYS A 46 24.747 5.109 -6.925 1.00 51.42 N ATOM 677 CA LYS A 46 24.476 4.492 -8.213 1.00 1.35 C ATOM 678 C LYS A 46 24.685 5.525 -9.322 1.00 64.53 C ATOM 679 O LYS A 46 25.107 6.649 -9.057 1.00 41.23 O ATOM 680 CB LYS A 46 23.085 3.856 -8.219 1.00 71.53 C ATOM 681 CG LYS A 46 22.063 4.763 -7.532 1.00 1.35 C ATOM 682 CD LYS A 46 21.878 6.068 -8.309 1.00 10.02 C ATOM 683 CE LYS A 46 22.453 7.255 -7.533 1.00 32.32 C ATOM 684 NZ LYS A 46 21.765 8.508 -7.917 1.00 72.51 N ATOM 0 H LYS A 46 24.105 5.859 -6.668 1.00 51.42 H new ATOM 0 HA LYS A 46 25.175 3.677 -8.400 1.00 1.35 H new ATOM 0 HB2 LYS A 46 22.774 3.664 -9.246 1.00 71.53 H new ATOM 0 HB3 LYS A 46 23.120 2.892 -7.711 1.00 71.53 H new ATOM 0 HG2 LYS A 46 21.107 4.245 -7.452 1.00 1.35 H new ATOM 0 HG3 LYS A 46 22.392 4.984 -6.517 1.00 1.35 H new ATOM 0 HD2 LYS A 46 22.369 5.991 -9.279 1.00 10.02 H new ATOM 0 HD3 LYS A 46 20.818 6.234 -8.501 1.00 10.02 H new ATOM 0 HE2 LYS A 46 22.341 7.085 -6.462 1.00 32.32 H new ATOM 0 HE3 LYS A 46 23.521 7.344 -7.732 1.00 32.32 H new ATOM 0 HZ1 LYS A 46 22.457 9.283 -7.968 1.00 72.51 H new ATOM 0 HZ2 LYS A 46 21.314 8.386 -8.846 1.00 72.51 H new ATOM 0 HZ3 LYS A 46 21.040 8.737 -7.207 1.00 72.51 H new ATOM 697 N LYS A 47 24.381 5.105 -10.542 1.00 10.24 N ATOM 698 CA LYS A 47 24.530 5.979 -11.693 1.00 5.33 C ATOM 699 C LYS A 47 23.152 6.267 -12.292 1.00 3.14 C ATOM 700 O LYS A 47 23.034 7.032 -13.247 1.00 43.24 O ATOM 701 CB LYS A 47 25.523 5.383 -12.693 1.00 3.33 C ATOM 702 CG LYS A 47 24.801 4.540 -13.745 1.00 64.44 C ATOM 703 CD LYS A 47 24.593 3.107 -13.251 1.00 31.21 C ATOM 704 CE LYS A 47 25.933 2.415 -12.993 1.00 1.30 C ATOM 705 NZ LYS A 47 25.773 0.944 -13.032 1.00 3.52 N ATOM 0 H LYS A 47 24.032 4.171 -10.758 1.00 10.24 H new ATOM 0 HA LYS A 47 24.953 6.937 -11.391 1.00 5.33 H new ATOM 0 HB2 LYS A 47 26.078 6.184 -13.182 1.00 3.33 H new ATOM 0 HB3 LYS A 47 26.251 4.767 -12.165 1.00 3.33 H new ATOM 0 HG2 LYS A 47 23.837 4.991 -13.979 1.00 64.44 H new ATOM 0 HG3 LYS A 47 25.380 4.530 -14.668 1.00 64.44 H new ATOM 0 HD2 LYS A 47 24.003 3.117 -12.335 1.00 31.21 H new ATOM 0 HD3 LYS A 47 24.025 2.543 -13.990 1.00 31.21 H new ATOM 0 HE2 LYS A 47 26.661 2.728 -13.742 1.00 1.30 H new ATOM 0 HE3 LYS A 47 26.325 2.718 -12.022 1.00 1.30 H new ATOM 0 HZ1 LYS A 47 26.692 0.490 -12.855 1.00 3.52 H new ATOM 0 HZ2 LYS A 47 25.095 0.649 -12.301 1.00 3.52 H new ATOM 0 HZ3 LYS A 47 25.420 0.658 -13.967 1.00 3.52 H new ATOM 718 N TYR A 48 22.144 5.638 -11.705 1.00 4.54 N ATOM 719 CA TYR A 48 20.779 5.817 -12.168 1.00 50.42 C ATOM 720 C TYR A 48 19.776 5.315 -11.128 1.00 23.34 C ATOM 721 O TYR A 48 19.843 4.163 -10.702 1.00 20.32 O ATOM 722 CB TYR A 48 20.649 4.969 -13.435 1.00 43.41 C ATOM 723 CG TYR A 48 19.984 3.610 -13.209 1.00 11.42 C ATOM 724 CD1 TYR A 48 18.644 3.544 -12.883 1.00 25.45 C ATOM 725 CD2 TYR A 48 20.723 2.451 -13.331 1.00 11.30 C ATOM 726 CE1 TYR A 48 18.018 2.265 -12.670 1.00 22.44 C ATOM 727 CE2 TYR A 48 20.097 1.172 -13.118 1.00 54.30 C ATOM 728 CZ TYR A 48 18.775 1.142 -12.798 1.00 2.01 C ATOM 729 OH TYR A 48 18.184 -0.066 -12.597 1.00 13.02 O ATOM 0 H TYR A 48 22.246 5.004 -10.913 1.00 4.54 H new ATOM 0 HA TYR A 48 20.570 6.872 -12.347 1.00 50.42 H new ATOM 0 HB2 TYR A 48 20.073 5.525 -14.175 1.00 43.41 H new ATOM 0 HB3 TYR A 48 21.641 4.811 -13.857 1.00 43.41 H new ATOM 0 HD1 TYR A 48 18.066 4.451 -12.788 1.00 25.45 H new ATOM 0 HD2 TYR A 48 21.771 2.503 -13.586 1.00 11.30 H new ATOM 0 HE1 TYR A 48 16.971 2.199 -12.414 1.00 22.44 H new ATOM 0 HE2 TYR A 48 20.664 0.257 -13.210 1.00 54.30 H new ATOM 0 HH TYR A 48 18.845 -0.779 -12.723 1.00 13.02 H new ATOM 739 N TYR A 49 18.870 6.204 -10.748 1.00 62.31 N ATOM 740 CA TYR A 49 17.855 5.865 -9.765 1.00 71.34 C ATOM 741 C TYR A 49 16.451 5.990 -10.362 1.00 23.35 C ATOM 742 O TYR A 49 16.297 6.106 -11.576 1.00 61.44 O ATOM 743 CB TYR A 49 18.008 6.882 -8.633 1.00 55.42 C ATOM 744 CG TYR A 49 18.728 6.336 -7.399 1.00 2.51 C ATOM 745 CD1 TYR A 49 18.540 5.025 -7.014 1.00 31.53 C ATOM 746 CD2 TYR A 49 19.566 7.156 -6.671 1.00 25.24 C ATOM 747 CE1 TYR A 49 19.218 4.511 -5.852 1.00 62.30 C ATOM 748 CE2 TYR A 49 20.245 6.642 -5.509 1.00 13.11 C ATOM 749 CZ TYR A 49 20.037 5.345 -5.157 1.00 21.20 C ATOM 750 OH TYR A 49 20.678 4.860 -4.060 1.00 33.42 O ATOM 0 H TYR A 49 18.818 7.159 -11.103 1.00 62.31 H new ATOM 0 HA TYR A 49 17.979 4.838 -9.423 1.00 71.34 H new ATOM 0 HB2 TYR A 49 18.555 7.747 -9.007 1.00 55.42 H new ATOM 0 HB3 TYR A 49 17.019 7.234 -8.338 1.00 55.42 H new ATOM 0 HD1 TYR A 49 17.884 4.384 -7.584 1.00 31.53 H new ATOM 0 HD2 TYR A 49 19.713 8.183 -6.972 1.00 25.24 H new ATOM 0 HE1 TYR A 49 19.079 3.487 -5.540 1.00 62.30 H new ATOM 0 HE2 TYR A 49 20.904 7.272 -4.931 1.00 13.11 H new ATOM 0 HH TYR A 49 21.230 5.567 -3.664 1.00 33.42 H new ATOM 760 N LEU A 50 15.464 5.962 -9.479 1.00 34.20 N ATOM 761 CA LEU A 50 14.078 6.071 -9.903 1.00 30.52 C ATOM 762 C LEU A 50 13.372 7.131 -9.055 1.00 74.52 C ATOM 763 O LEU A 50 13.954 7.667 -8.114 1.00 50.21 O ATOM 764 CB LEU A 50 13.398 4.701 -9.867 1.00 34.43 C ATOM 765 CG LEU A 50 13.823 3.712 -10.954 1.00 32.30 C ATOM 766 CD1 LEU A 50 14.142 2.341 -10.354 1.00 72.10 C ATOM 767 CD2 LEU A 50 12.767 3.623 -12.058 1.00 32.45 C ATOM 0 H LEU A 50 15.596 5.865 -8.472 1.00 34.20 H new ATOM 0 HA LEU A 50 14.021 6.402 -10.940 1.00 30.52 H new ATOM 0 HB2 LEU A 50 13.591 4.247 -8.895 1.00 34.43 H new ATOM 0 HB3 LEU A 50 12.321 4.850 -9.941 1.00 34.43 H new ATOM 0 HG LEU A 50 14.739 4.083 -11.414 1.00 32.30 H new ATOM 0 HD11 LEU A 50 14.441 1.657 -11.148 1.00 72.10 H new ATOM 0 HD12 LEU A 50 14.955 2.439 -9.634 1.00 72.10 H new ATOM 0 HD13 LEU A 50 13.258 1.949 -9.852 1.00 72.10 H new ATOM 0 HD21 LEU A 50 13.094 2.913 -12.818 1.00 32.45 H new ATOM 0 HD22 LEU A 50 11.822 3.288 -11.631 1.00 32.45 H new ATOM 0 HD23 LEU A 50 12.632 4.605 -12.512 1.00 32.45 H new ATOM 779 N PHE A 51 12.127 7.400 -9.420 1.00 13.44 N ATOM 780 CA PHE A 51 11.335 8.387 -8.704 1.00 73.34 C ATOM 781 C PHE A 51 9.850 8.254 -9.051 1.00 23.32 C ATOM 782 O PHE A 51 9.434 8.595 -10.157 1.00 4.11 O ATOM 783 CB PHE A 51 11.829 9.765 -9.149 1.00 74.32 C ATOM 784 CG PHE A 51 12.860 10.390 -8.208 1.00 65.50 C ATOM 785 CD1 PHE A 51 12.468 10.896 -7.008 1.00 60.43 C ATOM 786 CD2 PHE A 51 14.170 10.439 -8.571 1.00 62.32 C ATOM 787 CE1 PHE A 51 13.426 11.475 -6.135 1.00 13.43 C ATOM 788 CE2 PHE A 51 15.128 11.019 -7.698 1.00 31.53 C ATOM 789 CZ PHE A 51 14.735 11.525 -6.498 1.00 25.41 C ATOM 0 H PHE A 51 11.647 6.953 -10.201 1.00 13.44 H new ATOM 0 HA PHE A 51 11.444 8.243 -7.629 1.00 73.34 H new ATOM 0 HB2 PHE A 51 12.265 9.679 -10.144 1.00 74.32 H new ATOM 0 HB3 PHE A 51 10.974 10.436 -9.233 1.00 74.32 H new ATOM 0 HD1 PHE A 51 11.428 10.857 -6.719 1.00 60.43 H new ATOM 0 HD2 PHE A 51 14.482 10.037 -9.524 1.00 62.32 H new ATOM 0 HE1 PHE A 51 13.115 11.876 -5.182 1.00 13.43 H new ATOM 0 HE2 PHE A 51 16.168 11.058 -7.987 1.00 31.53 H new ATOM 0 HZ PHE A 51 15.463 11.966 -5.834 1.00 25.41 H new ATOM 799 N GLY A 52 9.092 7.757 -8.085 1.00 22.25 N ATOM 800 CA GLY A 52 7.663 7.575 -8.273 1.00 61.44 C ATOM 801 C GLY A 52 6.944 7.449 -6.929 1.00 12.53 C ATOM 802 O GLY A 52 6.693 8.451 -6.260 1.00 33.55 O ATOM 0 H GLY A 52 9.441 7.475 -7.169 1.00 22.25 H new ATOM 0 HA2 GLY A 52 7.256 8.419 -8.829 1.00 61.44 H new ATOM 0 HA3 GLY A 52 7.482 6.682 -8.871 1.00 61.44 H new ATOM 806 N ARG A 53 6.633 6.212 -6.573 1.00 73.32 N ATOM 807 CA ARG A 53 5.947 5.943 -5.320 1.00 63.35 C ATOM 808 C ARG A 53 6.194 4.498 -4.880 1.00 54.31 C ATOM 809 O ARG A 53 6.421 4.235 -3.700 1.00 52.52 O ATOM 810 CB ARG A 53 4.442 6.178 -5.455 1.00 35.10 C ATOM 811 CG ARG A 53 4.115 6.908 -6.760 1.00 31.44 C ATOM 812 CD ARG A 53 2.605 7.103 -6.916 1.00 24.43 C ATOM 813 NE ARG A 53 1.969 5.827 -7.315 1.00 10.52 N ATOM 814 CZ ARG A 53 0.655 5.692 -7.592 1.00 33.32 C ATOM 815 NH1 ARG A 53 -0.175 6.754 -7.515 1.00 60.02 N ATOM 816 NH2 ARG A 53 0.193 4.505 -7.939 1.00 31.24 N ATOM 0 H ARG A 53 6.843 5.384 -7.130 1.00 73.32 H new ATOM 0 HA ARG A 53 6.344 6.628 -4.570 1.00 63.35 H new ATOM 0 HB2 ARG A 53 3.917 5.223 -5.427 1.00 35.10 H new ATOM 0 HB3 ARG A 53 4.084 6.763 -4.608 1.00 35.10 H new ATOM 0 HG2 ARG A 53 4.614 7.877 -6.774 1.00 31.44 H new ATOM 0 HG3 ARG A 53 4.501 6.339 -7.606 1.00 31.44 H new ATOM 0 HD2 ARG A 53 2.176 7.455 -5.978 1.00 24.43 H new ATOM 0 HD3 ARG A 53 2.404 7.869 -7.665 1.00 24.43 H new ATOM 0 HE ARG A 53 2.560 4.999 -7.385 1.00 10.52 H new ATOM 0 HH11 ARG A 53 0.190 7.668 -7.246 1.00 60.02 H new ATOM 0 HH12 ARG A 53 -1.167 6.643 -7.726 1.00 60.02 H new ATOM 0 HH21 ARG A 53 0.826 3.707 -7.994 1.00 31.24 H new ATOM 0 HH22 ARG A 53 -0.797 4.385 -8.152 1.00 31.24 H new ATOM 829 N ASN A 54 6.140 3.600 -5.852 1.00 62.33 N ATOM 830 CA ASN A 54 6.355 2.189 -5.580 1.00 33.43 C ATOM 831 C ASN A 54 7.857 1.913 -5.494 1.00 21.14 C ATOM 832 O ASN A 54 8.566 1.998 -6.495 1.00 71.23 O ATOM 833 CB ASN A 54 5.777 1.318 -6.697 1.00 65.14 C ATOM 834 CG ASN A 54 4.803 0.280 -6.136 1.00 64.04 C ATOM 835 OD1 ASN A 54 3.645 0.211 -6.513 1.00 32.25 O ATOM 836 ND2 ASN A 54 5.336 -0.521 -5.218 1.00 0.22 N ATOM 0 H ASN A 54 5.950 3.822 -6.829 1.00 62.33 H new ATOM 0 HA ASN A 54 5.857 1.948 -4.641 1.00 33.43 H new ATOM 0 HB2 ASN A 54 5.264 1.947 -7.425 1.00 65.14 H new ATOM 0 HB3 ASN A 54 6.586 0.814 -7.225 1.00 65.14 H new ATOM 0 HD21 ASN A 54 4.768 -1.248 -4.783 1.00 0.22 H new ATOM 0 HD22 ASN A 54 6.313 -0.408 -4.948 1.00 0.22 H new ATOM 843 N PRO A 55 8.310 1.580 -4.255 1.00 63.34 N ATOM 844 CA PRO A 55 9.716 1.291 -4.025 1.00 74.14 C ATOM 845 C PRO A 55 10.088 -0.089 -4.571 1.00 64.01 C ATOM 846 O PRO A 55 11.258 -0.360 -4.837 1.00 43.14 O ATOM 847 CB PRO A 55 9.899 1.404 -2.521 1.00 4.31 C ATOM 848 CG PRO A 55 8.507 1.293 -1.921 1.00 40.43 C ATOM 849 CD PRO A 55 7.500 1.469 -3.046 1.00 51.40 C ATOM 0 HA PRO A 55 10.379 1.982 -4.546 1.00 74.14 H new ATOM 0 HB2 PRO A 55 10.550 0.614 -2.146 1.00 4.31 H new ATOM 0 HB3 PRO A 55 10.364 2.353 -2.255 1.00 4.31 H new ATOM 0 HG2 PRO A 55 8.375 0.324 -1.439 1.00 40.43 H new ATOM 0 HG3 PRO A 55 8.360 2.054 -1.154 1.00 40.43 H new ATOM 0 HD2 PRO A 55 6.818 0.621 -3.103 1.00 51.40 H new ATOM 0 HD3 PRO A 55 6.890 2.359 -2.895 1.00 51.40 H new ATOM 857 N ASP A 56 9.072 -0.925 -4.721 1.00 55.05 N ATOM 858 CA ASP A 56 9.278 -2.270 -5.231 1.00 34.22 C ATOM 859 C ASP A 56 9.922 -2.193 -6.617 1.00 35.14 C ATOM 860 O ASP A 56 10.472 -3.179 -7.105 1.00 10.31 O ATOM 861 CB ASP A 56 7.949 -3.017 -5.368 1.00 3.24 C ATOM 862 CG ASP A 56 8.050 -4.404 -6.004 1.00 60.41 C ATOM 863 OD1 ASP A 56 8.517 -4.552 -7.143 1.00 62.22 O ATOM 864 OD2 ASP A 56 7.618 -5.374 -5.270 1.00 42.53 O ATOM 0 H ASP A 56 8.103 -0.697 -4.498 1.00 55.05 H new ATOM 0 HA ASP A 56 9.920 -2.802 -4.529 1.00 34.22 H new ATOM 0 HB2 ASP A 56 7.503 -3.119 -4.379 1.00 3.24 H new ATOM 0 HB3 ASP A 56 7.268 -2.409 -5.964 1.00 3.24 H new ATOM 870 N LEU A 57 9.831 -1.013 -7.211 1.00 41.51 N ATOM 871 CA LEU A 57 10.398 -0.794 -8.531 1.00 0.10 C ATOM 872 C LEU A 57 11.419 0.343 -8.461 1.00 2.33 C ATOM 873 O LEU A 57 12.549 0.197 -8.925 1.00 0.44 O ATOM 874 CB LEU A 57 9.289 -0.562 -9.559 1.00 13.32 C ATOM 875 CG LEU A 57 7.893 -1.046 -9.160 1.00 40.32 C ATOM 876 CD1 LEU A 57 6.825 -0.459 -10.084 1.00 55.35 C ATOM 877 CD2 LEU A 57 7.835 -2.574 -9.115 1.00 11.12 C ATOM 0 H LEU A 57 9.373 -0.198 -6.803 1.00 41.51 H new ATOM 0 HA LEU A 57 10.932 -1.682 -8.868 1.00 0.10 H new ATOM 0 HB2 LEU A 57 9.235 0.506 -9.771 1.00 13.32 H new ATOM 0 HB3 LEU A 57 9.572 -1.057 -10.488 1.00 13.32 H new ATOM 0 HG LEU A 57 7.681 -0.686 -8.153 1.00 40.32 H new ATOM 0 HD11 LEU A 57 5.842 -0.819 -9.779 1.00 55.35 H new ATOM 0 HD12 LEU A 57 6.849 0.629 -10.022 1.00 55.35 H new ATOM 0 HD13 LEU A 57 7.022 -0.768 -11.110 1.00 55.35 H new ATOM 0 HD21 LEU A 57 6.832 -2.892 -8.829 1.00 11.12 H new ATOM 0 HD22 LEU A 57 8.076 -2.976 -10.099 1.00 11.12 H new ATOM 0 HD23 LEU A 57 8.555 -2.944 -8.385 1.00 11.12 H new ATOM 889 N CYS A 58 10.985 1.451 -7.877 1.00 72.40 N ATOM 890 CA CYS A 58 11.847 2.612 -7.740 1.00 40.11 C ATOM 891 C CYS A 58 12.616 2.487 -6.423 1.00 51.13 C ATOM 892 O CYS A 58 12.248 1.694 -5.558 1.00 72.34 O ATOM 893 CB CYS A 58 11.053 3.918 -7.816 1.00 22.13 C ATOM 894 SG CYS A 58 10.008 3.929 -9.318 1.00 22.21 S ATOM 0 H CYS A 58 10.047 1.569 -7.493 1.00 72.40 H new ATOM 0 HA CYS A 58 12.553 2.644 -8.570 1.00 40.11 H new ATOM 0 HB2 CYS A 58 10.430 4.026 -6.928 1.00 22.13 H new ATOM 0 HB3 CYS A 58 11.736 4.768 -7.832 1.00 22.13 H new ATOM 0 HG CYS A 58 8.765 4.106 -8.981 1.00 22.21 H new ATOM 900 N ASP A 59 13.670 3.282 -6.313 1.00 12.35 N ATOM 901 CA ASP A 59 14.494 3.271 -5.116 1.00 33.53 C ATOM 902 C ASP A 59 13.965 4.312 -4.127 1.00 72.14 C ATOM 903 O ASP A 59 14.044 4.119 -2.915 1.00 70.12 O ATOM 904 CB ASP A 59 15.946 3.624 -5.443 1.00 53.22 C ATOM 905 CG ASP A 59 16.986 3.029 -4.493 1.00 25.21 C ATOM 906 OD1 ASP A 59 17.291 1.828 -4.551 1.00 2.25 O ATOM 907 OD2 ASP A 59 17.500 3.864 -3.654 1.00 60.14 O ATOM 0 H ASP A 59 13.972 3.938 -7.033 1.00 12.35 H new ATOM 0 HA ASP A 59 14.454 2.269 -4.689 1.00 33.53 H new ATOM 0 HB2 ASP A 59 16.167 3.287 -6.456 1.00 53.22 H new ATOM 0 HB3 ASP A 59 16.050 4.709 -5.438 1.00 53.22 H new ATOM 913 N PHE A 60 13.437 5.393 -4.682 1.00 41.13 N ATOM 914 CA PHE A 60 12.895 6.465 -3.865 1.00 3.22 C ATOM 915 C PHE A 60 11.366 6.469 -3.909 1.00 11.11 C ATOM 916 O PHE A 60 10.754 5.530 -4.415 1.00 55.25 O ATOM 917 CB PHE A 60 13.414 7.780 -4.451 1.00 11.05 C ATOM 918 CG PHE A 60 14.811 8.170 -3.963 1.00 14.42 C ATOM 919 CD1 PHE A 60 15.616 7.237 -3.388 1.00 14.21 C ATOM 920 CD2 PHE A 60 15.247 9.451 -4.104 1.00 61.34 C ATOM 921 CE1 PHE A 60 16.912 7.599 -2.935 1.00 51.54 C ATOM 922 CE2 PHE A 60 16.543 9.813 -3.652 1.00 23.01 C ATOM 923 CZ PHE A 60 17.348 8.880 -3.077 1.00 24.20 C ATOM 0 H PHE A 60 13.373 5.549 -5.688 1.00 41.13 H new ATOM 0 HA PHE A 60 13.201 6.333 -2.827 1.00 3.22 H new ATOM 0 HB2 PHE A 60 13.429 7.701 -5.538 1.00 11.05 H new ATOM 0 HB3 PHE A 60 12.716 8.579 -4.199 1.00 11.05 H new ATOM 0 HD1 PHE A 60 15.269 6.220 -3.276 1.00 14.21 H new ATOM 0 HD2 PHE A 60 14.607 10.192 -4.560 1.00 61.34 H new ATOM 0 HE1 PHE A 60 17.551 6.858 -2.478 1.00 51.54 H new ATOM 0 HE2 PHE A 60 16.890 10.830 -3.765 1.00 23.01 H new ATOM 0 HZ PHE A 60 18.334 9.156 -2.733 1.00 24.20 H new ATOM 933 N THR A 61 10.793 7.536 -3.372 1.00 11.04 N ATOM 934 CA THR A 61 9.347 7.674 -3.343 1.00 53.52 C ATOM 935 C THR A 61 8.954 9.152 -3.285 1.00 75.13 C ATOM 936 O THR A 61 9.357 9.870 -2.372 1.00 3.10 O ATOM 937 CB THR A 61 8.817 6.858 -2.163 1.00 73.10 C ATOM 938 OG1 THR A 61 9.804 7.031 -1.150 1.00 72.30 O ATOM 939 CG2 THR A 61 8.827 5.353 -2.440 1.00 51.24 C ATOM 0 H THR A 61 11.304 8.313 -2.953 1.00 11.04 H new ATOM 0 HA THR A 61 8.894 7.285 -4.255 1.00 53.52 H new ATOM 0 HB THR A 61 7.801 7.177 -1.928 1.00 73.10 H new ATOM 0 HG1 THR A 61 9.539 6.536 -0.347 1.00 72.30 H new ATOM 0 HG21 THR A 61 8.441 4.820 -1.571 1.00 51.24 H new ATOM 0 HG22 THR A 61 8.200 5.138 -3.305 1.00 51.24 H new ATOM 0 HG23 THR A 61 9.847 5.027 -2.642 1.00 51.24 H new ATOM 947 N ILE A 62 8.170 9.562 -4.272 1.00 64.12 N ATOM 948 CA ILE A 62 7.718 10.941 -4.345 1.00 60.20 C ATOM 949 C ILE A 62 6.716 11.204 -3.220 1.00 15.33 C ATOM 950 O ILE A 62 6.631 12.319 -2.707 1.00 41.32 O ATOM 951 CB ILE A 62 7.173 11.253 -5.740 1.00 74.21 C ATOM 952 CG1 ILE A 62 8.186 10.875 -6.822 1.00 43.22 C ATOM 953 CG2 ILE A 62 6.741 12.717 -5.845 1.00 75.21 C ATOM 954 CD1 ILE A 62 7.674 11.260 -8.212 1.00 30.14 C ATOM 0 H ILE A 62 7.837 8.963 -5.027 1.00 64.12 H new ATOM 0 HA ILE A 62 8.553 11.625 -4.195 1.00 60.20 H new ATOM 0 HB ILE A 62 6.285 10.643 -5.904 1.00 74.21 H new ATOM 0 HG12 ILE A 62 9.134 11.376 -6.628 1.00 43.22 H new ATOM 0 HG13 ILE A 62 8.379 9.803 -6.786 1.00 43.22 H new ATOM 0 HG21 ILE A 62 6.358 12.912 -6.846 1.00 75.21 H new ATOM 0 HG22 ILE A 62 5.960 12.920 -5.112 1.00 75.21 H new ATOM 0 HG23 ILE A 62 7.597 13.364 -5.652 1.00 75.21 H new ATOM 0 HD11 ILE A 62 8.413 10.980 -8.962 1.00 30.14 H new ATOM 0 HD12 ILE A 62 6.738 10.738 -8.412 1.00 30.14 H new ATOM 0 HD13 ILE A 62 7.505 12.336 -8.252 1.00 30.14 H new ATOM 966 N ASP A 63 5.981 10.159 -2.868 1.00 51.32 N ATOM 967 CA ASP A 63 4.987 10.264 -1.813 1.00 25.21 C ATOM 968 C ASP A 63 3.932 11.297 -2.212 1.00 44.32 C ATOM 969 O ASP A 63 3.843 12.364 -1.607 1.00 2.32 O ATOM 970 CB ASP A 63 5.625 10.722 -0.500 1.00 30.02 C ATOM 971 CG ASP A 63 4.638 11.004 0.634 1.00 13.24 C ATOM 972 OD1 ASP A 63 4.857 11.899 1.464 1.00 2.03 O ATOM 973 OD2 ASP A 63 3.591 10.250 0.647 1.00 62.04 O ATOM 0 H ASP A 63 6.054 9.235 -3.295 1.00 51.32 H new ATOM 0 HA ASP A 63 4.539 9.280 -1.673 1.00 25.21 H new ATOM 0 HB2 ASP A 63 6.327 9.957 -0.168 1.00 30.02 H new ATOM 0 HB3 ASP A 63 6.204 11.626 -0.691 1.00 30.02 H new ATOM 979 N HIS A 64 3.159 10.944 -3.229 1.00 5.42 N ATOM 980 CA HIS A 64 2.114 11.828 -3.716 1.00 50.10 C ATOM 981 C HIS A 64 0.910 10.999 -4.166 1.00 74.22 C ATOM 982 O HIS A 64 0.787 9.829 -3.805 1.00 54.43 O ATOM 983 CB HIS A 64 2.648 12.745 -4.818 1.00 52.13 C ATOM 984 CG HIS A 64 2.135 14.163 -4.739 1.00 4.52 C ATOM 985 ND1 HIS A 64 1.248 14.693 -5.660 1.00 24.21 N ATOM 986 CD2 HIS A 64 2.394 15.155 -3.839 1.00 14.32 C ATOM 987 CE1 HIS A 64 0.992 15.948 -5.320 1.00 62.45 C ATOM 988 NE2 HIS A 64 1.703 16.232 -4.192 1.00 2.51 N ATOM 0 H HIS A 64 3.236 10.058 -3.729 1.00 5.42 H new ATOM 0 HA HIS A 64 1.780 12.482 -2.910 1.00 50.10 H new ATOM 0 HB2 HIS A 64 3.737 12.760 -4.768 1.00 52.13 H new ATOM 0 HB3 HIS A 64 2.379 12.326 -5.788 1.00 52.13 H new ATOM 0 HD1 HIS A 64 0.858 14.201 -6.464 1.00 24.21 H new ATOM 0 HD2 HIS A 64 3.050 15.077 -2.984 1.00 14.32 H new ATOM 0 HE1 HIS A 64 0.335 16.627 -5.844 1.00 62.45 H new ATOM 996 N GLN A 65 0.051 11.637 -4.948 1.00 43.10 N ATOM 997 CA GLN A 65 -1.139 10.973 -5.451 1.00 52.14 C ATOM 998 C GLN A 65 -1.151 10.992 -6.981 1.00 63.13 C ATOM 999 O GLN A 65 -1.573 10.026 -7.614 1.00 71.42 O ATOM 1000 CB GLN A 65 -2.407 11.617 -4.886 1.00 24.23 C ATOM 1001 CG GLN A 65 -2.856 12.796 -5.751 1.00 3.12 C ATOM 1002 CD GLN A 65 -4.041 13.523 -5.114 1.00 15.45 C ATOM 1003 OE1 GLN A 65 -3.893 14.346 -4.225 1.00 14.21 O ATOM 1004 NE2 GLN A 65 -5.223 13.175 -5.615 1.00 41.25 N ATOM 0 H GLN A 65 0.156 12.607 -5.245 1.00 43.10 H new ATOM 0 HA GLN A 65 -1.119 9.935 -5.119 1.00 52.14 H new ATOM 0 HB2 GLN A 65 -3.204 10.875 -4.834 1.00 24.23 H new ATOM 0 HB3 GLN A 65 -2.223 11.958 -3.867 1.00 24.23 H new ATOM 0 HG2 GLN A 65 -2.027 13.491 -5.883 1.00 3.12 H new ATOM 0 HG3 GLN A 65 -3.134 12.439 -6.743 1.00 3.12 H new ATOM 0 HE21 GLN A 65 -5.277 12.479 -6.359 1.00 41.25 H new ATOM 0 HE22 GLN A 65 -6.076 13.604 -5.255 1.00 41.25 H new ATOM 1013 N SER A 66 -0.682 12.102 -7.531 1.00 44.32 N ATOM 1014 CA SER A 66 -0.633 12.260 -8.975 1.00 25.51 C ATOM 1015 C SER A 66 0.546 11.469 -9.548 1.00 35.13 C ATOM 1016 O SER A 66 0.439 10.881 -10.623 1.00 1.20 O ATOM 1017 CB SER A 66 -0.521 13.735 -9.365 1.00 34.23 C ATOM 1018 OG SER A 66 0.085 14.514 -8.337 1.00 42.23 O ATOM 0 H SER A 66 -0.332 12.901 -7.003 1.00 44.32 H new ATOM 0 HA SER A 66 -1.562 11.871 -9.393 1.00 25.51 H new ATOM 0 HB2 SER A 66 0.064 13.825 -10.280 1.00 34.23 H new ATOM 0 HB3 SER A 66 -1.514 14.129 -9.581 1.00 34.23 H new ATOM 0 HG SER A 66 0.140 15.449 -8.625 1.00 42.23 H new ATOM 1024 N CYS A 67 1.642 11.480 -8.804 1.00 12.03 N ATOM 1025 CA CYS A 67 2.839 10.771 -9.224 1.00 54.30 C ATOM 1026 C CYS A 67 2.443 9.343 -9.605 1.00 14.41 C ATOM 1027 O CYS A 67 1.309 8.927 -9.372 1.00 52.05 O ATOM 1028 CB CYS A 67 3.919 10.794 -8.141 1.00 43.41 C ATOM 1029 SG CYS A 67 3.273 10.057 -6.596 1.00 72.22 S ATOM 0 H CYS A 67 1.726 11.969 -7.913 1.00 12.03 H new ATOM 0 HA CYS A 67 3.275 11.269 -10.090 1.00 54.30 H new ATOM 0 HB2 CYS A 67 4.796 10.241 -8.478 1.00 43.41 H new ATOM 0 HB3 CYS A 67 4.240 11.819 -7.958 1.00 43.41 H new ATOM 0 HG CYS A 67 4.199 10.080 -5.684 1.00 72.22 H new ATOM 1035 N SER A 68 3.399 8.632 -10.184 1.00 2.54 N ATOM 1036 CA SER A 68 3.164 7.260 -10.599 1.00 24.01 C ATOM 1037 C SER A 68 4.289 6.358 -10.085 1.00 52.33 C ATOM 1038 O SER A 68 5.361 6.841 -9.724 1.00 13.41 O ATOM 1039 CB SER A 68 3.055 7.156 -12.121 1.00 55.43 C ATOM 1040 OG SER A 68 3.066 5.803 -12.567 1.00 20.35 O ATOM 0 H SER A 68 4.338 8.981 -10.376 1.00 2.54 H new ATOM 0 HA SER A 68 2.217 6.931 -10.171 1.00 24.01 H new ATOM 0 HB2 SER A 68 2.136 7.639 -12.452 1.00 55.43 H new ATOM 0 HB3 SER A 68 3.883 7.696 -12.581 1.00 55.43 H new ATOM 0 HG SER A 68 2.993 5.780 -13.544 1.00 20.35 H new ATOM 1046 N ARG A 69 4.005 5.064 -10.069 1.00 45.23 N ATOM 1047 CA ARG A 69 4.979 4.090 -9.606 1.00 5.50 C ATOM 1048 C ARG A 69 6.390 4.511 -10.024 1.00 21.42 C ATOM 1049 O ARG A 69 7.308 4.518 -9.205 1.00 15.34 O ATOM 1050 CB ARG A 69 4.680 2.700 -10.171 1.00 3.50 C ATOM 1051 CG ARG A 69 3.533 2.034 -9.409 1.00 54.44 C ATOM 1052 CD ARG A 69 2.217 2.159 -10.181 1.00 63.32 C ATOM 1053 NE ARG A 69 1.316 1.039 -9.830 1.00 24.54 N ATOM 1054 CZ ARG A 69 0.011 0.983 -10.168 1.00 34.42 C ATOM 1055 NH1 ARG A 69 -0.559 1.985 -10.871 1.00 24.14 N ATOM 1056 NH2 ARG A 69 -0.701 -0.067 -9.801 1.00 52.20 N ATOM 0 H ARG A 69 3.114 4.667 -10.369 1.00 45.23 H new ATOM 0 HA ARG A 69 4.915 4.048 -8.519 1.00 5.50 H new ATOM 0 HB2 ARG A 69 4.422 2.781 -11.227 1.00 3.50 H new ATOM 0 HB3 ARG A 69 5.573 2.078 -10.108 1.00 3.50 H new ATOM 0 HG2 ARG A 69 3.764 0.982 -9.244 1.00 54.44 H new ATOM 0 HG3 ARG A 69 3.428 2.495 -8.427 1.00 54.44 H new ATOM 0 HD2 ARG A 69 1.737 3.109 -9.947 1.00 63.32 H new ATOM 0 HD3 ARG A 69 2.413 2.156 -11.253 1.00 63.32 H new ATOM 0 HE ARG A 69 1.706 0.260 -9.299 1.00 24.54 H new ATOM 0 HH11 ARG A 69 -0.002 2.793 -11.151 1.00 24.14 H new ATOM 0 HH12 ARG A 69 -1.546 1.934 -11.122 1.00 24.14 H new ATOM 0 HH21 ARG A 69 -0.263 -0.820 -9.270 1.00 52.20 H new ATOM 0 HH22 ARG A 69 -1.689 -0.125 -10.048 1.00 52.20 H new ATOM 1069 N VAL A 70 6.519 4.850 -11.298 1.00 70.31 N ATOM 1070 CA VAL A 70 7.802 5.270 -11.835 1.00 23.14 C ATOM 1071 C VAL A 70 7.635 6.608 -12.556 1.00 52.54 C ATOM 1072 O VAL A 70 7.796 6.686 -13.773 1.00 44.13 O ATOM 1073 CB VAL A 70 8.378 4.174 -12.734 1.00 31.23 C ATOM 1074 CG1 VAL A 70 9.906 4.243 -12.773 1.00 52.21 C ATOM 1075 CG2 VAL A 70 7.903 2.791 -12.284 1.00 62.51 C ATOM 0 H VAL A 70 5.756 4.842 -11.974 1.00 70.31 H new ATOM 0 HA VAL A 70 8.521 5.422 -11.030 1.00 23.14 H new ATOM 0 HB VAL A 70 8.010 4.342 -13.746 1.00 31.23 H new ATOM 0 HG11 VAL A 70 10.290 3.453 -13.419 1.00 52.21 H new ATOM 0 HG12 VAL A 70 10.217 5.213 -13.162 1.00 52.21 H new ATOM 0 HG13 VAL A 70 10.302 4.112 -11.766 1.00 52.21 H new ATOM 0 HG21 VAL A 70 8.326 2.030 -12.939 1.00 62.51 H new ATOM 0 HG22 VAL A 70 8.229 2.610 -11.260 1.00 62.51 H new ATOM 0 HG23 VAL A 70 6.815 2.747 -12.332 1.00 62.51 H new ATOM 1085 N HIS A 71 7.313 7.629 -11.776 1.00 1.35 N ATOM 1086 CA HIS A 71 7.122 8.961 -12.325 1.00 71.20 C ATOM 1087 C HIS A 71 8.278 9.297 -13.269 1.00 1.21 C ATOM 1088 O HIS A 71 8.056 9.714 -14.405 1.00 10.34 O ATOM 1089 CB HIS A 71 6.951 9.991 -11.207 1.00 34.44 C ATOM 1090 CG HIS A 71 6.762 11.406 -11.699 1.00 25.15 C ATOM 1091 ND1 HIS A 71 5.714 12.210 -11.286 1.00 62.20 N ATOM 1092 CD2 HIS A 71 7.500 12.152 -12.571 1.00 34.41 C ATOM 1093 CE1 HIS A 71 5.825 13.384 -11.890 1.00 73.20 C ATOM 1094 NE2 HIS A 71 6.932 13.346 -12.686 1.00 75.43 N ATOM 0 H HIS A 71 7.179 7.561 -10.767 1.00 1.35 H new ATOM 0 HA HIS A 71 6.202 8.989 -12.908 1.00 71.20 H new ATOM 0 HB2 HIS A 71 6.092 9.711 -10.598 1.00 34.44 H new ATOM 0 HB3 HIS A 71 7.826 9.957 -10.558 1.00 34.44 H new ATOM 0 HD2 HIS A 71 8.394 11.826 -13.081 1.00 34.41 H new ATOM 0 HE1 HIS A 71 5.156 14.224 -11.773 1.00 73.20 H new ATOM 0 HE2 HIS A 71 7.268 14.110 -13.273 1.00 75.43 H new ATOM 1103 N ALA A 72 9.488 9.103 -12.764 1.00 15.31 N ATOM 1104 CA ALA A 72 10.679 9.381 -13.548 1.00 22.04 C ATOM 1105 C ALA A 72 11.862 8.607 -12.962 1.00 34.24 C ATOM 1106 O ALA A 72 11.683 7.765 -12.082 1.00 53.34 O ATOM 1107 CB ALA A 72 10.929 10.890 -13.580 1.00 51.10 C ATOM 0 H ALA A 72 9.669 8.757 -11.822 1.00 15.31 H new ATOM 0 HA ALA A 72 10.546 9.051 -14.578 1.00 22.04 H new ATOM 0 HB1 ALA A 72 11.823 11.098 -14.168 1.00 51.10 H new ATOM 0 HB2 ALA A 72 10.073 11.391 -14.031 1.00 51.10 H new ATOM 0 HB3 ALA A 72 11.070 11.257 -12.563 1.00 51.10 H new ATOM 1113 N ALA A 73 13.044 8.919 -13.472 1.00 74.02 N ATOM 1114 CA ALA A 73 14.255 8.263 -13.010 1.00 42.15 C ATOM 1115 C ALA A 73 15.447 9.201 -13.214 1.00 71.32 C ATOM 1116 O ALA A 73 15.499 9.939 -14.196 1.00 42.53 O ATOM 1117 CB ALA A 73 14.428 6.933 -13.746 1.00 33.40 C ATOM 0 H ALA A 73 13.189 9.618 -14.201 1.00 74.02 H new ATOM 0 HA ALA A 73 14.188 8.040 -11.945 1.00 42.15 H new ATOM 0 HB1 ALA A 73 15.337 6.441 -13.399 1.00 33.40 H new ATOM 0 HB2 ALA A 73 13.569 6.292 -13.546 1.00 33.40 H new ATOM 0 HB3 ALA A 73 14.501 7.117 -14.818 1.00 33.40 H new ATOM 1123 N LEU A 74 16.375 9.140 -12.270 1.00 54.33 N ATOM 1124 CA LEU A 74 17.562 9.975 -12.334 1.00 24.11 C ATOM 1125 C LEU A 74 18.706 9.179 -12.966 1.00 41.44 C ATOM 1126 O LEU A 74 18.749 7.955 -12.859 1.00 22.15 O ATOM 1127 CB LEU A 74 17.896 10.538 -10.951 1.00 2.00 C ATOM 1128 CG LEU A 74 19.182 11.362 -10.855 1.00 12.02 C ATOM 1129 CD1 LEU A 74 19.217 12.174 -9.559 1.00 30.25 C ATOM 1130 CD2 LEU A 74 20.417 10.471 -11.007 1.00 14.41 C ATOM 0 H LEU A 74 16.329 8.526 -11.457 1.00 54.33 H new ATOM 0 HA LEU A 74 17.385 10.841 -12.971 1.00 24.11 H new ATOM 0 HB2 LEU A 74 17.064 11.161 -10.623 1.00 2.00 H new ATOM 0 HB3 LEU A 74 17.967 9.707 -10.250 1.00 2.00 H new ATOM 0 HG LEU A 74 19.195 12.073 -11.681 1.00 12.02 H new ATOM 0 HD11 LEU A 74 20.141 12.750 -9.516 1.00 30.25 H new ATOM 0 HD12 LEU A 74 18.364 12.853 -9.532 1.00 30.25 H new ATOM 0 HD13 LEU A 74 19.170 11.498 -8.705 1.00 30.25 H new ATOM 0 HD21 LEU A 74 21.317 11.081 -10.935 1.00 14.41 H new ATOM 0 HD22 LEU A 74 20.423 9.720 -10.217 1.00 14.41 H new ATOM 0 HD23 LEU A 74 20.391 9.976 -11.978 1.00 14.41 H new ATOM 1142 N VAL A 75 19.604 9.908 -13.613 1.00 25.14 N ATOM 1143 CA VAL A 75 20.745 9.286 -14.262 1.00 64.45 C ATOM 1144 C VAL A 75 21.946 10.231 -14.191 1.00 0.31 C ATOM 1145 O VAL A 75 21.876 11.366 -14.660 1.00 15.33 O ATOM 1146 CB VAL A 75 20.380 8.890 -15.695 1.00 4.23 C ATOM 1147 CG1 VAL A 75 21.592 8.314 -16.430 1.00 32.40 C ATOM 1148 CG2 VAL A 75 19.210 7.905 -15.710 1.00 54.41 C ATOM 0 H VAL A 75 19.564 10.923 -13.701 1.00 25.14 H new ATOM 0 HA VAL A 75 21.024 8.368 -13.745 1.00 64.45 H new ATOM 0 HB VAL A 75 20.066 9.791 -16.222 1.00 4.23 H new ATOM 0 HG11 VAL A 75 21.306 8.041 -17.446 1.00 32.40 H new ATOM 0 HG12 VAL A 75 22.385 9.061 -16.465 1.00 32.40 H new ATOM 0 HG13 VAL A 75 21.950 7.429 -15.904 1.00 32.40 H new ATOM 0 HG21 VAL A 75 18.971 7.640 -16.740 1.00 54.41 H new ATOM 0 HG22 VAL A 75 19.484 7.006 -15.158 1.00 54.41 H new ATOM 0 HG23 VAL A 75 18.340 8.366 -15.243 1.00 54.41 H new ATOM 1158 N TYR A 76 23.020 9.729 -13.601 1.00 23.45 N ATOM 1159 CA TYR A 76 24.235 10.514 -13.462 1.00 14.45 C ATOM 1160 C TYR A 76 25.130 10.363 -14.693 1.00 55.33 C ATOM 1161 O TYR A 76 25.761 9.325 -14.883 1.00 32.33 O ATOM 1162 CB TYR A 76 24.966 9.949 -12.242 1.00 74.23 C ATOM 1163 CG TYR A 76 26.156 10.794 -11.783 1.00 74.41 C ATOM 1164 CD1 TYR A 76 25.967 11.815 -10.875 1.00 10.33 C ATOM 1165 CD2 TYR A 76 27.418 10.534 -12.277 1.00 51.13 C ATOM 1166 CE1 TYR A 76 27.087 12.610 -10.442 1.00 40.45 C ATOM 1167 CE2 TYR A 76 28.538 11.329 -11.845 1.00 50.21 C ATOM 1168 CZ TYR A 76 28.317 12.328 -10.949 1.00 42.20 C ATOM 1169 OH TYR A 76 29.375 13.079 -10.541 1.00 1.21 O ATOM 0 H TYR A 76 23.075 8.787 -13.213 1.00 23.45 H new ATOM 0 HA TYR A 76 23.997 11.572 -13.354 1.00 14.45 H new ATOM 0 HB2 TYR A 76 24.259 9.858 -11.418 1.00 74.23 H new ATOM 0 HB3 TYR A 76 25.316 8.943 -12.475 1.00 74.23 H new ATOM 0 HD1 TYR A 76 24.979 12.018 -10.489 1.00 10.33 H new ATOM 0 HD2 TYR A 76 27.566 9.734 -12.988 1.00 51.13 H new ATOM 0 HE1 TYR A 76 26.953 13.412 -9.731 1.00 40.45 H new ATOM 0 HE2 TYR A 76 29.531 11.136 -12.224 1.00 50.21 H new ATOM 0 HH TYR A 76 29.069 13.984 -10.321 1.00 1.21 H new ATOM 1179 N HIS A 77 25.155 11.415 -15.499 1.00 25.30 N ATOM 1180 CA HIS A 77 25.963 11.412 -16.707 1.00 54.03 C ATOM 1181 C HIS A 77 27.419 11.110 -16.351 1.00 5.14 C ATOM 1182 O HIS A 77 27.858 11.380 -15.233 1.00 74.42 O ATOM 1183 CB HIS A 77 25.800 12.727 -17.472 1.00 74.13 C ATOM 1184 CG HIS A 77 25.730 12.560 -18.972 1.00 14.54 C ATOM 1185 ND1 HIS A 77 24.677 12.670 -19.832 1.00 12.40 N flip ATOM 1186 CD2 HIS A 77 26.834 12.242 -19.743 1.00 42.23 C flip ATOM 1187 CE1 HIS A 77 25.115 12.434 -21.063 1.00 73.33 C flip ATOM 1188 NE2 HIS A 77 26.452 12.168 -21.009 1.00 30.43 N flip ATOM 0 H HIS A 77 24.629 12.274 -15.339 1.00 25.30 H new ATOM 0 HA HIS A 77 25.619 10.624 -17.377 1.00 54.03 H new ATOM 0 HB2 HIS A 77 24.893 13.225 -17.129 1.00 74.13 H new ATOM 0 HB3 HIS A 77 26.635 13.383 -17.228 1.00 74.13 H new ATOM 0 HD1 HIS A 77 23.716 12.895 -19.573 1.00 12.40 H new ATOM 0 HD2 HIS A 77 27.837 12.081 -19.375 1.00 42.23 H new ATOM 0 HE1 HIS A 77 24.512 12.450 -21.959 1.00 73.33 H new ATOM 1196 N LYS A 78 28.130 10.555 -17.321 1.00 72.33 N ATOM 1197 CA LYS A 78 29.528 10.213 -17.124 1.00 3.21 C ATOM 1198 C LYS A 78 30.397 11.103 -18.015 1.00 52.04 C ATOM 1199 O LYS A 78 31.427 11.611 -17.576 1.00 1.21 O ATOM 1200 CB LYS A 78 29.751 8.716 -17.346 1.00 73.14 C ATOM 1201 CG LYS A 78 29.789 8.383 -18.839 1.00 52.03 C ATOM 1202 CD LYS A 78 29.593 6.884 -19.072 1.00 32.41 C ATOM 1203 CE LYS A 78 30.912 6.126 -18.907 1.00 12.11 C ATOM 1204 NZ LYS A 78 30.687 4.666 -19.002 1.00 54.40 N ATOM 0 H LYS A 78 27.764 10.333 -18.247 1.00 72.33 H new ATOM 0 HA LYS A 78 29.825 10.406 -16.093 1.00 3.21 H new ATOM 0 HB2 LYS A 78 30.687 8.411 -16.878 1.00 73.14 H new ATOM 0 HB3 LYS A 78 28.954 8.150 -16.864 1.00 73.14 H new ATOM 0 HG2 LYS A 78 29.010 8.940 -19.359 1.00 52.03 H new ATOM 0 HG3 LYS A 78 30.743 8.699 -19.261 1.00 52.03 H new ATOM 0 HD2 LYS A 78 28.856 6.496 -18.368 1.00 32.41 H new ATOM 0 HD3 LYS A 78 29.196 6.717 -20.073 1.00 32.41 H new ATOM 0 HE2 LYS A 78 31.618 6.442 -19.675 1.00 12.11 H new ATOM 0 HE3 LYS A 78 31.360 6.369 -17.943 1.00 12.11 H new ATOM 0 HZ1 LYS A 78 31.592 4.167 -18.888 1.00 54.40 H new ATOM 0 HZ2 LYS A 78 30.030 4.367 -18.254 1.00 54.40 H new ATOM 0 HZ3 LYS A 78 30.280 4.437 -19.931 1.00 54.40 H new ATOM 1217 N HIS A 79 29.949 11.264 -19.252 1.00 11.32 N ATOM 1218 CA HIS A 79 30.672 12.084 -20.209 1.00 23.00 C ATOM 1219 C HIS A 79 30.506 13.562 -19.848 1.00 71.55 C ATOM 1220 O HIS A 79 31.221 14.416 -20.370 1.00 21.14 O ATOM 1221 CB HIS A 79 30.229 11.769 -21.639 1.00 35.12 C ATOM 1222 CG HIS A 79 29.982 10.301 -21.896 1.00 13.40 C ATOM 1223 ND1 HIS A 79 30.986 9.427 -22.275 1.00 53.50 N ATOM 1224 CD2 HIS A 79 28.836 9.564 -21.824 1.00 4.14 C ATOM 1225 CE1 HIS A 79 30.457 8.222 -22.422 1.00 60.43 C ATOM 1226 NE2 HIS A 79 29.125 8.308 -22.143 1.00 12.54 N ATOM 0 H HIS A 79 29.094 10.840 -19.613 1.00 11.32 H new ATOM 0 HA HIS A 79 31.736 11.852 -20.161 1.00 23.00 H new ATOM 0 HB2 HIS A 79 29.316 12.324 -21.856 1.00 35.12 H new ATOM 0 HB3 HIS A 79 30.991 12.125 -22.332 1.00 35.12 H new ATOM 0 HD1 HIS A 79 31.966 9.670 -22.417 1.00 53.50 H new ATOM 0 HD2 HIS A 79 27.860 9.939 -21.554 1.00 4.14 H new ATOM 0 HE1 HIS A 79 30.988 7.327 -22.712 1.00 60.43 H new ATOM 1234 N LEU A 80 29.558 13.817 -18.959 1.00 54.43 N ATOM 1235 CA LEU A 80 29.288 15.177 -18.523 1.00 20.12 C ATOM 1236 C LEU A 80 29.637 15.310 -17.039 1.00 53.11 C ATOM 1237 O LEU A 80 29.971 16.398 -16.572 1.00 21.44 O ATOM 1238 CB LEU A 80 27.847 15.570 -18.854 1.00 32.14 C ATOM 1239 CG LEU A 80 27.431 15.425 -20.319 1.00 65.50 C ATOM 1240 CD1 LEU A 80 25.976 15.849 -20.521 1.00 34.01 C ATOM 1241 CD2 LEU A 80 28.385 16.191 -21.238 1.00 13.42 C ATOM 0 H LEU A 80 28.967 13.106 -18.529 1.00 54.43 H new ATOM 0 HA LEU A 80 29.918 15.883 -19.064 1.00 20.12 H new ATOM 0 HB2 LEU A 80 27.177 14.963 -18.245 1.00 32.14 H new ATOM 0 HB3 LEU A 80 27.697 16.608 -18.555 1.00 32.14 H new ATOM 0 HG LEU A 80 27.499 14.372 -20.591 1.00 65.50 H new ATOM 0 HD11 LEU A 80 25.707 15.736 -21.571 1.00 34.01 H new ATOM 0 HD12 LEU A 80 25.326 15.222 -19.910 1.00 34.01 H new ATOM 0 HD13 LEU A 80 25.856 16.891 -20.226 1.00 34.01 H new ATOM 0 HD21 LEU A 80 28.067 16.072 -22.274 1.00 13.42 H new ATOM 0 HD22 LEU A 80 28.373 17.249 -20.974 1.00 13.42 H new ATOM 0 HD23 LEU A 80 29.395 15.799 -21.121 1.00 13.42 H new ATOM 1253 N LYS A 81 29.547 14.188 -16.340 1.00 14.42 N ATOM 1254 CA LYS A 81 29.848 14.166 -14.919 1.00 4.24 C ATOM 1255 C LYS A 81 28.775 14.950 -14.161 1.00 51.54 C ATOM 1256 O LYS A 81 29.071 15.619 -13.172 1.00 42.03 O ATOM 1257 CB LYS A 81 31.271 14.669 -14.665 1.00 60.10 C ATOM 1258 CG LYS A 81 32.301 13.768 -15.349 1.00 60.13 C ATOM 1259 CD LYS A 81 32.603 14.259 -16.767 1.00 22.34 C ATOM 1260 CE LYS A 81 33.043 15.724 -16.757 1.00 62.03 C ATOM 1261 NZ LYS A 81 33.911 16.012 -17.921 1.00 60.11 N ATOM 0 H LYS A 81 29.270 13.288 -16.731 1.00 14.42 H new ATOM 0 HA LYS A 81 29.823 13.144 -14.541 1.00 4.24 H new ATOM 0 HB2 LYS A 81 31.372 15.689 -15.036 1.00 60.10 H new ATOM 0 HB3 LYS A 81 31.464 14.699 -13.593 1.00 60.10 H new ATOM 0 HG2 LYS A 81 33.220 13.750 -14.763 1.00 60.13 H new ATOM 0 HG3 LYS A 81 31.927 12.745 -15.386 1.00 60.13 H new ATOM 0 HD2 LYS A 81 33.386 13.643 -17.210 1.00 22.34 H new ATOM 0 HD3 LYS A 81 31.717 14.146 -17.391 1.00 22.34 H new ATOM 0 HE2 LYS A 81 32.168 16.373 -16.779 1.00 62.03 H new ATOM 0 HE3 LYS A 81 33.579 15.943 -15.833 1.00 62.03 H new ATOM 0 HZ1 LYS A 81 34.201 17.011 -17.899 1.00 60.11 H new ATOM 0 HZ2 LYS A 81 34.755 15.406 -17.883 1.00 60.11 H new ATOM 0 HZ3 LYS A 81 33.388 15.823 -18.800 1.00 60.11 H new ATOM 1274 N ARG A 82 27.550 14.843 -14.655 1.00 20.42 N ATOM 1275 CA ARG A 82 26.431 15.533 -14.037 1.00 52.41 C ATOM 1276 C ARG A 82 25.271 14.563 -13.805 1.00 53.24 C ATOM 1277 O ARG A 82 25.435 13.351 -13.936 1.00 51.24 O ATOM 1278 CB ARG A 82 25.950 16.694 -14.911 1.00 34.52 C ATOM 1279 CG ARG A 82 26.922 16.951 -16.064 1.00 55.11 C ATOM 1280 CD ARG A 82 26.316 17.915 -17.087 1.00 33.52 C ATOM 1281 NE ARG A 82 27.334 18.895 -17.523 1.00 44.44 N ATOM 1282 CZ ARG A 82 27.754 19.936 -16.773 1.00 14.23 C ATOM 1283 NH1 ARG A 82 27.244 20.141 -15.539 1.00 70.44 N ATOM 1284 NH2 ARG A 82 28.669 20.751 -17.263 1.00 1.02 N ATOM 0 H ARG A 82 27.308 14.289 -15.476 1.00 20.42 H new ATOM 0 HA ARG A 82 26.773 15.930 -13.081 1.00 52.41 H new ATOM 0 HB2 ARG A 82 24.960 16.469 -15.308 1.00 34.52 H new ATOM 0 HB3 ARG A 82 25.853 17.595 -14.305 1.00 34.52 H new ATOM 0 HG2 ARG A 82 27.852 17.365 -15.675 1.00 55.11 H new ATOM 0 HG3 ARG A 82 27.172 16.008 -16.551 1.00 55.11 H new ATOM 0 HD2 ARG A 82 25.943 17.359 -17.947 1.00 33.52 H new ATOM 0 HD3 ARG A 82 25.463 18.434 -16.649 1.00 33.52 H new ATOM 0 HE ARG A 82 27.745 18.777 -18.449 1.00 44.44 H new ATOM 0 HH11 ARG A 82 26.536 19.507 -15.168 1.00 70.44 H new ATOM 0 HH12 ARG A 82 27.566 20.930 -14.978 1.00 70.44 H new ATOM 0 HH21 ARG A 82 29.048 20.590 -18.196 1.00 1.02 H new ATOM 0 HH22 ARG A 82 28.997 21.542 -16.709 1.00 1.02 H new ATOM 1297 N VAL A 83 24.124 15.133 -13.465 1.00 71.31 N ATOM 1298 CA VAL A 83 22.937 14.333 -13.214 1.00 12.21 C ATOM 1299 C VAL A 83 21.872 14.667 -14.260 1.00 73.14 C ATOM 1300 O VAL A 83 21.940 15.709 -14.910 1.00 71.13 O ATOM 1301 CB VAL A 83 22.453 14.551 -11.779 1.00 24.34 C ATOM 1302 CG1 VAL A 83 21.201 13.721 -11.490 1.00 54.24 C ATOM 1303 CG2 VAL A 83 23.563 14.236 -10.773 1.00 12.30 C ATOM 0 H VAL A 83 23.992 16.139 -13.358 1.00 71.31 H new ATOM 0 HA VAL A 83 23.165 13.271 -13.309 1.00 12.21 H new ATOM 0 HB VAL A 83 22.190 15.603 -11.671 1.00 24.34 H new ATOM 0 HG11 VAL A 83 20.878 13.895 -10.463 1.00 54.24 H new ATOM 0 HG12 VAL A 83 20.405 14.013 -12.175 1.00 54.24 H new ATOM 0 HG13 VAL A 83 21.426 12.663 -11.625 1.00 54.24 H new ATOM 0 HG21 VAL A 83 23.193 14.399 -9.761 1.00 12.30 H new ATOM 0 HG22 VAL A 83 23.870 13.196 -10.884 1.00 12.30 H new ATOM 0 HG23 VAL A 83 24.417 14.888 -10.957 1.00 12.30 H new ATOM 1313 N PHE A 84 20.912 13.763 -14.391 1.00 23.52 N ATOM 1314 CA PHE A 84 19.834 13.948 -15.347 1.00 62.23 C ATOM 1315 C PHE A 84 18.519 13.383 -14.807 1.00 71.32 C ATOM 1316 O PHE A 84 18.524 12.480 -13.971 1.00 55.34 O ATOM 1317 CB PHE A 84 20.223 13.182 -16.613 1.00 70.33 C ATOM 1318 CG PHE A 84 21.036 14.006 -17.614 1.00 74.53 C ATOM 1319 CD1 PHE A 84 22.385 14.101 -17.479 1.00 45.11 C ATOM 1320 CD2 PHE A 84 20.408 14.642 -18.639 1.00 50.21 C ATOM 1321 CE1 PHE A 84 23.140 14.866 -18.408 1.00 74.20 C ATOM 1322 CE2 PHE A 84 21.162 15.407 -19.568 1.00 61.11 C ATOM 1323 CZ PHE A 84 22.512 15.503 -19.433 1.00 21.51 C ATOM 0 H PHE A 84 20.859 12.900 -13.850 1.00 23.52 H new ATOM 0 HA PHE A 84 19.688 15.010 -15.543 1.00 62.23 H new ATOM 0 HB2 PHE A 84 20.800 12.301 -16.330 1.00 70.33 H new ATOM 0 HB3 PHE A 84 19.317 12.826 -17.103 1.00 70.33 H new ATOM 0 HD1 PHE A 84 22.883 13.595 -16.665 1.00 45.11 H new ATOM 0 HD2 PHE A 84 19.336 14.565 -18.746 1.00 50.21 H new ATOM 0 HE1 PHE A 84 24.212 14.942 -18.301 1.00 74.20 H new ATOM 0 HE2 PHE A 84 20.663 15.913 -20.382 1.00 61.11 H new ATOM 0 HZ PHE A 84 23.085 16.085 -20.139 1.00 21.51 H new ATOM 1333 N LEU A 85 17.424 13.937 -15.307 1.00 2.22 N ATOM 1334 CA LEU A 85 16.104 13.500 -14.885 1.00 23.11 C ATOM 1335 C LEU A 85 15.288 13.098 -16.115 1.00 33.12 C ATOM 1336 O LEU A 85 14.851 13.955 -16.882 1.00 23.23 O ATOM 1337 CB LEU A 85 15.434 14.573 -14.025 1.00 54.23 C ATOM 1338 CG LEU A 85 14.009 14.266 -13.559 1.00 23.54 C ATOM 1339 CD1 LEU A 85 13.772 12.756 -13.480 1.00 3.22 C ATOM 1340 CD2 LEU A 85 13.704 14.964 -12.232 1.00 23.42 C ATOM 0 H LEU A 85 17.424 14.685 -16.001 1.00 2.22 H new ATOM 0 HA LEU A 85 16.179 12.617 -14.250 1.00 23.11 H new ATOM 0 HB2 LEU A 85 16.054 14.744 -13.145 1.00 54.23 H new ATOM 0 HB3 LEU A 85 15.417 15.505 -14.590 1.00 54.23 H new ATOM 0 HG LEU A 85 13.314 14.663 -14.299 1.00 23.54 H new ATOM 0 HD11 LEU A 85 12.752 12.565 -13.146 1.00 3.22 H new ATOM 0 HD12 LEU A 85 13.921 12.312 -14.464 1.00 3.22 H new ATOM 0 HD13 LEU A 85 14.474 12.314 -12.773 1.00 3.22 H new ATOM 0 HD21 LEU A 85 12.685 14.729 -11.923 1.00 23.42 H new ATOM 0 HD22 LEU A 85 14.403 14.619 -11.470 1.00 23.42 H new ATOM 0 HD23 LEU A 85 13.806 16.042 -12.356 1.00 23.42 H new ATOM 1352 N ILE A 86 15.106 11.794 -16.264 1.00 51.15 N ATOM 1353 CA ILE A 86 14.349 11.268 -17.388 1.00 44.10 C ATOM 1354 C ILE A 86 12.877 11.144 -16.992 1.00 54.24 C ATOM 1355 O ILE A 86 12.512 10.268 -16.210 1.00 10.23 O ATOM 1356 CB ILE A 86 14.966 9.958 -17.882 1.00 73.15 C ATOM 1357 CG1 ILE A 86 16.442 9.864 -17.490 1.00 35.30 C ATOM 1358 CG2 ILE A 86 14.762 9.790 -19.390 1.00 15.45 C ATOM 1359 CD1 ILE A 86 17.191 8.892 -18.404 1.00 40.41 C ATOM 0 H ILE A 86 15.469 11.086 -15.626 1.00 51.15 H new ATOM 0 HA ILE A 86 14.395 11.954 -18.234 1.00 44.10 H new ATOM 0 HB ILE A 86 14.450 9.132 -17.393 1.00 73.15 H new ATOM 0 HG12 ILE A 86 16.901 10.851 -17.548 1.00 35.30 H new ATOM 0 HG13 ILE A 86 16.527 9.534 -16.455 1.00 35.30 H new ATOM 0 HG21 ILE A 86 15.210 8.851 -19.715 1.00 15.45 H new ATOM 0 HG22 ILE A 86 13.695 9.780 -19.614 1.00 15.45 H new ATOM 0 HG23 ILE A 86 15.235 10.619 -19.916 1.00 15.45 H new ATOM 0 HD11 ILE A 86 18.238 8.844 -18.104 1.00 40.41 H new ATOM 0 HD12 ILE A 86 16.745 7.901 -18.325 1.00 40.41 H new ATOM 0 HD13 ILE A 86 17.125 9.238 -19.435 1.00 40.41 H new ATOM 1371 N ASP A 87 12.070 12.034 -17.552 1.00 11.15 N ATOM 1372 CA ASP A 87 10.645 12.035 -17.267 1.00 10.51 C ATOM 1373 C ASP A 87 10.001 10.802 -17.904 1.00 11.41 C ATOM 1374 O ASP A 87 9.407 10.893 -18.977 1.00 35.40 O ATOM 1375 CB ASP A 87 9.968 13.277 -17.850 1.00 50.15 C ATOM 1376 CG ASP A 87 10.782 14.568 -17.743 1.00 12.32 C ATOM 1377 OD1 ASP A 87 11.944 14.556 -17.311 1.00 41.40 O ATOM 1378 OD2 ASP A 87 10.167 15.634 -18.130 1.00 11.21 O ATOM 0 H ASP A 87 12.376 12.759 -18.201 1.00 11.15 H new ATOM 0 HA ASP A 87 10.517 12.029 -16.185 1.00 10.51 H new ATOM 0 HB2 ASP A 87 9.746 13.092 -18.901 1.00 50.15 H new ATOM 0 HB3 ASP A 87 9.014 13.424 -17.343 1.00 50.15 H new ATOM 1384 N LEU A 88 10.141 9.679 -17.216 1.00 20.03 N ATOM 1385 CA LEU A 88 9.580 8.429 -17.701 1.00 3.32 C ATOM 1386 C LEU A 88 8.079 8.607 -17.937 1.00 61.23 C ATOM 1387 O LEU A 88 7.268 8.284 -17.071 1.00 1.45 O ATOM 1388 CB LEU A 88 9.921 7.283 -16.747 1.00 22.05 C ATOM 1389 CG LEU A 88 11.402 7.120 -16.396 1.00 15.13 C ATOM 1390 CD1 LEU A 88 11.648 5.804 -15.656 1.00 30.04 C ATOM 1391 CD2 LEU A 88 12.278 7.249 -17.643 1.00 41.11 C ATOM 0 H LEU A 88 10.635 9.608 -16.326 1.00 20.03 H new ATOM 0 HA LEU A 88 10.024 8.158 -18.659 1.00 3.32 H new ATOM 0 HB2 LEU A 88 9.363 7.428 -15.822 1.00 22.05 H new ATOM 0 HB3 LEU A 88 9.568 6.351 -17.189 1.00 22.05 H new ATOM 0 HG LEU A 88 11.684 7.927 -15.720 1.00 15.13 H new ATOM 0 HD11 LEU A 88 12.708 5.713 -15.418 1.00 30.04 H new ATOM 0 HD12 LEU A 88 11.067 5.791 -14.734 1.00 30.04 H new ATOM 0 HD13 LEU A 88 11.345 4.969 -16.288 1.00 30.04 H new ATOM 0 HD21 LEU A 88 13.325 7.129 -17.366 1.00 41.11 H new ATOM 0 HD22 LEU A 88 12.003 6.478 -18.362 1.00 41.11 H new ATOM 0 HD23 LEU A 88 12.131 8.232 -18.091 1.00 41.11 H new ATOM 1403 N ASN A 89 7.755 9.119 -19.115 1.00 74.03 N ATOM 1404 CA ASN A 89 6.365 9.343 -19.477 1.00 2.21 C ATOM 1405 C ASN A 89 5.572 9.724 -18.225 1.00 61.21 C ATOM 1406 O ASN A 89 4.535 9.128 -17.938 1.00 70.00 O ATOM 1407 CB ASN A 89 5.739 8.078 -20.067 1.00 53.41 C ATOM 1408 CG ASN A 89 6.423 6.823 -19.524 1.00 23.52 C ATOM 1409 OD1 ASN A 89 7.672 6.659 -19.952 1.00 65.13 O flip ATOM 1410 ND2 ASN A 89 5.855 6.053 -18.766 1.00 11.14 N flip ATOM 0 H ASN A 89 8.431 9.385 -19.831 1.00 74.03 H new ATOM 0 HA ASN A 89 6.334 10.140 -20.219 1.00 2.21 H new ATOM 0 HB2 ASN A 89 4.676 8.049 -19.829 1.00 53.41 H new ATOM 0 HB3 ASN A 89 5.821 8.100 -21.154 1.00 53.41 H new ATOM 0 HD21 ASN A 89 4.895 6.238 -18.476 1.00 11.14 H new ATOM 0 HD22 ASN A 89 6.341 5.225 -18.422 1.00 11.14 H new ATOM 1417 N SER A 90 6.090 10.714 -17.514 1.00 2.15 N ATOM 1418 CA SER A 90 5.443 11.181 -16.299 1.00 43.22 C ATOM 1419 C SER A 90 4.008 11.614 -16.604 1.00 51.22 C ATOM 1420 O SER A 90 3.751 12.249 -17.626 1.00 10.11 O ATOM 1421 CB SER A 90 6.224 12.337 -15.669 1.00 74.50 C ATOM 1422 OG SER A 90 5.410 13.119 -14.800 1.00 14.14 O ATOM 0 H SER A 90 6.950 11.206 -17.755 1.00 2.15 H new ATOM 0 HA SER A 90 5.423 10.359 -15.584 1.00 43.22 H new ATOM 0 HB2 SER A 90 7.073 11.940 -15.112 1.00 74.50 H new ATOM 0 HB3 SER A 90 6.629 12.973 -16.456 1.00 74.50 H new ATOM 0 HG SER A 90 5.972 13.752 -14.307 1.00 14.14 H new ATOM 1428 N THR A 91 3.110 11.253 -15.699 1.00 50.33 N ATOM 1429 CA THR A 91 1.707 11.596 -15.859 1.00 1.53 C ATOM 1430 C THR A 91 1.566 12.967 -16.523 1.00 54.32 C ATOM 1431 O THR A 91 0.867 13.106 -17.526 1.00 62.23 O ATOM 1432 CB THR A 91 1.042 11.516 -14.483 1.00 55.34 C ATOM 1433 OG1 THR A 91 0.064 12.553 -14.510 1.00 31.31 O ATOM 1434 CG2 THR A 91 1.986 11.924 -13.351 1.00 42.10 C ATOM 0 H THR A 91 3.327 10.727 -14.853 1.00 50.33 H new ATOM 0 HA THR A 91 1.201 10.895 -16.523 1.00 1.53 H new ATOM 0 HB THR A 91 0.687 10.500 -14.310 1.00 55.34 H new ATOM 0 HG1 THR A 91 -0.416 12.572 -13.656 1.00 31.31 H new ATOM 0 HG21 THR A 91 1.464 11.849 -12.397 1.00 42.10 H new ATOM 0 HG22 THR A 91 2.852 11.263 -13.343 1.00 42.10 H new ATOM 0 HG23 THR A 91 2.316 12.952 -13.505 1.00 42.10 H new ATOM 1442 N HIS A 92 2.240 13.946 -15.937 1.00 73.22 N ATOM 1443 CA HIS A 92 2.198 15.301 -16.460 1.00 30.11 C ATOM 1444 C HIS A 92 3.520 15.622 -17.161 1.00 32.45 C ATOM 1445 O HIS A 92 3.551 15.823 -18.374 1.00 12.14 O ATOM 1446 CB HIS A 92 1.856 16.300 -15.353 1.00 21.13 C ATOM 1447 CG HIS A 92 1.039 15.713 -14.227 1.00 32.23 C ATOM 1448 ND1 HIS A 92 -0.301 16.005 -14.042 1.00 32.04 N ATOM 1449 CD2 HIS A 92 1.385 14.848 -13.231 1.00 25.50 C ATOM 1450 CE1 HIS A 92 -0.731 15.341 -12.979 1.00 31.21 C ATOM 1451 NE2 HIS A 92 0.316 14.624 -12.478 1.00 12.54 N ATOM 0 H HIS A 92 2.818 13.828 -15.105 1.00 73.22 H new ATOM 0 HA HIS A 92 1.404 15.384 -17.202 1.00 30.11 H new ATOM 0 HB2 HIS A 92 2.782 16.704 -14.944 1.00 21.13 H new ATOM 0 HB3 HIS A 92 1.308 17.136 -15.788 1.00 21.13 H new ATOM 0 HD1 HIS A 92 -0.862 16.626 -14.625 1.00 32.04 H new ATOM 0 HD2 HIS A 92 2.364 14.418 -13.081 1.00 25.50 H new ATOM 0 HE1 HIS A 92 -1.734 15.363 -12.579 1.00 31.21 H new ATOM 1459 N GLY A 93 4.580 15.659 -16.366 1.00 54.13 N ATOM 1460 CA GLY A 93 5.901 15.952 -16.895 1.00 20.11 C ATOM 1461 C GLY A 93 6.842 16.429 -15.786 1.00 73.24 C ATOM 1462 O GLY A 93 6.406 16.684 -14.665 1.00 21.23 O ATOM 0 H GLY A 93 4.551 15.491 -15.360 1.00 54.13 H new ATOM 0 HA2 GLY A 93 6.313 15.061 -17.368 1.00 20.11 H new ATOM 0 HA3 GLY A 93 5.826 16.717 -17.667 1.00 20.11 H new ATOM 1466 N THR A 94 8.114 16.535 -16.139 1.00 63.12 N ATOM 1467 CA THR A 94 9.120 16.977 -15.188 1.00 62.32 C ATOM 1468 C THR A 94 9.692 18.332 -15.608 1.00 12.42 C ATOM 1469 O THR A 94 9.665 18.684 -16.786 1.00 73.33 O ATOM 1470 CB THR A 94 10.180 15.879 -15.077 1.00 31.23 C ATOM 1471 OG1 THR A 94 9.430 14.668 -15.112 1.00 30.43 O ATOM 1472 CG2 THR A 94 10.859 15.857 -13.706 1.00 13.24 C ATOM 0 H THR A 94 8.472 16.323 -17.070 1.00 63.12 H new ATOM 0 HA THR A 94 8.688 17.134 -14.200 1.00 62.32 H new ATOM 0 HB THR A 94 10.933 16.021 -15.853 1.00 31.23 H new ATOM 0 HG1 THR A 94 10.040 13.904 -15.047 1.00 30.43 H new ATOM 0 HG21 THR A 94 11.602 15.060 -13.681 1.00 13.24 H new ATOM 0 HG22 THR A 94 11.348 16.815 -13.527 1.00 13.24 H new ATOM 0 HG23 THR A 94 10.111 15.681 -12.933 1.00 13.24 H new ATOM 1480 N PHE A 95 10.196 19.057 -14.620 1.00 52.40 N ATOM 1481 CA PHE A 95 10.773 20.367 -14.872 1.00 30.11 C ATOM 1482 C PHE A 95 12.076 20.551 -14.092 1.00 65.21 C ATOM 1483 O PHE A 95 12.350 19.809 -13.149 1.00 50.44 O ATOM 1484 CB PHE A 95 9.755 21.404 -14.393 1.00 23.14 C ATOM 1485 CG PHE A 95 8.728 21.804 -15.454 1.00 3.43 C ATOM 1486 CD1 PHE A 95 7.831 20.890 -15.911 1.00 1.30 C ATOM 1487 CD2 PHE A 95 8.713 23.075 -15.940 1.00 35.45 C ATOM 1488 CE1 PHE A 95 6.878 21.262 -16.896 1.00 11.13 C ATOM 1489 CE2 PHE A 95 7.759 23.446 -16.924 1.00 44.32 C ATOM 1490 CZ PHE A 95 6.862 22.532 -17.381 1.00 42.35 C ATOM 0 H PHE A 95 10.217 18.762 -13.644 1.00 52.40 H new ATOM 0 HA PHE A 95 10.997 20.477 -15.933 1.00 30.11 H new ATOM 0 HB2 PHE A 95 9.229 21.008 -13.524 1.00 23.14 H new ATOM 0 HB3 PHE A 95 10.288 22.296 -14.063 1.00 23.14 H new ATOM 0 HD1 PHE A 95 7.843 19.881 -15.525 1.00 1.30 H new ATOM 0 HD2 PHE A 95 9.426 23.801 -15.578 1.00 35.45 H new ATOM 0 HE1 PHE A 95 6.166 20.536 -17.260 1.00 11.13 H new ATOM 0 HE2 PHE A 95 7.746 24.455 -17.310 1.00 44.32 H new ATOM 0 HZ PHE A 95 6.137 22.815 -18.129 1.00 42.35 H new ATOM 1500 N LEU A 96 12.846 21.543 -14.514 1.00 43.02 N ATOM 1501 CA LEU A 96 14.114 21.834 -13.867 1.00 65.33 C ATOM 1502 C LEU A 96 14.079 23.255 -13.301 1.00 65.25 C ATOM 1503 O LEU A 96 14.950 24.069 -13.605 1.00 2.15 O ATOM 1504 CB LEU A 96 15.277 21.584 -14.830 1.00 71.41 C ATOM 1505 CG LEU A 96 16.674 21.892 -14.289 1.00 44.30 C ATOM 1506 CD1 LEU A 96 16.851 21.333 -12.876 1.00 61.11 C ATOM 1507 CD2 LEU A 96 17.757 21.387 -15.245 1.00 74.21 C ATOM 0 H LEU A 96 12.616 22.156 -15.296 1.00 43.02 H new ATOM 0 HA LEU A 96 14.276 21.160 -13.026 1.00 65.33 H new ATOM 0 HB2 LEU A 96 15.250 20.538 -15.137 1.00 71.41 H new ATOM 0 HB3 LEU A 96 15.116 22.183 -15.726 1.00 71.41 H new ATOM 0 HG LEU A 96 16.783 22.975 -14.223 1.00 44.30 H new ATOM 0 HD11 LEU A 96 17.853 21.566 -12.515 1.00 61.11 H new ATOM 0 HD12 LEU A 96 16.113 21.782 -12.212 1.00 61.11 H new ATOM 0 HD13 LEU A 96 16.714 20.252 -12.893 1.00 61.11 H new ATOM 0 HD21 LEU A 96 18.740 21.619 -14.836 1.00 74.21 H new ATOM 0 HD22 LEU A 96 17.660 20.308 -15.367 1.00 74.21 H new ATOM 0 HD23 LEU A 96 17.643 21.874 -16.214 1.00 74.21 H new ATOM 1519 N GLY A 97 13.064 23.509 -12.490 1.00 10.45 N ATOM 1520 CA GLY A 97 12.904 24.818 -11.879 1.00 0.04 C ATOM 1521 C GLY A 97 11.950 25.692 -12.695 1.00 74.54 C ATOM 1522 O GLY A 97 10.864 26.034 -12.230 1.00 10.33 O ATOM 0 H GLY A 97 12.344 22.831 -12.241 1.00 10.45 H new ATOM 0 HA2 GLY A 97 12.521 24.705 -10.865 1.00 0.04 H new ATOM 0 HA3 GLY A 97 13.875 25.308 -11.801 1.00 0.04 H new ATOM 1526 N HIS A 98 12.389 26.027 -13.899 1.00 61.45 N ATOM 1527 CA HIS A 98 11.587 26.854 -14.785 1.00 65.44 C ATOM 1528 C HIS A 98 11.607 26.263 -16.197 1.00 22.45 C ATOM 1529 O HIS A 98 11.152 26.898 -17.146 1.00 51.21 O ATOM 1530 CB HIS A 98 12.059 28.308 -14.745 1.00 42.42 C ATOM 1531 CG HIS A 98 13.087 28.650 -15.797 1.00 40.15 C ATOM 1532 ND1 HIS A 98 12.951 28.878 -17.135 1.00 41.43 N flip ATOM 1533 CD2 HIS A 98 14.434 28.789 -15.512 1.00 60.45 C flip ATOM 1534 CE1 HIS A 98 14.150 29.143 -17.640 1.00 54.32 C flip ATOM 1535 NE2 HIS A 98 15.071 29.088 -16.635 1.00 13.11 N flip ATOM 0 H HIS A 98 13.290 25.741 -14.282 1.00 61.45 H new ATOM 0 HA HIS A 98 10.551 26.859 -14.445 1.00 65.44 H new ATOM 0 HB2 HIS A 98 11.196 28.963 -14.869 1.00 42.42 H new ATOM 0 HB3 HIS A 98 12.479 28.516 -13.761 1.00 42.42 H new ATOM 0 HD1 HIS A 98 12.076 28.850 -17.659 1.00 41.43 H new ATOM 0 HD2 HIS A 98 14.889 28.673 -14.539 1.00 60.45 H new ATOM 0 HE1 HIS A 98 14.361 29.365 -18.676 1.00 54.32 H new ATOM 1543 N ILE A 99 12.140 25.053 -16.289 1.00 75.14 N ATOM 1544 CA ILE A 99 12.225 24.369 -17.569 1.00 33.15 C ATOM 1545 C ILE A 99 11.443 23.056 -17.493 1.00 13.01 C ATOM 1546 O ILE A 99 11.168 22.555 -16.404 1.00 25.52 O ATOM 1547 CB ILE A 99 13.686 24.191 -17.985 1.00 2.12 C ATOM 1548 CG1 ILE A 99 14.486 25.473 -17.741 1.00 34.33 C ATOM 1549 CG2 ILE A 99 13.789 23.719 -19.436 1.00 63.15 C ATOM 1550 CD1 ILE A 99 15.983 25.233 -17.946 1.00 74.42 C ATOM 0 H ILE A 99 12.517 24.529 -15.499 1.00 75.14 H new ATOM 0 HA ILE A 99 11.765 24.970 -18.354 1.00 33.15 H new ATOM 0 HB ILE A 99 14.126 23.413 -17.361 1.00 2.12 H new ATOM 0 HG12 ILE A 99 14.143 26.254 -18.419 1.00 34.33 H new ATOM 0 HG13 ILE A 99 14.307 25.830 -16.727 1.00 34.33 H new ATOM 0 HG21 ILE A 99 14.838 23.600 -19.706 1.00 63.15 H new ATOM 0 HG22 ILE A 99 13.276 22.764 -19.545 1.00 63.15 H new ATOM 0 HG23 ILE A 99 13.326 24.456 -20.092 1.00 63.15 H new ATOM 0 HD11 ILE A 99 16.528 26.160 -17.766 1.00 74.42 H new ATOM 0 HD12 ILE A 99 16.328 24.469 -17.250 1.00 74.42 H new ATOM 0 HD13 ILE A 99 16.161 24.899 -18.968 1.00 74.42 H new ATOM 1562 N ARG A 100 11.106 22.537 -18.664 1.00 73.24 N ATOM 1563 CA ARG A 100 10.361 21.292 -18.745 1.00 33.13 C ATOM 1564 C ARG A 100 11.136 20.262 -19.569 1.00 33.33 C ATOM 1565 O ARG A 100 11.858 20.621 -20.497 1.00 64.30 O ATOM 1566 CB ARG A 100 8.986 21.513 -19.379 1.00 62.43 C ATOM 1567 CG ARG A 100 9.090 21.575 -20.904 1.00 41.45 C ATOM 1568 CD ARG A 100 8.814 20.206 -21.530 1.00 4.43 C ATOM 1569 NE ARG A 100 7.510 19.689 -21.059 1.00 62.41 N ATOM 1570 CZ ARG A 100 6.332 19.939 -21.669 1.00 20.51 C ATOM 1571 NH1 ARG A 100 6.285 20.703 -22.781 1.00 35.23 N ATOM 1572 NH2 ARG A 100 5.227 19.425 -21.162 1.00 21.44 N ATOM 0 H ARG A 100 11.335 22.956 -19.565 1.00 73.24 H new ATOM 0 HA ARG A 100 10.224 20.921 -17.729 1.00 33.13 H new ATOM 0 HB2 ARG A 100 8.314 20.705 -19.089 1.00 62.43 H new ATOM 0 HB3 ARG A 100 8.552 22.439 -19.002 1.00 62.43 H new ATOM 0 HG2 ARG A 100 8.379 22.305 -21.291 1.00 41.45 H new ATOM 0 HG3 ARG A 100 10.085 21.916 -21.190 1.00 41.45 H new ATOM 0 HD2 ARG A 100 8.811 20.288 -22.617 1.00 4.43 H new ATOM 0 HD3 ARG A 100 9.609 19.509 -21.265 1.00 4.43 H new ATOM 0 HE ARG A 100 7.501 19.107 -20.221 1.00 62.41 H new ATOM 0 HH11 ARG A 100 7.144 21.096 -23.166 1.00 35.23 H new ATOM 0 HH12 ARG A 100 5.391 20.887 -23.236 1.00 35.23 H new ATOM 0 HH21 ARG A 100 5.271 18.849 -20.322 1.00 21.44 H new ATOM 0 HH22 ARG A 100 4.329 19.604 -21.611 1.00 21.44 H new ATOM 1585 N LEU A 101 10.959 19.002 -19.199 1.00 71.44 N ATOM 1586 CA LEU A 101 11.633 17.917 -19.893 1.00 33.11 C ATOM 1587 C LEU A 101 10.596 17.065 -20.628 1.00 14.14 C ATOM 1588 O LEU A 101 9.410 17.109 -20.305 1.00 14.22 O ATOM 1589 CB LEU A 101 12.506 17.120 -18.921 1.00 52.42 C ATOM 1590 CG LEU A 101 12.544 17.632 -17.480 1.00 10.22 C ATOM 1591 CD1 LEU A 101 13.410 16.729 -16.600 1.00 30.40 C ATOM 1592 CD2 LEU A 101 13.001 19.091 -17.428 1.00 2.30 C ATOM 0 H LEU A 101 10.359 18.708 -18.428 1.00 71.44 H new ATOM 0 HA LEU A 101 12.314 18.312 -20.647 1.00 33.11 H new ATOM 0 HB2 LEU A 101 12.154 16.088 -18.910 1.00 52.42 H new ATOM 0 HB3 LEU A 101 13.525 17.105 -19.307 1.00 52.42 H new ATOM 0 HG LEU A 101 11.531 17.597 -17.079 1.00 10.22 H new ATOM 0 HD11 LEU A 101 13.420 17.115 -15.581 1.00 30.40 H new ATOM 0 HD12 LEU A 101 13.000 15.719 -16.601 1.00 30.40 H new ATOM 0 HD13 LEU A 101 14.428 16.708 -16.990 1.00 30.40 H new ATOM 0 HD21 LEU A 101 13.019 19.430 -16.392 1.00 2.30 H new ATOM 0 HD22 LEU A 101 14.001 19.175 -17.855 1.00 2.30 H new ATOM 0 HD23 LEU A 101 12.309 19.710 -18.000 1.00 2.30 H new ATOM 1604 N GLU A 102 11.081 16.310 -21.602 1.00 34.50 N ATOM 1605 CA GLU A 102 10.210 15.449 -22.385 1.00 65.22 C ATOM 1606 C GLU A 102 10.006 14.110 -21.672 1.00 44.45 C ATOM 1607 O GLU A 102 10.831 13.707 -20.853 1.00 53.24 O ATOM 1608 CB GLU A 102 10.770 15.240 -23.794 1.00 15.10 C ATOM 1609 CG GLU A 102 11.160 16.575 -24.432 1.00 72.34 C ATOM 1610 CD GLU A 102 10.934 16.545 -25.945 1.00 45.35 C ATOM 1611 OE1 GLU A 102 9.931 15.986 -26.412 1.00 70.11 O ATOM 1612 OE2 GLU A 102 11.847 17.132 -26.644 1.00 33.10 O ATOM 0 H GLU A 102 12.065 16.276 -21.867 1.00 34.50 H new ATOM 0 HA GLU A 102 9.240 15.937 -22.483 1.00 65.22 H new ATOM 0 HB2 GLU A 102 11.641 14.586 -23.750 1.00 15.10 H new ATOM 0 HB3 GLU A 102 10.026 14.740 -24.414 1.00 15.10 H new ATOM 0 HG2 GLU A 102 10.573 17.379 -23.989 1.00 72.34 H new ATOM 0 HG3 GLU A 102 12.207 16.791 -24.221 1.00 72.34 H new ATOM 1620 N PRO A 103 8.874 13.441 -22.019 1.00 42.41 N ATOM 1621 CA PRO A 103 8.551 12.157 -21.422 1.00 23.14 C ATOM 1622 C PRO A 103 9.427 11.046 -22.004 1.00 25.34 C ATOM 1623 O PRO A 103 8.916 10.047 -22.508 1.00 42.33 O ATOM 1624 CB PRO A 103 7.071 11.954 -21.701 1.00 1.00 C ATOM 1625 CG PRO A 103 6.728 12.903 -22.838 1.00 73.51 C ATOM 1626 CD PRO A 103 7.875 13.888 -22.985 1.00 41.43 C ATOM 0 HA PRO A 103 8.748 12.130 -20.350 1.00 23.14 H new ATOM 0 HB2 PRO A 103 6.864 10.921 -21.979 1.00 1.00 H new ATOM 0 HB3 PRO A 103 6.473 12.172 -20.816 1.00 1.00 H new ATOM 0 HG2 PRO A 103 6.579 12.350 -23.765 1.00 73.51 H new ATOM 0 HG3 PRO A 103 5.797 13.430 -22.628 1.00 73.51 H new ATOM 0 HD2 PRO A 103 8.274 13.882 -23.999 1.00 41.43 H new ATOM 0 HD3 PRO A 103 7.551 14.907 -22.776 1.00 41.43 H new ATOM 1634 N HIS A 104 10.732 11.257 -21.914 1.00 24.44 N ATOM 1635 CA HIS A 104 11.684 10.285 -22.425 1.00 5.23 C ATOM 1636 C HIS A 104 13.073 10.922 -22.506 1.00 64.31 C ATOM 1637 O HIS A 104 14.069 10.298 -22.141 1.00 74.32 O ATOM 1638 CB HIS A 104 11.214 9.716 -23.765 1.00 14.24 C ATOM 1639 CG HIS A 104 10.557 8.360 -23.659 1.00 42.23 C ATOM 1640 ND1 HIS A 104 11.188 7.263 -23.099 1.00 44.25 N ATOM 1641 CD2 HIS A 104 9.320 7.936 -24.047 1.00 11.53 C ATOM 1642 CE1 HIS A 104 10.360 6.231 -23.154 1.00 34.03 C ATOM 1643 NE2 HIS A 104 9.202 6.650 -23.742 1.00 4.14 N ATOM 0 H HIS A 104 11.152 12.086 -21.495 1.00 24.44 H new ATOM 0 HA HIS A 104 11.749 9.439 -21.740 1.00 5.23 H new ATOM 0 HB2 HIS A 104 10.511 10.415 -24.218 1.00 14.24 H new ATOM 0 HB3 HIS A 104 12.069 9.643 -24.437 1.00 14.24 H new ATOM 0 HD2 HIS A 104 8.564 8.544 -24.522 1.00 11.53 H new ATOM 0 HE1 HIS A 104 10.565 5.233 -22.796 1.00 34.03 H new ATOM 0 HE2 HIS A 104 8.381 6.070 -23.918 1.00 4.14 H new ATOM 1651 N LYS A 105 13.096 12.156 -22.987 1.00 62.00 N ATOM 1652 CA LYS A 105 14.347 12.884 -23.121 1.00 55.00 C ATOM 1653 C LYS A 105 14.825 13.326 -21.737 1.00 23.13 C ATOM 1654 O LYS A 105 14.091 13.987 -21.004 1.00 45.50 O ATOM 1655 CB LYS A 105 14.191 14.037 -24.115 1.00 64.20 C ATOM 1656 CG LYS A 105 13.496 13.567 -25.395 1.00 4.42 C ATOM 1657 CD LYS A 105 13.834 14.486 -26.571 1.00 10.44 C ATOM 1658 CE LYS A 105 12.710 14.484 -27.608 1.00 52.24 C ATOM 1659 NZ LYS A 105 12.953 13.445 -28.634 1.00 30.02 N ATOM 0 H LYS A 105 12.269 12.671 -23.289 1.00 62.00 H new ATOM 0 HA LYS A 105 15.122 12.239 -23.535 1.00 55.00 H new ATOM 0 HB2 LYS A 105 13.614 14.841 -23.658 1.00 64.20 H new ATOM 0 HB3 LYS A 105 15.171 14.447 -24.359 1.00 64.20 H new ATOM 0 HG2 LYS A 105 13.803 12.547 -25.626 1.00 4.42 H new ATOM 0 HG3 LYS A 105 12.417 13.549 -25.242 1.00 4.42 H new ATOM 0 HD2 LYS A 105 13.998 15.501 -26.209 1.00 10.44 H new ATOM 0 HD3 LYS A 105 14.764 14.160 -27.037 1.00 10.44 H new ATOM 0 HE2 LYS A 105 11.754 14.302 -27.117 1.00 52.24 H new ATOM 0 HE3 LYS A 105 12.643 15.463 -28.082 1.00 52.24 H new ATOM 0 HZ1 LYS A 105 12.181 13.457 -29.330 1.00 30.02 H new ATOM 0 HZ2 LYS A 105 13.855 13.636 -29.115 1.00 30.02 H new ATOM 0 HZ3 LYS A 105 12.994 12.511 -28.179 1.00 30.02 H new ATOM 1672 N PRO A 106 16.086 12.932 -21.412 1.00 12.23 N ATOM 1673 CA PRO A 106 16.671 13.281 -20.128 1.00 62.53 C ATOM 1674 C PRO A 106 17.086 14.753 -20.096 1.00 54.02 C ATOM 1675 O PRO A 106 17.353 15.349 -21.138 1.00 43.22 O ATOM 1676 CB PRO A 106 17.845 12.329 -19.960 1.00 53.30 C ATOM 1677 CG PRO A 106 18.156 11.801 -21.351 1.00 41.40 C ATOM 1678 CD PRO A 106 16.984 12.148 -22.254 1.00 71.13 C ATOM 0 HA PRO A 106 15.967 13.175 -19.302 1.00 62.53 H new ATOM 0 HB2 PRO A 106 18.707 12.843 -19.536 1.00 53.30 H new ATOM 0 HB3 PRO A 106 17.593 11.515 -19.280 1.00 53.30 H new ATOM 0 HG2 PRO A 106 19.076 12.246 -21.731 1.00 41.40 H new ATOM 0 HG3 PRO A 106 18.311 10.722 -21.324 1.00 41.40 H new ATOM 0 HD2 PRO A 106 17.310 12.718 -23.124 1.00 71.13 H new ATOM 0 HD3 PRO A 106 16.493 11.250 -22.628 1.00 71.13 H new ATOM 1686 N GLN A 107 17.126 15.297 -18.889 1.00 13.22 N ATOM 1687 CA GLN A 107 17.503 16.689 -18.707 1.00 61.51 C ATOM 1688 C GLN A 107 18.539 16.816 -17.589 1.00 24.33 C ATOM 1689 O GLN A 107 18.228 16.591 -16.420 1.00 54.23 O ATOM 1690 CB GLN A 107 16.276 17.556 -18.419 1.00 44.32 C ATOM 1691 CG GLN A 107 16.679 18.868 -17.743 1.00 4.31 C ATOM 1692 CD GLN A 107 17.762 19.590 -18.548 1.00 22.13 C ATOM 1693 OE1 GLN A 107 18.750 20.082 -17.806 1.00 74.20 O flip ATOM 1694 NE2 GLN A 107 17.705 19.693 -19.762 1.00 0.34 N flip ATOM 0 H GLN A 107 16.904 14.799 -18.027 1.00 13.22 H new ATOM 0 HA GLN A 107 17.951 17.048 -19.633 1.00 61.51 H new ATOM 0 HB2 GLN A 107 15.750 17.769 -19.350 1.00 44.32 H new ATOM 0 HB3 GLN A 107 15.583 17.011 -17.779 1.00 44.32 H new ATOM 0 HG2 GLN A 107 15.806 19.512 -17.642 1.00 4.31 H new ATOM 0 HG3 GLN A 107 17.044 18.665 -16.736 1.00 4.31 H new ATOM 0 HE21 GLN A 107 16.918 19.292 -20.271 1.00 0.34 H new ATOM 0 HE22 GLN A 107 18.445 20.180 -20.268 1.00 0.34 H new ATOM 1703 N GLN A 108 19.751 17.175 -17.986 1.00 40.42 N ATOM 1704 CA GLN A 108 20.835 17.335 -17.032 1.00 1.21 C ATOM 1705 C GLN A 108 20.340 18.069 -15.784 1.00 51.11 C ATOM 1706 O GLN A 108 19.271 18.678 -15.801 1.00 21.43 O ATOM 1707 CB GLN A 108 22.019 18.068 -17.665 1.00 65.12 C ATOM 1708 CG GLN A 108 22.219 19.444 -17.026 1.00 34.53 C ATOM 1709 CD GLN A 108 23.358 20.205 -17.706 1.00 63.41 C ATOM 1710 OE1 GLN A 108 23.451 20.281 -18.920 1.00 74.43 O ATOM 1711 NE2 GLN A 108 24.218 20.762 -16.858 1.00 44.05 N ATOM 0 H GLN A 108 20.006 17.360 -18.956 1.00 40.42 H new ATOM 0 HA GLN A 108 21.180 16.345 -16.735 1.00 1.21 H new ATOM 0 HB2 GLN A 108 22.925 17.473 -17.546 1.00 65.12 H new ATOM 0 HB3 GLN A 108 21.850 18.182 -18.736 1.00 65.12 H new ATOM 0 HG2 GLN A 108 21.297 20.021 -17.100 1.00 34.53 H new ATOM 0 HG3 GLN A 108 22.438 19.327 -15.965 1.00 34.53 H new ATOM 0 HE21 GLN A 108 24.081 20.660 -15.852 1.00 44.05 H new ATOM 0 HE22 GLN A 108 25.014 21.291 -17.213 1.00 44.05 H new ATOM 1720 N ILE A 109 21.141 17.988 -14.732 1.00 32.32 N ATOM 1721 CA ILE A 109 20.797 18.637 -13.478 1.00 24.41 C ATOM 1722 C ILE A 109 22.058 19.246 -12.862 1.00 43.31 C ATOM 1723 O ILE A 109 22.933 18.524 -12.386 1.00 35.02 O ATOM 1724 CB ILE A 109 20.070 17.660 -12.551 1.00 5.31 C ATOM 1725 CG1 ILE A 109 19.045 16.829 -13.325 1.00 42.40 C ATOM 1726 CG2 ILE A 109 19.437 18.396 -11.368 1.00 71.13 C ATOM 1727 CD1 ILE A 109 17.813 17.666 -13.674 1.00 73.02 C ATOM 0 H ILE A 109 22.027 17.483 -14.722 1.00 32.32 H new ATOM 0 HA ILE A 109 20.099 19.456 -13.651 1.00 24.41 H new ATOM 0 HB ILE A 109 20.804 16.965 -12.143 1.00 5.31 H new ATOM 0 HG12 ILE A 109 19.498 16.444 -14.238 1.00 42.40 H new ATOM 0 HG13 ILE A 109 18.746 15.966 -12.729 1.00 42.40 H new ATOM 0 HG21 ILE A 109 18.927 17.679 -10.725 1.00 71.13 H new ATOM 0 HG22 ILE A 109 20.214 18.906 -10.799 1.00 71.13 H new ATOM 0 HG23 ILE A 109 18.719 19.128 -11.737 1.00 71.13 H new ATOM 0 HD11 ILE A 109 17.100 17.052 -14.224 1.00 73.02 H new ATOM 0 HD12 ILE A 109 17.348 18.029 -12.757 1.00 73.02 H new ATOM 0 HD13 ILE A 109 18.112 18.514 -14.290 1.00 73.02 H new ATOM 1739 N PRO A 110 22.114 20.605 -12.892 1.00 73.25 N ATOM 1740 CA PRO A 110 23.253 21.320 -12.343 1.00 70.12 C ATOM 1741 C PRO A 110 23.214 21.321 -10.814 1.00 0.24 C ATOM 1742 O PRO A 110 22.206 20.949 -10.214 1.00 64.34 O ATOM 1743 CB PRO A 110 23.167 22.715 -12.941 1.00 23.13 C ATOM 1744 CG PRO A 110 21.737 22.871 -13.430 1.00 52.44 C ATOM 1745 CD PRO A 110 21.097 21.493 -13.449 1.00 31.25 C ATOM 0 HA PRO A 110 24.205 20.852 -12.594 1.00 70.12 H new ATOM 0 HB2 PRO A 110 23.411 23.474 -12.198 1.00 23.13 H new ATOM 0 HB3 PRO A 110 23.875 22.833 -13.761 1.00 23.13 H new ATOM 0 HG2 PRO A 110 21.181 23.541 -12.775 1.00 52.44 H new ATOM 0 HG3 PRO A 110 21.720 23.313 -14.426 1.00 52.44 H new ATOM 0 HD2 PRO A 110 20.184 21.472 -12.854 1.00 31.25 H new ATOM 0 HD3 PRO A 110 20.824 21.197 -14.462 1.00 31.25 H new ATOM 1753 N ILE A 111 24.323 21.744 -10.226 1.00 4.33 N ATOM 1754 CA ILE A 111 24.429 21.799 -8.777 1.00 53.25 C ATOM 1755 C ILE A 111 23.577 22.957 -8.252 1.00 24.20 C ATOM 1756 O ILE A 111 23.424 23.975 -8.925 1.00 62.21 O ATOM 1757 CB ILE A 111 25.896 21.871 -8.349 1.00 72.03 C ATOM 1758 CG1 ILE A 111 26.743 20.857 -9.121 1.00 75.12 C ATOM 1759 CG2 ILE A 111 26.034 21.699 -6.835 1.00 62.03 C ATOM 1760 CD1 ILE A 111 26.174 19.444 -8.975 1.00 61.12 C ATOM 0 H ILE A 111 25.157 22.052 -10.726 1.00 4.33 H new ATOM 0 HA ILE A 111 24.036 20.885 -8.331 1.00 53.25 H new ATOM 0 HB ILE A 111 26.276 22.862 -8.597 1.00 72.03 H new ATOM 0 HG12 ILE A 111 26.776 21.133 -10.175 1.00 75.12 H new ATOM 0 HG13 ILE A 111 27.769 20.880 -8.753 1.00 75.12 H new ATOM 0 HG21 ILE A 111 27.087 21.754 -6.557 1.00 62.03 H new ATOM 0 HG22 ILE A 111 25.483 22.490 -6.327 1.00 62.03 H new ATOM 0 HG23 ILE A 111 25.631 20.730 -6.541 1.00 62.03 H new ATOM 0 HD11 ILE A 111 26.794 18.743 -9.533 1.00 61.12 H new ATOM 0 HD12 ILE A 111 26.165 19.162 -7.922 1.00 61.12 H new ATOM 0 HD13 ILE A 111 25.157 19.419 -9.366 1.00 61.12 H new ATOM 1772 N ASP A 112 23.046 22.762 -7.054 1.00 52.11 N ATOM 1773 CA ASP A 112 22.214 23.777 -6.431 1.00 12.14 C ATOM 1774 C ASP A 112 21.016 24.075 -7.335 1.00 43.10 C ATOM 1775 O ASP A 112 20.344 25.091 -7.166 1.00 51.11 O ATOM 1776 CB ASP A 112 22.991 25.080 -6.231 1.00 30.32 C ATOM 1777 CG ASP A 112 24.076 25.026 -5.154 1.00 4.52 C ATOM 1778 OD1 ASP A 112 24.264 23.999 -4.486 1.00 74.50 O ATOM 1779 OD2 ASP A 112 24.756 26.114 -5.010 1.00 35.20 O ATOM 0 H ASP A 112 23.176 21.916 -6.498 1.00 52.11 H new ATOM 0 HA ASP A 112 21.890 23.398 -5.462 1.00 12.14 H new ATOM 0 HB2 ASP A 112 23.453 25.359 -7.178 1.00 30.32 H new ATOM 0 HB3 ASP A 112 22.286 25.871 -5.976 1.00 30.32 H new ATOM 1785 N SER A 113 20.786 23.171 -8.275 1.00 62.35 N ATOM 1786 CA SER A 113 19.681 23.324 -9.207 1.00 24.11 C ATOM 1787 C SER A 113 18.352 23.110 -8.481 1.00 74.21 C ATOM 1788 O SER A 113 18.320 22.990 -7.257 1.00 45.13 O ATOM 1789 CB SER A 113 19.810 22.348 -10.379 1.00 13.54 C ATOM 1790 OG SER A 113 18.606 22.264 -11.137 1.00 31.54 O ATOM 0 H SER A 113 21.346 22.329 -8.412 1.00 62.35 H new ATOM 0 HA SER A 113 19.709 24.337 -9.609 1.00 24.11 H new ATOM 0 HB2 SER A 113 20.626 22.666 -11.028 1.00 13.54 H new ATOM 0 HB3 SER A 113 20.070 21.359 -10.001 1.00 13.54 H new ATOM 0 HG SER A 113 18.622 22.935 -11.851 1.00 31.54 H new ATOM 1796 N THR A 114 17.286 23.068 -9.267 1.00 35.04 N ATOM 1797 CA THR A 114 15.956 22.870 -8.714 1.00 42.41 C ATOM 1798 C THR A 114 15.021 22.281 -9.772 1.00 24.41 C ATOM 1799 O THR A 114 14.882 22.835 -10.861 1.00 41.00 O ATOM 1800 CB THR A 114 15.473 24.210 -8.155 1.00 33.11 C ATOM 1801 OG1 THR A 114 16.380 24.491 -7.093 1.00 25.30 O ATOM 1802 CG2 THR A 114 14.113 24.099 -7.463 1.00 34.11 C ATOM 0 H THR A 114 17.316 23.168 -10.282 1.00 35.04 H new ATOM 0 HA THR A 114 15.970 22.147 -7.899 1.00 42.41 H new ATOM 0 HB THR A 114 15.411 24.939 -8.963 1.00 33.11 H new ATOM 0 HG1 THR A 114 16.779 23.655 -6.773 1.00 25.30 H new ATOM 0 HG21 THR A 114 13.816 25.077 -7.084 1.00 34.11 H new ATOM 0 HG22 THR A 114 13.369 23.745 -8.177 1.00 34.11 H new ATOM 0 HG23 THR A 114 14.183 23.395 -6.634 1.00 34.11 H new ATOM 1810 N VAL A 115 14.405 21.164 -9.414 1.00 71.21 N ATOM 1811 CA VAL A 115 13.487 20.493 -10.319 1.00 22.41 C ATOM 1812 C VAL A 115 12.107 20.403 -9.665 1.00 11.22 C ATOM 1813 O VAL A 115 11.991 20.463 -8.442 1.00 33.22 O ATOM 1814 CB VAL A 115 14.050 19.127 -10.717 1.00 31.53 C ATOM 1815 CG1 VAL A 115 15.451 18.921 -10.137 1.00 33.31 C ATOM 1816 CG2 VAL A 115 13.108 18.000 -10.288 1.00 72.30 C ATOM 0 H VAL A 115 14.523 20.707 -8.510 1.00 71.21 H new ATOM 0 HA VAL A 115 13.373 21.064 -11.240 1.00 22.41 H new ATOM 0 HB VAL A 115 14.130 19.101 -11.804 1.00 31.53 H new ATOM 0 HG11 VAL A 115 15.828 17.943 -10.435 1.00 33.31 H new ATOM 0 HG12 VAL A 115 16.118 19.697 -10.513 1.00 33.31 H new ATOM 0 HG13 VAL A 115 15.406 18.977 -9.049 1.00 33.31 H new ATOM 0 HG21 VAL A 115 13.531 17.040 -10.583 1.00 72.30 H new ATOM 0 HG22 VAL A 115 12.981 18.024 -9.206 1.00 72.30 H new ATOM 0 HG23 VAL A 115 12.139 18.132 -10.770 1.00 72.30 H new ATOM 1826 N SER A 116 11.095 20.262 -10.509 1.00 25.32 N ATOM 1827 CA SER A 116 9.728 20.164 -10.028 1.00 72.51 C ATOM 1828 C SER A 116 8.932 19.198 -10.908 1.00 72.23 C ATOM 1829 O SER A 116 8.696 19.474 -12.083 1.00 40.14 O ATOM 1830 CB SER A 116 9.053 21.537 -10.002 1.00 23.51 C ATOM 1831 OG SER A 116 8.516 21.892 -11.273 1.00 72.51 O ATOM 0 H SER A 116 11.195 20.213 -11.523 1.00 25.32 H new ATOM 0 HA SER A 116 9.751 19.781 -9.008 1.00 72.51 H new ATOM 0 HB2 SER A 116 8.255 21.535 -9.259 1.00 23.51 H new ATOM 0 HB3 SER A 116 9.776 22.291 -9.691 1.00 23.51 H new ATOM 0 HG SER A 116 8.127 21.099 -11.697 1.00 72.51 H new ATOM 1837 N PHE A 117 8.540 18.085 -10.306 1.00 33.12 N ATOM 1838 CA PHE A 117 7.775 17.077 -11.020 1.00 62.41 C ATOM 1839 C PHE A 117 6.323 17.520 -11.208 1.00 10.44 C ATOM 1840 O PHE A 117 5.822 18.353 -10.453 1.00 42.13 O ATOM 1841 CB PHE A 117 7.802 15.807 -10.166 1.00 52.25 C ATOM 1842 CG PHE A 117 9.110 15.020 -10.263 1.00 70.54 C ATOM 1843 CD1 PHE A 117 10.302 15.664 -10.146 1.00 31.35 C ATOM 1844 CD2 PHE A 117 9.081 13.675 -10.467 1.00 52.24 C ATOM 1845 CE1 PHE A 117 11.516 14.933 -10.235 1.00 70.44 C ATOM 1846 CE2 PHE A 117 10.295 12.944 -10.557 1.00 52.23 C ATOM 1847 CZ PHE A 117 11.487 13.588 -10.439 1.00 52.34 C ATOM 0 H PHE A 117 8.738 17.859 -9.331 1.00 33.12 H new ATOM 0 HA PHE A 117 8.207 16.913 -12.007 1.00 62.41 H new ATOM 0 HB2 PHE A 117 7.629 16.078 -9.124 1.00 52.25 H new ATOM 0 HB3 PHE A 117 6.978 15.161 -10.468 1.00 52.25 H new ATOM 0 HD1 PHE A 117 10.325 16.732 -9.985 1.00 31.35 H new ATOM 0 HD2 PHE A 117 8.134 13.163 -10.560 1.00 52.24 H new ATOM 0 HE1 PHE A 117 12.462 15.445 -10.141 1.00 70.44 H new ATOM 0 HE2 PHE A 117 10.272 11.876 -10.719 1.00 52.23 H new ATOM 0 HZ PHE A 117 12.410 13.032 -10.507 1.00 52.34 H new ATOM 1922 N ALA A 123 10.683 20.955 -4.988 1.00 74.01 N ATOM 1923 CA ALA A 123 11.741 21.690 -5.659 1.00 4.23 C ATOM 1924 C ALA A 123 13.071 20.963 -5.452 1.00 24.22 C ATOM 1925 O ALA A 123 14.018 21.534 -4.914 1.00 4.35 O ATOM 1926 CB ALA A 123 11.775 23.128 -5.136 1.00 23.43 C ATOM 0 HA ALA A 123 11.555 21.738 -6.732 1.00 4.23 H new ATOM 0 HB1 ALA A 123 12.569 23.680 -5.639 1.00 23.43 H new ATOM 0 HB2 ALA A 123 10.817 23.610 -5.333 1.00 23.43 H new ATOM 0 HB3 ALA A 123 11.963 23.120 -4.062 1.00 23.43 H new ATOM 1932 N TYR A 124 13.100 19.713 -5.890 1.00 62.13 N ATOM 1933 CA TYR A 124 14.299 18.901 -5.760 1.00 15.51 C ATOM 1934 C TYR A 124 15.543 19.693 -6.167 1.00 24.43 C ATOM 1935 O TYR A 124 15.707 20.042 -7.335 1.00 20.13 O ATOM 1936 CB TYR A 124 14.119 17.726 -6.723 1.00 14.14 C ATOM 1937 CG TYR A 124 12.902 16.850 -6.415 1.00 44.40 C ATOM 1938 CD1 TYR A 124 12.150 17.087 -5.283 1.00 1.34 C ATOM 1939 CD2 TYR A 124 12.558 15.823 -7.270 1.00 55.32 C ATOM 1940 CE1 TYR A 124 11.005 16.263 -4.993 1.00 44.01 C ATOM 1941 CE2 TYR A 124 11.413 14.999 -6.981 1.00 12.03 C ATOM 1942 CZ TYR A 124 10.693 15.260 -5.856 1.00 63.44 C ATOM 1943 OH TYR A 124 9.612 14.481 -5.583 1.00 2.10 O ATOM 0 H TYR A 124 12.312 19.242 -6.335 1.00 62.13 H new ATOM 0 HA TYR A 124 14.434 18.578 -4.728 1.00 15.51 H new ATOM 0 HB2 TYR A 124 14.028 18.112 -7.738 1.00 14.14 H new ATOM 0 HB3 TYR A 124 15.016 17.107 -6.696 1.00 14.14 H new ATOM 0 HD1 TYR A 124 12.420 17.891 -4.614 1.00 1.34 H new ATOM 0 HD2 TYR A 124 13.147 15.637 -8.156 1.00 55.32 H new ATOM 0 HE1 TYR A 124 10.408 16.438 -4.110 1.00 44.01 H new ATOM 0 HE2 TYR A 124 11.132 14.192 -7.642 1.00 12.03 H new ATOM 0 HH TYR A 124 8.947 15.006 -5.090 1.00 2.10 H new ATOM 1953 N THR A 125 16.389 19.952 -5.180 1.00 41.04 N ATOM 1954 CA THR A 125 17.614 20.695 -5.421 1.00 2.40 C ATOM 1955 C THR A 125 18.821 19.755 -5.400 1.00 41.42 C ATOM 1956 O THR A 125 19.260 19.326 -4.334 1.00 40.33 O ATOM 1957 CB THR A 125 17.699 21.816 -4.383 1.00 12.02 C ATOM 1958 OG1 THR A 125 16.822 22.821 -4.884 1.00 73.13 O ATOM 1959 CG2 THR A 125 19.070 22.494 -4.364 1.00 2.23 C ATOM 0 H THR A 125 16.250 19.661 -4.212 1.00 41.04 H new ATOM 0 HA THR A 125 17.613 21.149 -6.412 1.00 2.40 H new ATOM 0 HB THR A 125 17.480 21.412 -3.395 1.00 12.02 H new ATOM 0 HG1 THR A 125 15.911 22.464 -4.934 1.00 73.13 H new ATOM 0 HG21 THR A 125 19.076 23.281 -3.610 1.00 2.23 H new ATOM 0 HG22 THR A 125 19.837 21.757 -4.125 1.00 2.23 H new ATOM 0 HG23 THR A 125 19.275 22.927 -5.343 1.00 2.23 H new ATOM 1967 N LEU A 126 19.323 19.463 -6.591 1.00 24.12 N ATOM 1968 CA LEU A 126 20.471 18.582 -6.723 1.00 21.41 C ATOM 1969 C LEU A 126 21.722 19.301 -6.214 1.00 61.33 C ATOM 1970 O LEU A 126 22.182 20.262 -6.828 1.00 2.41 O ATOM 1971 CB LEU A 126 20.595 18.075 -8.161 1.00 71.03 C ATOM 1972 CG LEU A 126 21.875 17.306 -8.494 1.00 3.32 C ATOM 1973 CD1 LEU A 126 23.028 18.266 -8.796 1.00 71.11 C ATOM 1974 CD2 LEU A 126 22.228 16.320 -7.379 1.00 1.14 C ATOM 0 H LEU A 126 18.956 19.821 -7.473 1.00 24.12 H new ATOM 0 HA LEU A 126 20.341 17.693 -6.106 1.00 21.41 H new ATOM 0 HB2 LEU A 126 19.742 17.430 -8.372 1.00 71.03 H new ATOM 0 HB3 LEU A 126 20.523 18.930 -8.834 1.00 71.03 H new ATOM 0 HG LEU A 126 21.697 16.721 -9.397 1.00 3.32 H new ATOM 0 HD11 LEU A 126 23.926 17.694 -9.030 1.00 71.11 H new ATOM 0 HD12 LEU A 126 22.766 18.893 -9.648 1.00 71.11 H new ATOM 0 HD13 LEU A 126 23.215 18.895 -7.926 1.00 71.11 H new ATOM 0 HD21 LEU A 126 23.142 15.787 -7.641 1.00 1.14 H new ATOM 0 HD22 LEU A 126 22.380 16.864 -6.447 1.00 1.14 H new ATOM 0 HD23 LEU A 126 21.414 15.606 -7.254 1.00 1.14 H new ATOM 1986 N ARG A 127 22.237 18.807 -5.098 1.00 61.20 N ATOM 1987 CA ARG A 127 23.426 19.390 -4.500 1.00 51.30 C ATOM 1988 C ARG A 127 24.666 18.584 -4.889 1.00 64.42 C ATOM 1989 O ARG A 127 24.608 17.743 -5.785 1.00 65.13 O ATOM 1990 CB ARG A 127 23.311 19.432 -2.975 1.00 2.31 C ATOM 1991 CG ARG A 127 23.167 20.871 -2.475 1.00 45.44 C ATOM 1992 CD ARG A 127 21.933 21.542 -3.082 1.00 31.51 C ATOM 1993 NE ARG A 127 21.012 21.973 -2.007 1.00 34.31 N ATOM 1994 CZ ARG A 127 21.270 22.981 -1.148 1.00 4.33 C ATOM 1995 NH1 ARG A 127 22.427 23.672 -1.231 1.00 2.34 N ATOM 1996 NH2 ARG A 127 20.375 23.282 -0.225 1.00 64.51 N ATOM 0 H ARG A 127 21.853 18.009 -4.592 1.00 61.20 H new ATOM 0 HA ARG A 127 23.519 20.409 -4.874 1.00 51.30 H new ATOM 0 HB2 ARG A 127 22.450 18.844 -2.655 1.00 2.31 H new ATOM 0 HB3 ARG A 127 24.193 18.974 -2.528 1.00 2.31 H new ATOM 0 HG2 ARG A 127 23.090 20.876 -1.388 1.00 45.44 H new ATOM 0 HG3 ARG A 127 24.059 21.441 -2.734 1.00 45.44 H new ATOM 0 HD2 ARG A 127 22.234 22.402 -3.681 1.00 31.51 H new ATOM 0 HD3 ARG A 127 21.424 20.849 -3.752 1.00 31.51 H new ATOM 0 HE ARG A 127 20.126 21.477 -1.909 1.00 34.31 H new ATOM 0 HH11 ARG A 127 23.113 23.433 -1.947 1.00 2.34 H new ATOM 0 HH12 ARG A 127 22.615 24.433 -0.578 1.00 2.34 H new ATOM 0 HH21 ARG A 127 19.503 22.755 -0.169 1.00 64.51 H new ATOM 0 HH22 ARG A 127 20.555 24.041 0.432 1.00 64.51 H new ATOM 2009 N GLU A 128 25.759 18.868 -4.196 1.00 63.15 N ATOM 2010 CA GLU A 128 27.012 18.179 -4.458 1.00 52.45 C ATOM 2011 C GLU A 128 28.038 18.513 -3.374 1.00 41.40 C ATOM 2012 O GLU A 128 28.534 19.637 -3.309 1.00 13.25 O ATOM 2013 CB GLU A 128 27.549 18.528 -5.848 1.00 10.21 C ATOM 2014 CG GLU A 128 29.047 18.233 -5.947 1.00 0.05 C ATOM 2015 CD GLU A 128 29.873 19.486 -5.651 1.00 4.32 C ATOM 2016 OE1 GLU A 128 30.996 19.381 -5.136 1.00 4.05 O ATOM 2017 OE2 GLU A 128 29.310 20.600 -5.977 1.00 4.10 O ATOM 0 H GLU A 128 25.803 19.566 -3.453 1.00 63.15 H new ATOM 0 HA GLU A 128 26.826 17.105 -4.436 1.00 52.45 H new ATOM 0 HB2 GLU A 128 27.011 17.956 -6.604 1.00 10.21 H new ATOM 0 HB3 GLU A 128 27.368 19.582 -6.058 1.00 10.21 H new ATOM 0 HG2 GLU A 128 29.313 17.443 -5.244 1.00 0.05 H new ATOM 0 HG3 GLU A 128 29.284 17.864 -6.945 1.00 0.05 H new ATOM 2025 N LYS A 129 28.327 17.517 -2.550 1.00 74.21 N ATOM 2026 CA LYS A 129 29.285 17.691 -1.472 1.00 30.32 C ATOM 2027 C LYS A 129 30.432 18.582 -1.953 1.00 73.14 C ATOM 2028 O LYS A 129 31.353 18.110 -2.618 1.00 32.44 O ATOM 2029 CB LYS A 129 29.744 16.332 -0.939 1.00 1.13 C ATOM 2030 CG LYS A 129 28.577 15.566 -0.312 1.00 61.05 C ATOM 2031 CD LYS A 129 29.080 14.513 0.677 1.00 65.24 C ATOM 2032 CE LYS A 129 27.915 13.857 1.420 1.00 12.40 C ATOM 2033 NZ LYS A 129 28.385 12.684 2.189 1.00 21.42 N ATOM 0 H LYS A 129 27.914 16.586 -2.607 1.00 74.21 H new ATOM 0 HA LYS A 129 28.820 18.199 -0.627 1.00 30.32 H new ATOM 0 HB2 LYS A 129 30.174 15.746 -1.751 1.00 1.13 H new ATOM 0 HB3 LYS A 129 30.530 16.475 -0.198 1.00 1.13 H new ATOM 0 HG2 LYS A 129 27.913 16.263 0.200 1.00 61.05 H new ATOM 0 HG3 LYS A 129 27.991 15.084 -1.095 1.00 61.05 H new ATOM 0 HD2 LYS A 129 29.651 13.752 0.144 1.00 65.24 H new ATOM 0 HD3 LYS A 129 29.758 14.977 1.394 1.00 65.24 H new ATOM 0 HE2 LYS A 129 27.453 14.579 2.093 1.00 12.40 H new ATOM 0 HE3 LYS A 129 27.149 13.549 0.708 1.00 12.40 H new ATOM 0 HZ1 LYS A 129 27.581 12.251 2.687 1.00 21.42 H new ATOM 0 HZ2 LYS A 129 28.805 11.989 1.540 1.00 21.42 H new ATOM 0 HZ3 LYS A 129 29.099 12.987 2.882 1.00 21.42 H new ATOM 2046 N PRO A 130 30.335 19.889 -1.590 1.00 63.11 N ATOM 2047 CA PRO A 130 31.353 20.850 -1.978 1.00 2.52 C ATOM 2048 C PRO A 130 32.621 20.675 -1.139 1.00 50.03 C ATOM 2049 O PRO A 130 32.817 19.634 -0.514 1.00 13.12 O ATOM 2050 CB PRO A 130 30.701 22.211 -1.791 1.00 61.32 C ATOM 2051 CG PRO A 130 29.514 21.981 -0.871 1.00 34.25 C ATOM 2052 CD PRO A 130 29.259 20.484 -0.804 1.00 34.23 C ATOM 0 HA PRO A 130 31.684 20.719 -3.008 1.00 2.52 H new ATOM 0 HB2 PRO A 130 31.401 22.923 -1.354 1.00 61.32 H new ATOM 0 HB3 PRO A 130 30.380 22.625 -2.747 1.00 61.32 H new ATOM 0 HG2 PRO A 130 29.719 22.378 0.123 1.00 34.25 H new ATOM 0 HG3 PRO A 130 28.633 22.502 -1.247 1.00 34.25 H new ATOM 0 HD2 PRO A 130 29.275 20.125 0.225 1.00 34.23 H new ATOM 0 HD3 PRO A 130 28.282 20.230 -1.215 1.00 34.23 H new