USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 635 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 Single : A 17 LYS NZ :NH3+ -166:sc= -0.568 (180deg=-1.06) USER MOD Single : A 30 GLN : amide:sc= -0.436 K(o=-0.44,f=-1.1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -135:sc= -7.92! (180deg=-10.1!) USER MOD Single : A 38 GLN : amide:sc= -0.737 X(o=-0.74,f=-1!) USER MOD Single : A 39 ASN : amide:sc= -0.645 K(o=-0.64,f=-3.1!) USER MOD Single : A 44 HIS : no HD1:sc= -0.511 X(o=-0.51,f=-0.66) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0378 USER MOD Single : A 56 GLN : amide:sc= -2.33! K(o=-2.3!,f=-1.7) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 74 HIS : no HD1:sc= -0.0718 X(o=-0.072,f=0.0089) USER MOD Single : A 76 THR OG1 : rot 180:sc=-0.00965 USER MOD Single : A 79 THR OG1 : rot -35:sc= 0.303 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -177:sc=-0.00655 (180deg=-0.0185) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.372 K(o=-0.37,f=-3.5!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 151:sc= 1.78 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 248 N LYS A 17 14.448 49.426 70.368 1.00 74.20 N ATOM 249 CA LYS A 17 14.640 48.344 69.410 1.00 61.44 C ATOM 250 C LYS A 17 13.305 47.715 69.024 1.00 13.13 C ATOM 251 O LYS A 17 12.257 48.086 69.556 1.00 24.31 O ATOM 252 CB LYS A 17 15.568 47.278 69.993 1.00 43.13 C ATOM 253 CG LYS A 17 15.321 46.994 71.465 1.00 41.12 C ATOM 254 CD LYS A 17 14.490 45.737 71.658 1.00 41.11 C ATOM 255 CE LYS A 17 15.367 44.497 71.740 1.00 14.42 C ATOM 256 NZ LYS A 17 15.955 44.144 70.419 1.00 31.20 N ATOM 0 HA LYS A 17 15.096 48.763 68.513 1.00 61.44 H new ATOM 0 HB2 LYS A 17 15.446 46.354 69.428 1.00 43.13 H new ATOM 0 HB3 LYS A 17 16.602 47.597 69.862 1.00 43.13 H new ATOM 0 HG2 LYS A 17 16.275 46.883 71.980 1.00 41.12 H new ATOM 0 HG3 LYS A 17 14.810 47.843 71.920 1.00 41.12 H new ATOM 0 HD2 LYS A 17 13.899 45.827 72.569 1.00 41.11 H new ATOM 0 HD3 LYS A 17 13.788 45.633 70.831 1.00 41.11 H new ATOM 0 HE2 LYS A 17 16.168 44.666 72.460 1.00 14.42 H new ATOM 0 HE3 LYS A 17 14.777 43.659 72.110 1.00 14.42 H new ATOM 0 HZ1 LYS A 17 16.344 43.180 70.458 1.00 31.20 H new ATOM 0 HZ2 LYS A 17 15.217 44.190 69.687 1.00 31.20 H new ATOM 0 HZ3 LYS A 17 16.715 44.815 70.187 1.00 31.20 H new ATOM 270 N TRP A 18 13.350 46.762 68.101 1.00 22.33 N ATOM 271 CA TRP A 18 12.143 46.081 67.646 1.00 42.12 C ATOM 272 C TRP A 18 11.360 45.515 68.826 1.00 63.01 C ATOM 273 O TRP A 18 11.784 45.629 69.977 1.00 64.03 O ATOM 274 CB TRP A 18 12.503 44.958 66.671 1.00 55.23 C ATOM 275 CG TRP A 18 13.595 45.331 65.714 1.00 10.44 C ATOM 276 CD1 TRP A 18 13.781 46.543 65.115 1.00 61.31 C ATOM 277 CD2 TRP A 18 14.649 44.483 65.247 1.00 25.22 C ATOM 278 NE1 TRP A 18 14.888 46.500 64.301 1.00 75.03 N ATOM 279 CE2 TRP A 18 15.439 45.248 64.366 1.00 23.42 C ATOM 280 CE3 TRP A 18 15.005 43.153 65.487 1.00 22.02 C ATOM 281 CZ2 TRP A 18 16.559 44.724 63.726 1.00 70.53 C ATOM 282 CZ3 TRP A 18 16.117 42.635 64.850 1.00 11.34 C ATOM 283 CH2 TRP A 18 16.884 43.420 63.979 1.00 53.11 C ATOM 0 H TRP A 18 14.209 46.443 67.653 1.00 22.33 H new ATOM 0 HA TRP A 18 11.515 46.810 67.134 1.00 42.12 H new ATOM 0 HB2 TRP A 18 12.810 44.079 67.238 1.00 55.23 H new ATOM 0 HB3 TRP A 18 11.614 44.678 66.106 1.00 55.23 H new ATOM 0 HD1 TRP A 18 13.151 47.408 65.259 1.00 61.31 H new ATOM 0 HE1 TRP A 18 15.242 47.275 63.740 1.00 75.03 H new ATOM 0 HE3 TRP A 18 14.421 42.541 66.158 1.00 22.02 H new ATOM 0 HZ2 TRP A 18 17.151 45.327 63.053 1.00 70.53 H new ATOM 0 HZ3 TRP A 18 16.399 41.608 65.027 1.00 11.34 H new ATOM 0 HH2 TRP A 18 17.749 42.987 63.498 1.00 53.11 H new ATOM 294 N LEU A 19 10.218 44.904 68.534 1.00 24.32 N ATOM 295 CA LEU A 19 9.375 44.319 69.572 1.00 65.22 C ATOM 296 C LEU A 19 9.998 43.039 70.121 1.00 62.53 C ATOM 297 O LEU A 19 9.427 42.385 70.994 1.00 5.14 O ATOM 298 CB LEU A 19 7.980 44.024 69.018 1.00 50.14 C ATOM 299 CG LEU A 19 6.882 45.017 69.404 1.00 24.24 C ATOM 300 CD1 LEU A 19 7.413 46.442 69.367 1.00 1.52 C ATOM 301 CD2 LEU A 19 5.683 44.869 68.478 1.00 72.35 C ATOM 0 H LEU A 19 9.854 44.800 67.587 1.00 24.32 H new ATOM 0 HA LEU A 19 9.291 45.039 70.386 1.00 65.22 H new ATOM 0 HB2 LEU A 19 8.043 43.987 67.930 1.00 50.14 H new ATOM 0 HB3 LEU A 19 7.680 43.032 69.354 1.00 50.14 H new ATOM 0 HG LEU A 19 6.561 44.798 70.422 1.00 24.24 H new ATOM 0 HD11 LEU A 19 6.618 47.134 69.644 1.00 1.52 H new ATOM 0 HD12 LEU A 19 8.241 46.540 70.069 1.00 1.52 H new ATOM 0 HD13 LEU A 19 7.761 46.674 68.361 1.00 1.52 H new ATOM 0 HD21 LEU A 19 4.911 45.582 68.766 1.00 72.35 H new ATOM 0 HD22 LEU A 19 5.991 45.062 67.450 1.00 72.35 H new ATOM 0 HD23 LEU A 19 5.288 43.856 68.554 1.00 72.35 H new ATOM 313 N ASP A 20 11.172 42.690 69.605 1.00 14.14 N ATOM 314 CA ASP A 20 11.873 41.490 70.047 1.00 40.04 C ATOM 315 C ASP A 20 11.825 41.359 71.566 1.00 74.31 C ATOM 316 O ASP A 20 11.308 40.379 72.098 1.00 13.15 O ATOM 317 CB ASP A 20 13.326 41.520 69.571 1.00 4.50 C ATOM 318 CG ASP A 20 14.218 40.594 70.375 1.00 53.24 C ATOM 319 OD1 ASP A 20 14.321 39.404 70.009 1.00 73.12 O ATOM 320 OD2 ASP A 20 14.812 41.059 71.372 1.00 4.14 O ATOM 0 H ASP A 20 11.657 43.220 68.881 1.00 14.14 H new ATOM 0 HA ASP A 20 11.372 40.625 69.611 1.00 40.04 H new ATOM 0 HB2 ASP A 20 13.367 41.236 68.519 1.00 4.50 H new ATOM 0 HB3 ASP A 20 13.707 42.539 69.641 1.00 4.50 H new ATOM 325 N GLY A 21 12.368 42.356 72.258 1.00 44.22 N ATOM 326 CA GLY A 21 12.378 42.332 73.709 1.00 14.21 C ATOM 327 C GLY A 21 12.425 43.722 74.311 1.00 32.11 C ATOM 328 O GLY A 21 13.339 44.048 75.070 1.00 33.23 O ATOM 0 H GLY A 21 12.801 43.179 71.840 1.00 44.22 H new ATOM 0 HA2 GLY A 21 11.488 41.814 74.067 1.00 14.21 H new ATOM 0 HA3 GLY A 21 13.240 41.761 74.054 1.00 14.21 H new ATOM 332 N LEU A 22 11.438 44.546 73.973 1.00 3.14 N ATOM 333 CA LEU A 22 11.371 45.910 74.484 1.00 14.21 C ATOM 334 C LEU A 22 10.908 45.925 75.938 1.00 13.32 C ATOM 335 O LEU A 22 11.424 46.685 76.756 1.00 51.44 O ATOM 336 CB LEU A 22 10.424 46.752 73.627 1.00 3.34 C ATOM 337 CG LEU A 22 11.042 47.412 72.395 1.00 42.24 C ATOM 338 CD1 LEU A 22 9.971 47.726 71.362 1.00 2.52 C ATOM 339 CD2 LEU A 22 11.793 48.677 72.788 1.00 30.34 C ATOM 0 H LEU A 22 10.674 44.292 73.347 1.00 3.14 H new ATOM 0 HA LEU A 22 12.372 46.339 74.436 1.00 14.21 H new ATOM 0 HB2 LEU A 22 9.601 46.117 73.300 1.00 3.34 H new ATOM 0 HB3 LEU A 22 9.994 47.532 74.255 1.00 3.34 H new ATOM 0 HG LEU A 22 11.752 46.714 71.951 1.00 42.24 H new ATOM 0 HD11 LEU A 22 10.431 48.195 70.492 1.00 2.52 H new ATOM 0 HD12 LEU A 22 9.477 46.803 71.058 1.00 2.52 H new ATOM 0 HD13 LEU A 22 9.236 48.405 71.795 1.00 2.52 H new ATOM 0 HD21 LEU A 22 12.227 49.134 71.898 1.00 30.34 H new ATOM 0 HD22 LEU A 22 11.103 49.379 73.257 1.00 30.34 H new ATOM 0 HD23 LEU A 22 12.587 48.425 73.490 1.00 30.34 H new ATOM 351 N ARG A 23 9.932 45.078 76.252 1.00 22.40 N ATOM 352 CA ARG A 23 9.401 44.994 77.606 1.00 11.45 C ATOM 353 C ARG A 23 10.505 45.206 78.638 1.00 54.02 C ATOM 354 O ARG A 23 10.269 45.766 79.708 1.00 14.34 O ATOM 355 CB ARG A 23 8.733 43.636 77.830 1.00 35.44 C ATOM 356 CG ARG A 23 9.661 42.455 77.602 1.00 64.20 C ATOM 357 CD ARG A 23 9.059 41.162 78.129 1.00 24.54 C ATOM 358 NE ARG A 23 10.035 40.076 78.160 1.00 40.11 N ATOM 359 CZ ARG A 23 9.914 39.002 78.932 1.00 53.12 C ATOM 360 NH1 ARG A 23 8.864 38.870 79.732 1.00 62.44 N ATOM 361 NH2 ARG A 23 10.845 38.057 78.906 1.00 13.13 N ATOM 0 H ARG A 23 9.494 44.441 75.587 1.00 22.40 H new ATOM 0 HA ARG A 23 8.658 45.782 77.728 1.00 11.45 H new ATOM 0 HB2 ARG A 23 8.349 43.594 78.849 1.00 35.44 H new ATOM 0 HB3 ARG A 23 7.876 43.548 77.162 1.00 35.44 H new ATOM 0 HG2 ARG A 23 9.867 42.354 76.536 1.00 64.20 H new ATOM 0 HG3 ARG A 23 10.615 42.641 78.095 1.00 64.20 H new ATOM 0 HD2 ARG A 23 8.668 41.327 79.133 1.00 24.54 H new ATOM 0 HD3 ARG A 23 8.215 40.873 77.502 1.00 24.54 H new ATOM 0 HE ARG A 23 10.854 40.146 77.556 1.00 40.11 H new ATOM 0 HH11 ARG A 23 8.146 39.595 79.756 1.00 62.44 H new ATOM 0 HH12 ARG A 23 8.774 38.044 80.324 1.00 62.44 H new ATOM 0 HH21 ARG A 23 11.654 38.155 78.293 1.00 13.13 H new ATOM 0 HH22 ARG A 23 10.751 37.232 79.499 1.00 13.13 H new ATOM 449 N GLN A 30 6.142 53.660 77.788 1.00 54.14 N ATOM 450 CA GLN A 30 6.224 52.676 76.717 1.00 25.02 C ATOM 451 C GLN A 30 6.990 53.235 75.521 1.00 13.32 C ATOM 452 O GLN A 30 6.465 54.047 74.761 1.00 73.31 O ATOM 453 CB GLN A 30 4.823 52.243 76.283 1.00 72.31 C ATOM 454 CG GLN A 30 4.072 51.457 77.346 1.00 40.11 C ATOM 455 CD GLN A 30 4.877 50.291 77.885 1.00 31.04 C ATOM 456 OE1 GLN A 30 5.735 50.461 78.752 1.00 3.15 O ATOM 457 NE2 GLN A 30 4.602 49.096 77.374 1.00 44.25 N ATOM 0 HA GLN A 30 6.762 51.808 77.097 1.00 25.02 H new ATOM 0 HB2 GLN A 30 4.243 53.128 76.020 1.00 72.31 H new ATOM 0 HB3 GLN A 30 4.903 51.635 75.382 1.00 72.31 H new ATOM 0 HG2 GLN A 30 3.809 52.123 78.168 1.00 40.11 H new ATOM 0 HG3 GLN A 30 3.137 51.085 76.926 1.00 40.11 H new ATOM 0 HE21 GLN A 30 3.883 49.001 76.657 1.00 44.25 H new ATOM 0 HE22 GLN A 30 5.110 48.273 77.699 1.00 44.25 H new ATOM 466 N GLY A 31 8.234 52.793 75.362 1.00 13.25 N ATOM 467 CA GLY A 31 9.051 53.260 74.258 1.00 61.33 C ATOM 468 C GLY A 31 8.723 52.556 72.955 1.00 42.25 C ATOM 469 O GLY A 31 9.039 53.056 71.875 1.00 51.42 O ATOM 0 H GLY A 31 8.690 52.120 75.978 1.00 13.25 H new ATOM 0 HA2 GLY A 31 8.908 54.333 74.133 1.00 61.33 H new ATOM 0 HA3 GLY A 31 10.103 53.104 74.497 1.00 61.33 H new ATOM 473 N ASP A 32 8.090 51.393 73.057 1.00 41.23 N ATOM 474 CA ASP A 32 7.721 50.618 71.878 1.00 71.11 C ATOM 475 C ASP A 32 6.663 51.350 71.057 1.00 10.43 C ATOM 476 O ASP A 32 6.864 51.630 69.876 1.00 22.33 O ATOM 477 CB ASP A 32 7.202 49.239 72.289 1.00 73.43 C ATOM 478 CG ASP A 32 6.115 49.321 73.342 1.00 11.35 C ATOM 479 OD1 ASP A 32 6.342 49.976 74.382 1.00 63.42 O ATOM 480 OD2 ASP A 32 5.036 48.731 73.128 1.00 22.34 O ATOM 0 H ASP A 32 7.822 50.966 73.944 1.00 41.23 H new ATOM 0 HA ASP A 32 8.612 50.493 71.262 1.00 71.11 H new ATOM 0 HB2 ASP A 32 6.815 48.723 71.410 1.00 73.43 H new ATOM 0 HB3 ASP A 32 8.030 48.641 72.671 1.00 73.43 H new ATOM 485 N VAL A 33 5.535 51.654 71.691 1.00 53.05 N ATOM 486 CA VAL A 33 4.445 52.353 71.020 1.00 44.43 C ATOM 487 C VAL A 33 4.729 53.848 70.921 1.00 54.32 C ATOM 488 O VAL A 33 4.333 54.504 69.958 1.00 13.53 O ATOM 489 CB VAL A 33 3.107 52.143 71.754 1.00 42.05 C ATOM 490 CG1 VAL A 33 2.645 50.700 71.619 1.00 63.45 C ATOM 491 CG2 VAL A 33 3.237 52.534 73.219 1.00 44.12 C ATOM 0 H VAL A 33 5.352 51.427 72.668 1.00 53.05 H new ATOM 0 HA VAL A 33 4.370 51.933 70.017 1.00 44.43 H new ATOM 0 HB VAL A 33 2.355 52.785 71.295 1.00 42.05 H new ATOM 0 HG11 VAL A 33 1.698 50.570 72.144 1.00 63.45 H new ATOM 0 HG12 VAL A 33 2.512 50.458 70.565 1.00 63.45 H new ATOM 0 HG13 VAL A 33 3.394 50.036 72.052 1.00 63.45 H new ATOM 0 HG21 VAL A 33 2.283 52.380 73.723 1.00 44.12 H new ATOM 0 HG22 VAL A 33 4.002 51.919 73.693 1.00 44.12 H new ATOM 0 HG23 VAL A 33 3.520 53.584 73.292 1.00 44.12 H new ATOM 501 N LYS A 34 5.419 54.381 71.924 1.00 3.02 N ATOM 502 CA LYS A 34 5.759 55.798 71.951 1.00 30.40 C ATOM 503 C LYS A 34 6.388 56.233 70.632 1.00 25.23 C ATOM 504 O LYS A 34 6.089 57.309 70.113 1.00 12.34 O ATOM 505 CB LYS A 34 6.718 56.092 73.107 1.00 22.42 C ATOM 506 CG LYS A 34 7.449 57.417 72.969 1.00 40.03 C ATOM 507 CD LYS A 34 8.130 57.815 74.267 1.00 44.15 C ATOM 508 CE LYS A 34 9.615 58.071 74.060 1.00 63.14 C ATOM 509 NZ LYS A 34 10.387 57.911 75.323 1.00 53.40 N ATOM 0 H LYS A 34 5.754 53.852 72.729 1.00 3.02 H new ATOM 0 HA LYS A 34 4.839 56.363 72.098 1.00 30.40 H new ATOM 0 HB2 LYS A 34 6.158 56.091 74.042 1.00 22.42 H new ATOM 0 HB3 LYS A 34 7.451 55.288 73.174 1.00 22.42 H new ATOM 0 HG2 LYS A 34 8.192 57.343 72.175 1.00 40.03 H new ATOM 0 HG3 LYS A 34 6.744 58.194 72.674 1.00 40.03 H new ATOM 0 HD2 LYS A 34 7.657 58.712 74.667 1.00 44.15 H new ATOM 0 HD3 LYS A 34 7.995 57.026 75.007 1.00 44.15 H new ATOM 0 HE2 LYS A 34 10.001 57.382 73.309 1.00 63.14 H new ATOM 0 HE3 LYS A 34 9.759 59.079 73.672 1.00 63.14 H new ATOM 0 HZ1 LYS A 34 11.394 58.094 75.140 1.00 53.40 H new ATOM 0 HZ2 LYS A 34 10.036 58.586 76.032 1.00 53.40 H new ATOM 0 HZ3 LYS A 34 10.271 56.941 75.681 1.00 53.40 H new ATOM 523 N VAL A 35 7.260 55.387 70.091 1.00 70.24 N ATOM 524 CA VAL A 35 7.931 55.682 68.830 1.00 34.43 C ATOM 525 C VAL A 35 7.087 55.233 67.642 1.00 3.03 C ATOM 526 O VAL A 35 7.258 55.723 66.525 1.00 43.32 O ATOM 527 CB VAL A 35 9.309 55.001 68.753 1.00 50.44 C ATOM 528 CG1 VAL A 35 10.159 55.380 69.956 1.00 53.42 C ATOM 529 CG2 VAL A 35 9.153 53.492 68.655 1.00 34.15 C ATOM 0 H VAL A 35 7.518 54.492 70.506 1.00 70.24 H new ATOM 0 HA VAL A 35 8.067 56.763 68.789 1.00 34.43 H new ATOM 0 HB VAL A 35 9.817 55.349 67.854 1.00 50.44 H new ATOM 0 HG11 VAL A 35 11.130 54.889 69.885 1.00 53.42 H new ATOM 0 HG12 VAL A 35 10.299 56.461 69.976 1.00 53.42 H new ATOM 0 HG13 VAL A 35 9.658 55.062 70.870 1.00 53.42 H new ATOM 0 HG21 VAL A 35 10.137 53.027 68.601 1.00 34.15 H new ATOM 0 HG22 VAL A 35 8.625 53.123 69.534 1.00 34.15 H new ATOM 0 HG23 VAL A 35 8.585 53.242 67.759 1.00 34.15 H new ATOM 539 N TRP A 36 6.177 54.299 67.889 1.00 53.32 N ATOM 540 CA TRP A 36 5.306 53.783 66.839 1.00 33.11 C ATOM 541 C TRP A 36 4.780 54.914 65.963 1.00 35.30 C ATOM 542 O TRP A 36 4.661 54.766 64.748 1.00 60.53 O ATOM 543 CB TRP A 36 4.137 53.010 67.451 1.00 14.34 C ATOM 544 CG TRP A 36 3.213 52.422 66.429 1.00 33.55 C ATOM 545 CD1 TRP A 36 2.513 53.099 65.471 1.00 64.13 C ATOM 546 CD2 TRP A 36 2.884 51.039 66.265 1.00 25.31 C ATOM 547 NE1 TRP A 36 1.771 52.219 64.720 1.00 72.24 N ATOM 548 CE2 TRP A 36 1.982 50.950 65.186 1.00 5.13 C ATOM 549 CE3 TRP A 36 3.267 49.866 66.921 1.00 43.13 C ATOM 550 CZ2 TRP A 36 1.458 49.734 64.754 1.00 63.14 C ATOM 551 CZ3 TRP A 36 2.746 48.661 66.490 1.00 34.12 C ATOM 552 CH2 TRP A 36 1.850 48.602 65.415 1.00 62.21 C ATOM 0 H TRP A 36 6.022 53.883 68.807 1.00 53.32 H new ATOM 0 HA TRP A 36 5.892 53.108 66.215 1.00 33.11 H new ATOM 0 HB2 TRP A 36 4.529 52.210 68.079 1.00 14.34 H new ATOM 0 HB3 TRP A 36 3.571 53.677 68.101 1.00 14.34 H new ATOM 0 HD1 TRP A 36 2.539 54.169 65.325 1.00 64.13 H new ATOM 0 HE1 TRP A 36 1.162 52.471 63.942 1.00 72.24 H new ATOM 0 HE3 TRP A 36 3.958 49.901 67.750 1.00 43.13 H new ATOM 0 HZ2 TRP A 36 0.766 49.686 63.926 1.00 63.14 H new ATOM 0 HZ3 TRP A 36 3.035 47.749 66.991 1.00 34.12 H new ATOM 0 HH2 TRP A 36 1.461 47.644 65.102 1.00 62.21 H new ATOM 563 N MET A 37 4.467 56.045 66.588 1.00 41.24 N ATOM 564 CA MET A 37 3.955 57.202 65.864 1.00 41.02 C ATOM 565 C MET A 37 5.060 57.865 65.048 1.00 41.05 C ATOM 566 O MET A 37 4.875 58.174 63.871 1.00 11.11 O ATOM 567 CB MET A 37 3.348 58.213 66.839 1.00 41.34 C ATOM 568 CG MET A 37 4.290 58.615 67.963 1.00 23.31 C ATOM 569 SD MET A 37 3.451 58.767 69.551 1.00 72.34 S ATOM 570 CE MET A 37 2.929 57.076 69.822 1.00 34.25 C ATOM 0 H MET A 37 4.559 56.184 67.594 1.00 41.24 H new ATOM 0 HA MET A 37 3.179 56.857 65.180 1.00 41.02 H new ATOM 0 HB2 MET A 37 3.053 59.105 66.287 1.00 41.34 H new ATOM 0 HB3 MET A 37 2.441 57.790 67.270 1.00 41.34 H new ATOM 0 HG2 MET A 37 5.086 57.875 68.047 1.00 23.31 H new ATOM 0 HG3 MET A 37 4.762 59.565 67.714 1.00 23.31 H new ATOM 0 HE1 MET A 37 1.894 57.065 70.164 1.00 34.25 H new ATOM 0 HE2 MET A 37 3.009 56.517 68.890 1.00 34.25 H new ATOM 0 HE3 MET A 37 3.566 56.615 70.577 1.00 34.25 H new ATOM 580 N GLN A 38 6.209 58.081 65.681 1.00 2.14 N ATOM 581 CA GLN A 38 7.343 58.709 65.013 1.00 5.32 C ATOM 582 C GLN A 38 7.813 57.866 63.831 1.00 2.32 C ATOM 583 O GLN A 38 8.394 58.384 62.878 1.00 54.11 O ATOM 584 CB GLN A 38 8.495 58.912 65.999 1.00 23.33 C ATOM 585 CG GLN A 38 9.459 57.739 66.058 1.00 70.04 C ATOM 586 CD GLN A 38 10.714 57.974 65.242 1.00 65.31 C ATOM 587 OE1 GLN A 38 10.659 58.520 64.139 1.00 32.13 O ATOM 588 NE2 GLN A 38 11.857 57.562 65.778 1.00 35.12 N ATOM 0 H GLN A 38 6.379 57.830 66.655 1.00 2.14 H new ATOM 0 HA GLN A 38 7.019 59.680 64.638 1.00 5.32 H new ATOM 0 HB2 GLN A 38 9.046 59.811 65.721 1.00 23.33 H new ATOM 0 HB3 GLN A 38 8.085 59.085 66.994 1.00 23.33 H new ATOM 0 HG2 GLN A 38 9.735 57.552 67.096 1.00 70.04 H new ATOM 0 HG3 GLN A 38 8.957 56.842 65.695 1.00 70.04 H new ATOM 0 HE21 GLN A 38 11.858 57.114 66.694 1.00 35.12 H new ATOM 0 HE22 GLN A 38 12.734 57.693 65.273 1.00 35.12 H new ATOM 597 N ASN A 39 7.557 56.563 63.901 1.00 64.14 N ATOM 598 CA ASN A 39 7.956 55.648 62.837 1.00 12.12 C ATOM 599 C ASN A 39 7.144 55.902 61.569 1.00 54.44 C ATOM 600 O ASN A 39 7.692 55.945 60.468 1.00 44.13 O ATOM 601 CB ASN A 39 7.775 54.198 63.290 1.00 4.21 C ATOM 602 CG ASN A 39 9.099 53.502 63.544 1.00 32.51 C ATOM 603 OD1 ASN A 39 10.161 54.120 63.469 1.00 2.33 O ATOM 604 ND2 ASN A 39 9.040 52.212 63.847 1.00 3.54 N ATOM 0 H ASN A 39 7.076 56.118 64.682 1.00 64.14 H new ATOM 0 HA ASN A 39 9.009 55.824 62.615 1.00 12.12 H new ATOM 0 HB2 ASN A 39 7.176 54.177 64.200 1.00 4.21 H new ATOM 0 HB3 ASN A 39 7.219 53.649 62.530 1.00 4.21 H new ATOM 0 HD21 ASN A 39 9.898 51.691 64.029 1.00 3.54 H new ATOM 0 HD22 ASN A 39 8.137 51.741 63.898 1.00 3.54 H new ATOM 611 N LEU A 40 5.837 56.069 61.735 1.00 25.52 N ATOM 612 CA LEU A 40 4.950 56.320 60.604 1.00 52.50 C ATOM 613 C LEU A 40 5.015 57.782 60.174 1.00 32.13 C ATOM 614 O LEU A 40 5.162 58.084 58.990 1.00 30.24 O ATOM 615 CB LEU A 40 3.511 55.947 60.968 1.00 62.32 C ATOM 616 CG LEU A 40 3.334 55.117 62.239 1.00 53.34 C ATOM 617 CD1 LEU A 40 1.884 54.688 62.399 1.00 35.33 C ATOM 618 CD2 LEU A 40 4.251 53.903 62.216 1.00 71.13 C ATOM 0 H LEU A 40 5.368 56.035 62.640 1.00 25.52 H new ATOM 0 HA LEU A 40 5.280 55.701 59.770 1.00 52.50 H new ATOM 0 HB2 LEU A 40 2.935 56.866 61.075 1.00 62.32 H new ATOM 0 HB3 LEU A 40 3.078 55.395 60.134 1.00 62.32 H new ATOM 0 HG LEU A 40 3.605 55.736 63.094 1.00 53.34 H new ATOM 0 HD11 LEU A 40 1.777 54.098 63.309 1.00 35.33 H new ATOM 0 HD12 LEU A 40 1.248 55.571 62.462 1.00 35.33 H new ATOM 0 HD13 LEU A 40 1.586 54.087 61.540 1.00 35.33 H new ATOM 0 HD21 LEU A 40 4.111 53.324 63.129 1.00 71.13 H new ATOM 0 HD22 LEU A 40 4.012 53.282 61.352 1.00 71.13 H new ATOM 0 HD23 LEU A 40 5.288 54.232 62.150 1.00 71.13 H new ATOM 630 N GLU A 41 4.907 58.684 61.144 1.00 23.25 N ATOM 631 CA GLU A 41 4.956 60.114 60.864 1.00 54.04 C ATOM 632 C GLU A 41 6.098 60.443 59.908 1.00 64.13 C ATOM 633 O GLU A 41 6.072 61.464 59.221 1.00 64.55 O ATOM 634 CB GLU A 41 5.120 60.906 62.164 1.00 2.41 C ATOM 635 CG GLU A 41 4.398 62.242 62.158 1.00 71.34 C ATOM 636 CD GLU A 41 2.909 62.103 62.410 1.00 51.34 C ATOM 637 OE1 GLU A 41 2.232 61.424 61.610 1.00 51.30 O ATOM 638 OE2 GLU A 41 2.422 62.674 63.408 1.00 14.32 O ATOM 0 H GLU A 41 4.785 58.450 62.129 1.00 23.25 H new ATOM 0 HA GLU A 41 4.016 60.397 60.390 1.00 54.04 H new ATOM 0 HB2 GLU A 41 4.749 60.306 62.995 1.00 2.41 H new ATOM 0 HB3 GLU A 41 6.181 61.077 62.344 1.00 2.41 H new ATOM 0 HG2 GLU A 41 4.833 62.889 62.920 1.00 71.34 H new ATOM 0 HG3 GLU A 41 4.556 62.731 61.197 1.00 71.34 H new ATOM 645 N ASP A 42 7.101 59.572 59.871 1.00 13.22 N ATOM 646 CA ASP A 42 8.253 59.769 59.000 1.00 12.22 C ATOM 647 C ASP A 42 7.953 59.286 57.584 1.00 1.52 C ATOM 648 O ASP A 42 8.241 59.977 56.607 1.00 23.03 O ATOM 649 CB ASP A 42 9.472 59.030 59.556 1.00 34.25 C ATOM 650 CG ASP A 42 10.738 59.860 59.475 1.00 1.54 C ATOM 651 OD1 ASP A 42 11.277 60.011 58.359 1.00 64.22 O ATOM 652 OD2 ASP A 42 11.191 60.357 60.528 1.00 22.34 O ATOM 0 H ASP A 42 7.139 58.723 60.435 1.00 13.22 H new ATOM 0 HA ASP A 42 8.470 60.836 58.962 1.00 12.22 H new ATOM 0 HB2 ASP A 42 9.285 58.757 60.595 1.00 34.25 H new ATOM 0 HB3 ASP A 42 9.614 58.101 59.003 1.00 34.25 H new ATOM 657 N LEU A 43 7.373 58.095 57.482 1.00 20.34 N ATOM 658 CA LEU A 43 7.034 57.519 56.185 1.00 15.32 C ATOM 659 C LEU A 43 5.691 58.046 55.689 1.00 64.14 C ATOM 660 O LEU A 43 5.592 58.577 54.582 1.00 73.10 O ATOM 661 CB LEU A 43 6.992 55.993 56.279 1.00 0.31 C ATOM 662 CG LEU A 43 7.356 55.231 55.003 1.00 75.01 C ATOM 663 CD1 LEU A 43 6.512 55.716 53.834 1.00 45.13 C ATOM 664 CD2 LEU A 43 8.838 55.385 54.695 1.00 43.11 C ATOM 0 H LEU A 43 7.128 57.510 58.281 1.00 20.34 H new ATOM 0 HA LEU A 43 7.804 57.813 55.472 1.00 15.32 H new ATOM 0 HB2 LEU A 43 7.671 55.679 57.072 1.00 0.31 H new ATOM 0 HB3 LEU A 43 5.988 55.695 56.582 1.00 0.31 H new ATOM 0 HG LEU A 43 7.147 54.173 55.161 1.00 75.01 H new ATOM 0 HD11 LEU A 43 6.784 55.163 52.935 1.00 45.13 H new ATOM 0 HD12 LEU A 43 5.457 55.553 54.055 1.00 45.13 H new ATOM 0 HD13 LEU A 43 6.689 56.779 53.674 1.00 45.13 H new ATOM 0 HD21 LEU A 43 9.079 54.837 53.784 1.00 43.11 H new ATOM 0 HD22 LEU A 43 9.073 56.440 54.556 1.00 43.11 H new ATOM 0 HD23 LEU A 43 9.425 54.989 55.524 1.00 43.11 H new ATOM 676 N HIS A 44 4.661 57.898 56.515 1.00 53.34 N ATOM 677 CA HIS A 44 3.324 58.362 56.162 1.00 62.40 C ATOM 678 C HIS A 44 3.385 59.730 55.488 1.00 11.43 C ATOM 679 O HIS A 44 2.620 60.014 54.565 1.00 52.12 O ATOM 680 CB HIS A 44 2.440 58.433 57.407 1.00 11.24 C ATOM 681 CG HIS A 44 1.038 58.876 57.122 1.00 34.13 C ATOM 682 ND1 HIS A 44 0.676 60.202 57.010 1.00 30.14 N ATOM 683 CD2 HIS A 44 -0.094 58.161 56.922 1.00 54.52 C ATOM 684 CE1 HIS A 44 -0.618 60.283 56.757 1.00 14.41 C ATOM 685 NE2 HIS A 44 -1.109 59.059 56.699 1.00 3.41 N ATOM 0 H HIS A 44 4.726 57.460 57.434 1.00 53.34 H new ATOM 0 HA HIS A 44 2.892 57.649 55.460 1.00 62.40 H new ATOM 0 HB2 HIS A 44 2.413 57.451 57.880 1.00 11.24 H new ATOM 0 HB3 HIS A 44 2.891 59.120 58.124 1.00 11.24 H new ATOM 0 HD2 HIS A 44 -0.182 57.085 56.935 1.00 54.52 H new ATOM 0 HE1 HIS A 44 -1.179 61.196 56.621 1.00 14.41 H new ATOM 0 HE2 HIS A 44 -2.084 58.819 56.518 1.00 3.41 H new ATOM 693 N THR A 45 4.298 60.574 55.956 1.00 73.51 N ATOM 694 CA THR A 45 4.457 61.913 55.402 1.00 20.55 C ATOM 695 C THR A 45 4.500 61.875 53.878 1.00 2.11 C ATOM 696 O THR A 45 3.917 62.727 53.209 1.00 72.20 O ATOM 697 CB THR A 45 5.739 62.589 55.924 1.00 33.43 C ATOM 698 OG1 THR A 45 5.674 64.002 55.696 1.00 44.05 O ATOM 699 CG2 THR A 45 6.970 62.016 55.240 1.00 43.23 C ATOM 0 H THR A 45 4.939 60.354 56.718 1.00 73.51 H new ATOM 0 HA THR A 45 3.593 62.493 55.725 1.00 20.55 H new ATOM 0 HB THR A 45 5.816 62.397 56.994 1.00 33.43 H new ATOM 0 HG1 THR A 45 6.492 64.425 56.032 1.00 44.05 H new ATOM 0 HG21 THR A 45 7.863 62.509 55.625 1.00 43.23 H new ATOM 0 HG22 THR A 45 7.032 60.946 55.439 1.00 43.23 H new ATOM 0 HG23 THR A 45 6.899 62.182 54.165 1.00 43.23 H new ATOM 707 N ARG A 46 5.196 60.880 53.336 1.00 60.45 N ATOM 708 CA ARG A 46 5.316 60.732 51.890 1.00 4.13 C ATOM 709 C ARG A 46 4.340 59.682 51.369 1.00 4.55 C ATOM 710 O ARG A 46 3.601 59.925 50.414 1.00 55.45 O ATOM 711 CB ARG A 46 6.747 60.346 51.513 1.00 44.31 C ATOM 712 CG ARG A 46 7.011 60.373 50.016 1.00 53.32 C ATOM 713 CD ARG A 46 8.488 60.576 49.715 1.00 11.11 C ATOM 714 NE ARG A 46 9.205 59.308 49.610 1.00 32.52 N ATOM 715 CZ ARG A 46 10.515 59.187 49.786 1.00 63.25 C ATOM 716 NH1 ARG A 46 11.249 60.253 50.076 1.00 24.34 N ATOM 717 NH2 ARG A 46 11.095 57.999 49.674 1.00 32.14 N ATOM 0 H ARG A 46 5.685 60.166 53.876 1.00 60.45 H new ATOM 0 HA ARG A 46 5.072 61.690 51.430 1.00 4.13 H new ATOM 0 HB2 ARG A 46 7.440 61.026 52.008 1.00 44.31 H new ATOM 0 HB3 ARG A 46 6.956 59.346 51.892 1.00 44.31 H new ATOM 0 HG2 ARG A 46 6.672 59.438 49.569 1.00 53.32 H new ATOM 0 HG3 ARG A 46 6.431 61.174 49.557 1.00 53.32 H new ATOM 0 HD2 ARG A 46 8.595 61.131 48.783 1.00 11.11 H new ATOM 0 HD3 ARG A 46 8.938 61.183 50.501 1.00 11.11 H new ATOM 0 HE ARG A 46 8.669 58.469 49.389 1.00 32.52 H new ATOM 0 HH11 ARG A 46 10.807 61.168 50.164 1.00 24.34 H new ATOM 0 HH12 ARG A 46 12.256 60.158 50.211 1.00 24.34 H new ATOM 0 HH21 ARG A 46 10.534 57.176 49.452 1.00 32.14 H new ATOM 0 HH22 ARG A 46 12.102 57.908 49.810 1.00 32.14 H new ATOM 731 N ARG A 47 4.343 58.513 52.001 1.00 4.14 N ATOM 732 CA ARG A 47 3.460 57.424 51.600 1.00 62.53 C ATOM 733 C ARG A 47 2.714 56.857 52.804 1.00 63.22 C ATOM 734 O ARG A 47 3.307 56.293 53.724 1.00 44.11 O ATOM 735 CB ARG A 47 4.260 56.316 50.914 1.00 4.41 C ATOM 736 CG ARG A 47 3.411 55.391 50.057 1.00 55.52 C ATOM 737 CD ARG A 47 3.838 55.432 48.599 1.00 61.13 C ATOM 738 NE ARG A 47 3.092 54.478 47.783 1.00 33.31 N ATOM 739 CZ ARG A 47 3.492 54.065 46.585 1.00 74.51 C ATOM 740 NH1 ARG A 47 4.625 54.520 46.067 1.00 11.41 N ATOM 741 NH2 ARG A 47 2.758 53.195 45.903 1.00 72.15 N ATOM 0 H ARG A 47 4.947 58.295 52.793 1.00 4.14 H new ATOM 0 HA ARG A 47 2.729 57.823 50.897 1.00 62.53 H new ATOM 0 HB2 ARG A 47 5.031 56.769 50.290 1.00 4.41 H new ATOM 0 HB3 ARG A 47 4.771 55.725 51.674 1.00 4.41 H new ATOM 0 HG2 ARG A 47 3.491 54.371 50.432 1.00 55.52 H new ATOM 0 HG3 ARG A 47 2.363 55.679 50.138 1.00 55.52 H new ATOM 0 HD2 ARG A 47 3.690 56.438 48.206 1.00 61.13 H new ATOM 0 HD3 ARG A 47 4.904 55.215 48.527 1.00 61.13 H new ATOM 0 HE ARG A 47 2.216 54.109 48.153 1.00 33.31 H new ATOM 0 HH11 ARG A 47 5.192 55.189 46.588 1.00 11.41 H new ATOM 0 HH12 ARG A 47 4.930 54.201 45.147 1.00 11.41 H new ATOM 0 HH21 ARG A 47 1.886 52.843 46.298 1.00 72.15 H new ATOM 0 HH22 ARG A 47 3.066 52.878 44.983 1.00 72.15 H new ATOM 755 N PRO A 48 1.382 57.010 52.800 1.00 13.30 N ATOM 756 CA PRO A 48 0.526 56.520 53.886 1.00 60.31 C ATOM 757 C PRO A 48 0.450 54.998 53.921 1.00 1.31 C ATOM 758 O PRO A 48 0.248 54.401 54.980 1.00 61.55 O ATOM 759 CB PRO A 48 -0.844 57.117 53.554 1.00 12.02 C ATOM 760 CG PRO A 48 -0.817 57.332 52.080 1.00 3.44 C ATOM 761 CD PRO A 48 0.608 57.673 51.737 1.00 13.43 C ATOM 0 HA PRO A 48 0.905 56.808 54.866 1.00 60.31 H new ATOM 0 HB2 PRO A 48 -1.650 56.442 53.841 1.00 12.02 H new ATOM 0 HB3 PRO A 48 -1.008 58.053 54.088 1.00 12.02 H new ATOM 0 HG2 PRO A 48 -1.143 56.438 51.549 1.00 3.44 H new ATOM 0 HG3 PRO A 48 -1.492 58.138 51.791 1.00 3.44 H new ATOM 0 HD2 PRO A 48 0.883 57.303 50.749 1.00 13.43 H new ATOM 0 HD3 PRO A 48 0.773 58.750 51.732 1.00 13.43 H new ATOM 769 N ASP A 49 0.613 54.375 52.759 1.00 34.13 N ATOM 770 CA ASP A 49 0.562 52.921 52.658 1.00 45.45 C ATOM 771 C ASP A 49 1.816 52.291 53.261 1.00 73.51 C ATOM 772 O ASP A 49 1.729 51.400 54.104 1.00 52.33 O ATOM 773 CB ASP A 49 0.415 52.494 51.197 1.00 41.34 C ATOM 774 CG ASP A 49 0.512 50.992 51.019 1.00 54.11 C ATOM 775 OD1 ASP A 49 1.595 50.430 51.287 1.00 72.44 O ATOM 776 OD2 ASP A 49 -0.497 50.378 50.614 1.00 4.34 O ATOM 0 H ASP A 49 0.781 54.854 51.874 1.00 34.13 H new ATOM 0 HA ASP A 49 -0.305 52.573 53.219 1.00 45.45 H new ATOM 0 HB2 ASP A 49 -0.545 52.841 50.815 1.00 41.34 H new ATOM 0 HB3 ASP A 49 1.188 52.978 50.601 1.00 41.34 H new ATOM 781 N GLU A 50 2.979 52.761 52.819 1.00 75.04 N ATOM 782 CA GLU A 50 4.248 52.242 53.314 1.00 71.53 C ATOM 783 C GLU A 50 4.416 52.542 54.802 1.00 23.53 C ATOM 784 O GLU A 50 5.286 51.977 55.465 1.00 62.42 O ATOM 785 CB GLU A 50 5.413 52.846 52.527 1.00 70.21 C ATOM 786 CG GLU A 50 6.279 51.810 51.831 1.00 41.22 C ATOM 787 CD GLU A 50 6.871 52.321 50.533 1.00 24.31 C ATOM 788 OE1 GLU A 50 7.712 53.243 50.587 1.00 42.14 O ATOM 789 OE2 GLU A 50 6.494 51.801 49.462 1.00 64.10 O ATOM 0 H GLU A 50 3.068 53.499 52.120 1.00 75.04 H new ATOM 0 HA GLU A 50 4.247 51.161 53.177 1.00 71.53 H new ATOM 0 HB2 GLU A 50 5.018 53.537 51.782 1.00 70.21 H new ATOM 0 HB3 GLU A 50 6.035 53.430 53.205 1.00 70.21 H new ATOM 0 HG2 GLU A 50 7.085 51.508 52.499 1.00 41.22 H new ATOM 0 HG3 GLU A 50 5.683 50.920 51.628 1.00 41.22 H new ATOM 796 N PHE A 51 3.577 53.433 55.318 1.00 20.12 N ATOM 797 CA PHE A 51 3.633 53.810 56.725 1.00 14.54 C ATOM 798 C PHE A 51 3.844 52.583 57.608 1.00 34.24 C ATOM 799 O PHE A 51 4.602 52.623 58.577 1.00 73.11 O ATOM 800 CB PHE A 51 2.346 54.530 57.133 1.00 74.55 C ATOM 801 CG PHE A 51 1.296 53.614 57.691 1.00 15.03 C ATOM 802 CD1 PHE A 51 0.708 52.645 56.893 1.00 52.43 C ATOM 803 CD2 PHE A 51 0.895 53.721 59.013 1.00 54.00 C ATOM 804 CE1 PHE A 51 -0.258 51.800 57.404 1.00 1.55 C ATOM 805 CE2 PHE A 51 -0.071 52.877 59.530 1.00 43.04 C ATOM 806 CZ PHE A 51 -0.649 51.917 58.724 1.00 12.44 C ATOM 0 H PHE A 51 2.850 53.908 54.783 1.00 20.12 H new ATOM 0 HA PHE A 51 4.478 54.485 56.862 1.00 14.54 H new ATOM 0 HB2 PHE A 51 2.585 55.290 57.876 1.00 74.55 H new ATOM 0 HB3 PHE A 51 1.939 55.049 56.265 1.00 74.55 H new ATOM 0 HD1 PHE A 51 1.009 52.550 55.860 1.00 52.43 H new ATOM 0 HD2 PHE A 51 1.342 54.472 59.647 1.00 54.00 H new ATOM 0 HE1 PHE A 51 -0.707 51.048 56.772 1.00 1.55 H new ATOM 0 HE2 PHE A 51 -0.373 52.969 60.563 1.00 43.04 H new ATOM 0 HZ PHE A 51 -1.406 51.258 59.124 1.00 12.44 H new ATOM 816 N THR A 52 3.164 51.492 57.267 1.00 65.44 N ATOM 817 CA THR A 52 3.274 50.254 58.028 1.00 45.05 C ATOM 818 C THR A 52 4.659 49.636 57.874 1.00 3.15 C ATOM 819 O THR A 52 5.244 49.150 58.842 1.00 4.04 O ATOM 820 CB THR A 52 2.215 49.228 57.588 1.00 15.14 C ATOM 821 OG1 THR A 52 2.738 47.900 57.707 1.00 22.03 O ATOM 822 CG2 THR A 52 1.780 49.480 56.153 1.00 31.24 C ATOM 0 H THR A 52 2.531 51.441 56.469 1.00 65.44 H new ATOM 0 HA THR A 52 3.107 50.510 59.074 1.00 45.05 H new ATOM 0 HB THR A 52 1.347 49.335 58.238 1.00 15.14 H new ATOM 0 HG1 THR A 52 2.057 47.254 57.426 1.00 22.03 H new ATOM 0 HG21 THR A 52 1.031 48.742 55.865 1.00 31.24 H new ATOM 0 HG22 THR A 52 1.354 50.480 56.072 1.00 31.24 H new ATOM 0 HG23 THR A 52 2.643 49.399 55.492 1.00 31.24 H new ATOM 830 N ALA A 53 5.179 49.657 56.650 1.00 42.40 N ATOM 831 CA ALA A 53 6.496 49.100 56.370 1.00 43.32 C ATOM 832 C ALA A 53 7.502 49.502 57.444 1.00 43.41 C ATOM 833 O ALA A 53 8.576 48.910 57.556 1.00 12.15 O ATOM 834 CB ALA A 53 6.979 49.549 54.999 1.00 11.05 C ATOM 0 H ALA A 53 4.707 50.054 55.837 1.00 42.40 H new ATOM 0 HA ALA A 53 6.412 48.013 56.376 1.00 43.32 H new ATOM 0 HB1 ALA A 53 7.964 49.125 54.804 1.00 11.05 H new ATOM 0 HB2 ALA A 53 6.279 49.207 54.237 1.00 11.05 H new ATOM 0 HB3 ALA A 53 7.040 50.637 54.973 1.00 11.05 H new ATOM 840 N ARG A 54 7.148 50.512 58.231 1.00 65.41 N ATOM 841 CA ARG A 54 8.021 50.995 59.294 1.00 71.41 C ATOM 842 C ARG A 54 7.953 50.077 60.511 1.00 75.11 C ATOM 843 O ARG A 54 8.933 49.416 60.859 1.00 34.12 O ATOM 844 CB ARG A 54 7.633 52.420 59.694 1.00 11.21 C ATOM 845 CG ARG A 54 8.805 53.255 60.182 1.00 51.15 C ATOM 846 CD ARG A 54 9.372 54.123 59.070 1.00 44.40 C ATOM 847 NE ARG A 54 10.279 53.376 58.202 1.00 4.02 N ATOM 848 CZ ARG A 54 11.500 52.997 58.565 1.00 21.42 C ATOM 849 NH1 ARG A 54 11.957 53.294 59.773 1.00 52.21 N ATOM 850 NH2 ARG A 54 12.264 52.319 57.718 1.00 40.22 N ATOM 0 H ARG A 54 6.262 51.012 58.153 1.00 65.41 H new ATOM 0 HA ARG A 54 9.044 50.997 58.918 1.00 71.41 H new ATOM 0 HB2 ARG A 54 7.175 52.917 58.839 1.00 11.21 H new ATOM 0 HB3 ARG A 54 6.878 52.375 60.479 1.00 11.21 H new ATOM 0 HG2 ARG A 54 8.483 53.887 61.010 1.00 51.15 H new ATOM 0 HG3 ARG A 54 9.586 52.599 60.567 1.00 51.15 H new ATOM 0 HD2 ARG A 54 8.554 54.530 58.475 1.00 44.40 H new ATOM 0 HD3 ARG A 54 9.902 54.970 59.506 1.00 44.40 H new ATOM 0 HE ARG A 54 9.957 53.132 57.265 1.00 4.02 H new ATOM 0 HH11 ARG A 54 11.371 53.814 60.426 1.00 52.21 H new ATOM 0 HH12 ARG A 54 12.894 53.002 60.050 1.00 52.21 H new ATOM 0 HH21 ARG A 54 11.914 52.089 56.788 1.00 40.22 H new ATOM 0 HH22 ARG A 54 13.201 52.028 57.997 1.00 40.22 H new ATOM 864 N LEU A 55 6.791 50.042 61.155 1.00 44.23 N ATOM 865 CA LEU A 55 6.596 49.205 62.334 1.00 14.13 C ATOM 866 C LEU A 55 6.278 47.768 61.935 1.00 14.31 C ATOM 867 O LEU A 55 6.359 46.855 62.756 1.00 4.13 O ATOM 868 CB LEU A 55 5.467 49.767 63.201 1.00 63.32 C ATOM 869 CG LEU A 55 4.050 49.590 62.655 1.00 14.51 C ATOM 870 CD1 LEU A 55 3.896 50.309 61.325 1.00 24.00 C ATOM 871 CD2 LEU A 55 3.718 48.112 62.506 1.00 61.30 C ATOM 0 H LEU A 55 5.971 50.583 60.881 1.00 44.23 H new ATOM 0 HA LEU A 55 7.523 49.207 62.908 1.00 14.13 H new ATOM 0 HB2 LEU A 55 5.519 49.294 64.181 1.00 63.32 H new ATOM 0 HB3 LEU A 55 5.647 50.832 63.351 1.00 63.32 H new ATOM 0 HG LEU A 55 3.350 50.030 63.365 1.00 14.51 H new ATOM 0 HD11 LEU A 55 2.881 50.171 60.952 1.00 24.00 H new ATOM 0 HD12 LEU A 55 4.091 51.373 61.462 1.00 24.00 H new ATOM 0 HD13 LEU A 55 4.605 49.899 60.606 1.00 24.00 H new ATOM 0 HD21 LEU A 55 2.706 48.004 62.116 1.00 61.30 H new ATOM 0 HD22 LEU A 55 4.424 47.648 61.817 1.00 61.30 H new ATOM 0 HD23 LEU A 55 3.786 47.624 63.478 1.00 61.30 H new ATOM 883 N GLN A 56 5.919 47.575 60.670 1.00 71.13 N ATOM 884 CA GLN A 56 5.591 46.248 60.163 1.00 51.04 C ATOM 885 C GLN A 56 6.588 45.211 60.668 1.00 74.02 C ATOM 886 O GLN A 56 6.255 44.035 60.809 1.00 23.35 O ATOM 887 CB GLN A 56 5.574 46.254 58.633 1.00 55.34 C ATOM 888 CG GLN A 56 6.959 46.208 58.009 1.00 61.30 C ATOM 889 CD GLN A 56 6.958 45.570 56.634 1.00 72.51 C ATOM 890 OE1 GLN A 56 6.403 44.489 56.438 1.00 72.00 O ATOM 891 NE2 GLN A 56 7.581 46.240 55.670 1.00 3.51 N ATOM 0 H GLN A 56 5.848 48.321 59.978 1.00 71.13 H new ATOM 0 HA GLN A 56 4.600 45.981 60.530 1.00 51.04 H new ATOM 0 HB2 GLN A 56 4.997 45.399 58.281 1.00 55.34 H new ATOM 0 HB3 GLN A 56 5.058 47.150 58.287 1.00 55.34 H new ATOM 0 HG2 GLN A 56 7.354 47.221 57.935 1.00 61.30 H new ATOM 0 HG3 GLN A 56 7.630 45.651 58.663 1.00 61.30 H new ATOM 0 HE21 GLN A 56 8.028 47.133 55.877 1.00 3.51 H new ATOM 0 HE22 GLN A 56 7.612 45.861 54.724 1.00 3.51 H new ATOM 900 N GLN A 57 7.811 45.655 60.938 1.00 73.30 N ATOM 901 CA GLN A 57 8.857 44.764 61.426 1.00 31.00 C ATOM 902 C GLN A 57 8.713 44.526 62.927 1.00 30.44 C ATOM 903 O GLN A 57 8.951 43.423 63.415 1.00 10.43 O ATOM 904 CB GLN A 57 10.237 45.347 61.120 1.00 14.31 C ATOM 905 CG GLN A 57 10.746 45.007 59.729 1.00 70.12 C ATOM 906 CD GLN A 57 12.126 44.380 59.749 1.00 51.42 C ATOM 907 OE1 GLN A 57 12.287 43.219 60.124 1.00 23.33 O ATOM 908 NE2 GLN A 57 13.132 45.148 59.345 1.00 1.25 N ATOM 0 H GLN A 57 8.102 46.626 60.827 1.00 73.30 H new ATOM 0 HA GLN A 57 8.753 43.808 60.913 1.00 31.00 H new ATOM 0 HB2 GLN A 57 10.196 46.431 61.228 1.00 14.31 H new ATOM 0 HB3 GLN A 57 10.949 44.979 61.858 1.00 14.31 H new ATOM 0 HG2 GLN A 57 10.047 44.323 59.248 1.00 70.12 H new ATOM 0 HG3 GLN A 57 10.772 45.913 59.124 1.00 70.12 H new ATOM 0 HE21 GLN A 57 12.953 46.105 59.042 1.00 1.25 H new ATOM 0 HE22 GLN A 57 14.083 44.780 59.338 1.00 1.25 H new ATOM 917 N SER A 58 8.321 45.569 63.651 1.00 64.34 N ATOM 918 CA SER A 58 8.150 45.475 65.096 1.00 61.23 C ATOM 919 C SER A 58 6.912 44.655 65.443 1.00 11.51 C ATOM 920 O SER A 58 7.008 43.600 66.074 1.00 62.44 O ATOM 921 CB SER A 58 8.037 46.872 65.709 1.00 62.15 C ATOM 922 OG SER A 58 9.292 47.532 65.710 1.00 64.54 O ATOM 0 H SER A 58 8.116 46.489 63.261 1.00 64.34 H new ATOM 0 HA SER A 58 9.025 44.974 65.509 1.00 61.23 H new ATOM 0 HB2 SER A 58 7.313 47.462 65.147 1.00 62.15 H new ATOM 0 HB3 SER A 58 7.662 46.795 66.730 1.00 62.15 H new ATOM 0 HG SER A 58 9.193 48.423 66.105 1.00 64.54 H new ATOM 928 N THR A 59 5.748 45.145 65.028 1.00 2.45 N ATOM 929 CA THR A 59 4.491 44.458 65.296 1.00 73.24 C ATOM 930 C THR A 59 4.616 42.961 65.038 1.00 15.44 C ATOM 931 O THR A 59 3.835 42.165 65.559 1.00 12.43 O ATOM 932 CB THR A 59 3.348 45.023 64.432 1.00 72.13 C ATOM 933 OG1 THR A 59 2.085 44.573 64.935 1.00 23.13 O ATOM 934 CG2 THR A 59 3.503 44.593 62.980 1.00 12.50 C ATOM 0 H THR A 59 5.650 46.015 64.505 1.00 2.45 H new ATOM 0 HA THR A 59 4.258 44.624 66.348 1.00 73.24 H new ATOM 0 HB THR A 59 3.391 46.111 64.479 1.00 72.13 H new ATOM 0 HG1 THR A 59 1.364 44.938 64.381 1.00 23.13 H new ATOM 0 HG21 THR A 59 2.684 45.004 62.389 1.00 12.50 H new ATOM 0 HG22 THR A 59 4.452 44.962 62.591 1.00 12.50 H new ATOM 0 HG23 THR A 59 3.484 43.505 62.919 1.00 12.50 H new ATOM 942 N ASP A 60 5.603 42.585 64.232 1.00 34.05 N ATOM 943 CA ASP A 60 5.831 41.182 63.907 1.00 4.02 C ATOM 944 C ASP A 60 6.062 40.361 65.172 1.00 1.32 C ATOM 945 O ASP A 60 5.495 39.282 65.335 1.00 30.05 O ATOM 946 CB ASP A 60 7.031 41.043 62.968 1.00 33.04 C ATOM 947 CG ASP A 60 6.677 40.326 61.679 1.00 15.42 C ATOM 948 OD1 ASP A 60 5.522 40.460 61.224 1.00 62.31 O ATOM 949 OD2 ASP A 60 7.556 39.632 61.127 1.00 10.33 O ATOM 0 H ASP A 60 6.258 43.232 63.792 1.00 34.05 H new ATOM 0 HA ASP A 60 4.941 40.801 63.406 1.00 4.02 H new ATOM 0 HB2 ASP A 60 7.422 42.033 62.734 1.00 33.04 H new ATOM 0 HB3 ASP A 60 7.826 40.498 63.477 1.00 33.04 H new ATOM 954 N ALA A 61 6.899 40.880 66.064 1.00 43.20 N ATOM 955 CA ALA A 61 7.205 40.196 67.314 1.00 33.22 C ATOM 956 C ALA A 61 5.934 39.919 68.112 1.00 44.34 C ATOM 957 O ALA A 61 5.710 38.798 68.571 1.00 63.12 O ATOM 958 CB ALA A 61 8.180 41.020 68.141 1.00 43.52 C ATOM 0 H ALA A 61 7.378 41.773 65.944 1.00 43.20 H new ATOM 0 HA ALA A 61 7.668 39.239 67.073 1.00 33.22 H new ATOM 0 HB1 ALA A 61 8.400 40.497 69.072 1.00 43.52 H new ATOM 0 HB2 ALA A 61 9.103 41.164 67.579 1.00 43.52 H new ATOM 0 HB3 ALA A 61 7.737 41.990 68.366 1.00 43.52 H new ATOM 964 N LEU A 62 5.108 40.945 68.274 1.00 70.51 N ATOM 965 CA LEU A 62 3.860 40.812 69.018 1.00 10.22 C ATOM 966 C LEU A 62 2.855 39.960 68.248 1.00 61.31 C ATOM 967 O LEU A 62 2.065 39.226 68.841 1.00 75.42 O ATOM 968 CB LEU A 62 3.263 42.191 69.303 1.00 74.24 C ATOM 969 CG LEU A 62 2.406 42.304 70.564 1.00 54.02 C ATOM 970 CD1 LEU A 62 2.671 43.623 71.273 1.00 50.40 C ATOM 971 CD2 LEU A 62 0.930 42.168 70.220 1.00 74.54 C ATOM 0 H LEU A 62 5.279 41.879 67.901 1.00 70.51 H new ATOM 0 HA LEU A 62 4.081 40.316 69.963 1.00 10.22 H new ATOM 0 HB2 LEU A 62 4.079 42.910 69.377 1.00 74.24 H new ATOM 0 HB3 LEU A 62 2.655 42.486 68.447 1.00 74.24 H new ATOM 0 HG LEU A 62 2.677 41.492 71.238 1.00 54.02 H new ATOM 0 HD11 LEU A 62 2.052 43.686 72.168 1.00 50.40 H new ATOM 0 HD12 LEU A 62 3.723 43.680 71.554 1.00 50.40 H new ATOM 0 HD13 LEU A 62 2.428 44.450 70.606 1.00 50.40 H new ATOM 0 HD21 LEU A 62 0.335 42.251 71.130 1.00 74.54 H new ATOM 0 HD22 LEU A 62 0.644 42.958 69.526 1.00 74.54 H new ATOM 0 HD23 LEU A 62 0.752 41.197 69.758 1.00 74.54 H new ATOM 983 N TYR A 63 2.893 40.062 66.924 1.00 42.21 N ATOM 984 CA TYR A 63 1.987 39.300 66.073 1.00 72.35 C ATOM 985 C TYR A 63 2.275 37.805 66.169 1.00 34.21 C ATOM 986 O TYR A 63 1.364 36.998 66.351 1.00 30.04 O ATOM 987 CB TYR A 63 2.110 39.762 64.619 1.00 50.21 C ATOM 988 CG TYR A 63 2.133 38.626 63.623 1.00 4.03 C ATOM 989 CD1 TYR A 63 3.313 37.948 63.339 1.00 32.31 C ATOM 990 CD2 TYR A 63 0.975 38.229 62.965 1.00 62.14 C ATOM 991 CE1 TYR A 63 3.339 36.910 62.429 1.00 31.14 C ATOM 992 CE2 TYR A 63 0.992 37.190 62.053 1.00 55.15 C ATOM 993 CZ TYR A 63 2.175 36.534 61.789 1.00 45.34 C ATOM 994 OH TYR A 63 2.196 35.499 60.881 1.00 74.23 O ATOM 0 H TYR A 63 3.541 40.665 66.417 1.00 42.21 H new ATOM 0 HA TYR A 63 0.969 39.478 66.420 1.00 72.35 H new ATOM 0 HB2 TYR A 63 1.275 40.423 64.385 1.00 50.21 H new ATOM 0 HB3 TYR A 63 3.022 40.349 64.509 1.00 50.21 H new ATOM 0 HD1 TYR A 63 4.225 38.238 63.839 1.00 32.31 H new ATOM 0 HD2 TYR A 63 0.046 38.741 63.170 1.00 62.14 H new ATOM 0 HE1 TYR A 63 4.265 36.395 62.219 1.00 31.14 H new ATOM 0 HE2 TYR A 63 0.083 36.894 61.550 1.00 55.15 H new ATOM 0 HH TYR A 63 1.295 35.361 60.522 1.00 74.23 H new ATOM 1004 N SER A 64 3.548 37.445 66.047 1.00 64.22 N ATOM 1005 CA SER A 64 3.957 36.048 66.117 1.00 4.33 C ATOM 1006 C SER A 64 3.907 35.538 67.554 1.00 20.34 C ATOM 1007 O SER A 64 3.472 34.416 67.811 1.00 13.04 O ATOM 1008 CB SER A 64 5.370 35.879 65.554 1.00 23.43 C ATOM 1009 OG SER A 64 5.547 34.588 64.996 1.00 34.24 O ATOM 0 H SER A 64 4.314 38.102 65.899 1.00 64.22 H new ATOM 0 HA SER A 64 3.261 35.462 65.517 1.00 4.33 H new ATOM 0 HB2 SER A 64 5.554 36.636 64.792 1.00 23.43 H new ATOM 0 HB3 SER A 64 6.102 36.040 66.346 1.00 23.43 H new ATOM 0 HG SER A 64 6.457 34.507 64.642 1.00 34.24 H new ATOM 1015 N HIS A 65 4.355 36.372 68.487 1.00 52.11 N ATOM 1016 CA HIS A 65 4.361 36.007 69.899 1.00 62.24 C ATOM 1017 C HIS A 65 2.960 35.624 70.367 1.00 55.00 C ATOM 1018 O HIS A 65 2.784 34.649 71.100 1.00 25.40 O ATOM 1019 CB HIS A 65 4.895 37.165 70.744 1.00 2.44 C ATOM 1020 CG HIS A 65 4.907 36.877 72.214 1.00 20.22 C ATOM 1021 ND1 HIS A 65 4.155 37.588 73.126 1.00 5.13 N ATOM 1022 CD2 HIS A 65 5.584 35.948 72.929 1.00 33.43 C ATOM 1023 CE1 HIS A 65 4.371 37.109 74.339 1.00 23.43 C ATOM 1024 NE2 HIS A 65 5.233 36.113 74.246 1.00 55.12 N ATOM 0 H HIS A 65 4.718 37.305 68.291 1.00 52.11 H new ATOM 0 HA HIS A 65 5.015 35.144 70.023 1.00 62.24 H new ATOM 0 HB2 HIS A 65 5.908 37.403 70.420 1.00 2.44 H new ATOM 0 HB3 HIS A 65 4.285 38.050 70.560 1.00 2.44 H new ATOM 0 HD2 HIS A 65 6.272 35.214 72.537 1.00 33.43 H new ATOM 0 HE1 HIS A 65 3.919 37.471 75.251 1.00 23.43 H new ATOM 0 HE2 HIS A 65 5.582 35.556 75.026 1.00 55.12 H new ATOM 1032 N LEU A 66 1.967 36.397 69.941 1.00 63.21 N ATOM 1033 CA LEU A 66 0.581 36.138 70.316 1.00 51.14 C ATOM 1034 C LEU A 66 0.041 34.910 69.591 1.00 74.41 C ATOM 1035 O LEU A 66 -0.384 33.943 70.222 1.00 23.11 O ATOM 1036 CB LEU A 66 -0.288 37.356 69.999 1.00 71.41 C ATOM 1037 CG LEU A 66 -1.634 37.427 70.723 1.00 62.15 C ATOM 1038 CD1 LEU A 66 -1.495 38.186 72.033 1.00 55.43 C ATOM 1039 CD2 LEU A 66 -2.684 38.079 69.836 1.00 25.43 C ATOM 0 H LEU A 66 2.096 37.208 69.336 1.00 63.21 H new ATOM 0 HA LEU A 66 0.549 35.946 71.388 1.00 51.14 H new ATOM 0 HB2 LEU A 66 0.279 38.255 70.240 1.00 71.41 H new ATOM 0 HB3 LEU A 66 -0.474 37.375 68.925 1.00 71.41 H new ATOM 0 HG LEU A 66 -1.958 36.411 70.947 1.00 62.15 H new ATOM 0 HD11 LEU A 66 -2.462 38.227 72.534 1.00 55.43 H new ATOM 0 HD12 LEU A 66 -0.775 37.677 72.674 1.00 55.43 H new ATOM 0 HD13 LEU A 66 -1.148 39.199 71.831 1.00 55.43 H new ATOM 0 HD21 LEU A 66 -3.635 38.121 70.368 1.00 25.43 H new ATOM 0 HD22 LEU A 66 -2.367 39.090 69.580 1.00 25.43 H new ATOM 0 HD23 LEU A 66 -2.804 37.494 68.924 1.00 25.43 H new ATOM 1051 N GLU A 67 0.061 34.957 68.263 1.00 31.43 N ATOM 1052 CA GLU A 67 -0.427 33.847 67.453 1.00 44.22 C ATOM 1053 C GLU A 67 0.285 32.549 67.824 1.00 33.21 C ATOM 1054 O GLU A 67 -0.285 31.464 67.715 1.00 0.14 O ATOM 1055 CB GLU A 67 -0.225 34.145 65.966 1.00 3.24 C ATOM 1056 CG GLU A 67 -1.096 33.298 65.052 1.00 63.34 C ATOM 1057 CD GLU A 67 -0.423 32.987 63.729 1.00 32.01 C ATOM 1058 OE1 GLU A 67 0.317 33.856 63.221 1.00 40.24 O ATOM 1059 OE2 GLU A 67 -0.637 31.876 63.201 1.00 63.13 O ATOM 0 H GLU A 67 0.409 35.751 67.726 1.00 31.43 H new ATOM 0 HA GLU A 67 -1.492 33.727 67.651 1.00 44.22 H new ATOM 0 HB2 GLU A 67 -0.437 35.198 65.783 1.00 3.24 H new ATOM 0 HB3 GLU A 67 0.822 33.982 65.710 1.00 3.24 H new ATOM 0 HG2 GLU A 67 -1.346 32.365 65.557 1.00 63.34 H new ATOM 0 HG3 GLU A 67 -2.034 33.820 64.864 1.00 63.34 H new ATOM 1066 N ALA A 68 1.534 32.669 68.262 1.00 73.32 N ATOM 1067 CA ALA A 68 2.322 31.507 68.652 1.00 64.43 C ATOM 1068 C ALA A 68 2.012 31.087 70.084 1.00 62.03 C ATOM 1069 O ALA A 68 1.571 29.965 70.328 1.00 55.11 O ATOM 1070 CB ALA A 68 3.808 31.802 68.496 1.00 35.45 C ATOM 0 H ALA A 68 2.022 33.560 68.356 1.00 73.32 H new ATOM 0 HA ALA A 68 2.054 30.680 67.994 1.00 64.43 H new ATOM 0 HB1 ALA A 68 4.386 30.926 68.791 1.00 35.45 H new ATOM 0 HB2 ALA A 68 4.023 32.046 67.456 1.00 35.45 H new ATOM 0 HB3 ALA A 68 4.080 32.646 69.130 1.00 35.45 H new ATOM 1076 N GLN A 69 2.246 31.995 71.026 1.00 62.31 N ATOM 1077 CA GLN A 69 1.992 31.716 72.435 1.00 64.14 C ATOM 1078 C GLN A 69 0.496 31.583 72.702 1.00 42.24 C ATOM 1079 O GLN A 69 0.036 30.561 73.208 1.00 12.45 O ATOM 1080 CB GLN A 69 2.582 32.824 73.310 1.00 4.43 C ATOM 1081 CG GLN A 69 3.152 32.320 74.626 1.00 34.01 C ATOM 1082 CD GLN A 69 2.346 32.782 75.825 1.00 70.30 C ATOM 1083 OE1 GLN A 69 2.132 33.980 76.019 1.00 11.33 O ATOM 1084 NE2 GLN A 69 1.895 31.834 76.637 1.00 23.01 N ATOM 0 H GLN A 69 2.611 32.929 70.840 1.00 62.31 H new ATOM 0 HA GLN A 69 2.473 30.770 72.685 1.00 64.14 H new ATOM 0 HB2 GLN A 69 3.369 33.334 72.754 1.00 4.43 H new ATOM 0 HB3 GLN A 69 1.808 33.563 73.518 1.00 4.43 H new ATOM 0 HG2 GLN A 69 3.182 31.231 74.611 1.00 34.01 H new ATOM 0 HG3 GLN A 69 4.180 32.666 74.729 1.00 34.01 H new ATOM 0 HE21 GLN A 69 2.096 30.854 76.438 1.00 23.01 H new ATOM 0 HE22 GLN A 69 1.347 32.085 77.460 1.00 23.01 H new ATOM 1093 N TRP A 70 -0.255 32.623 72.359 1.00 12.12 N ATOM 1094 CA TRP A 70 -1.699 32.622 72.562 1.00 50.11 C ATOM 1095 C TRP A 70 -2.335 31.381 71.945 1.00 72.43 C ATOM 1096 O TRP A 70 -3.414 30.956 72.355 1.00 10.44 O ATOM 1097 CB TRP A 70 -2.321 33.883 71.960 1.00 33.14 C ATOM 1098 CG TRP A 70 -3.596 34.296 72.632 1.00 3.51 C ATOM 1099 CD1 TRP A 70 -3.727 35.166 73.675 1.00 55.41 C ATOM 1100 CD2 TRP A 70 -4.918 33.854 72.307 1.00 21.15 C ATOM 1101 NE1 TRP A 70 -5.052 35.292 74.020 1.00 24.50 N ATOM 1102 CE2 TRP A 70 -5.802 34.497 73.194 1.00 34.23 C ATOM 1103 CE3 TRP A 70 -5.441 32.978 71.351 1.00 72.34 C ATOM 1104 CZ2 TRP A 70 -7.178 34.291 73.153 1.00 74.40 C ATOM 1105 CZ3 TRP A 70 -6.807 32.774 71.312 1.00 1.40 C ATOM 1106 CH2 TRP A 70 -7.664 33.428 72.208 1.00 65.21 C ATOM 0 H TRP A 70 0.112 33.477 71.939 1.00 12.12 H new ATOM 0 HA TRP A 70 -1.890 32.609 73.635 1.00 50.11 H new ATOM 0 HB2 TRP A 70 -1.603 34.700 72.026 1.00 33.14 H new ATOM 0 HB3 TRP A 70 -2.515 33.714 70.901 1.00 33.14 H new ATOM 0 HD1 TRP A 70 -2.910 35.680 74.159 1.00 55.41 H new ATOM 0 HE1 TRP A 70 -5.417 35.881 74.769 1.00 24.50 H new ATOM 0 HE3 TRP A 70 -4.789 32.470 70.656 1.00 72.34 H new ATOM 0 HZ2 TRP A 70 -7.839 34.794 73.843 1.00 74.40 H new ATOM 0 HZ3 TRP A 70 -7.222 32.099 70.578 1.00 1.40 H new ATOM 0 HH2 TRP A 70 -8.727 33.248 72.152 1.00 65.21 H new ATOM 1117 N ALA A 71 -1.660 30.807 70.955 1.00 2.54 N ATOM 1118 CA ALA A 71 -2.158 29.613 70.282 1.00 34.42 C ATOM 1119 C ALA A 71 -2.646 28.577 71.290 1.00 73.23 C ATOM 1120 O ALA A 71 -3.737 28.024 71.150 1.00 42.23 O ATOM 1121 CB ALA A 71 -1.078 29.018 69.392 1.00 21.22 C ATOM 0 H ALA A 71 -0.767 31.149 70.601 1.00 2.54 H new ATOM 0 HA ALA A 71 -3.005 29.904 69.661 1.00 34.42 H new ATOM 0 HB1 ALA A 71 -1.465 28.127 68.896 1.00 21.22 H new ATOM 0 HB2 ALA A 71 -0.780 29.751 68.642 1.00 21.22 H new ATOM 0 HB3 ALA A 71 -0.214 28.749 69.999 1.00 21.22 H new ATOM 1127 N LYS A 72 -1.831 28.319 72.308 1.00 25.34 N ATOM 1128 CA LYS A 72 -2.178 27.351 73.340 1.00 3.14 C ATOM 1129 C LYS A 72 -3.638 27.500 73.757 1.00 50.30 C ATOM 1130 O LYS A 72 -4.279 26.529 74.158 1.00 21.51 O ATOM 1131 CB LYS A 72 -1.268 27.524 74.557 1.00 52.41 C ATOM 1132 CG LYS A 72 -0.070 26.591 74.560 1.00 5.52 C ATOM 1133 CD LYS A 72 1.162 27.261 73.974 1.00 75.54 C ATOM 1134 CE LYS A 72 1.231 27.081 72.466 1.00 35.23 C ATOM 1135 NZ LYS A 72 1.888 25.798 72.091 1.00 1.22 N ATOM 0 H LYS A 72 -0.925 28.768 72.439 1.00 25.34 H new ATOM 0 HA LYS A 72 -2.037 26.352 72.928 1.00 3.14 H new ATOM 0 HB2 LYS A 72 -0.915 28.555 74.592 1.00 52.41 H new ATOM 0 HB3 LYS A 72 -1.851 27.356 75.463 1.00 52.41 H new ATOM 0 HG2 LYS A 72 0.140 26.271 75.581 1.00 5.52 H new ATOM 0 HG3 LYS A 72 -0.305 25.694 73.986 1.00 5.52 H new ATOM 0 HD2 LYS A 72 1.148 28.324 74.214 1.00 75.54 H new ATOM 0 HD3 LYS A 72 2.058 26.842 74.433 1.00 75.54 H new ATOM 0 HE2 LYS A 72 0.224 27.109 72.050 1.00 35.23 H new ATOM 0 HE3 LYS A 72 1.780 27.913 72.026 1.00 35.23 H new ATOM 0 HZ1 LYS A 72 1.916 25.712 71.055 1.00 1.22 H new ATOM 0 HZ2 LYS A 72 2.858 25.782 72.466 1.00 1.22 H new ATOM 0 HZ3 LYS A 72 1.350 25.003 72.490 1.00 1.22 H new ATOM 1149 N GLN A 73 -4.155 28.720 73.659 1.00 50.21 N ATOM 1150 CA GLN A 73 -5.538 28.995 74.026 1.00 20.35 C ATOM 1151 C GLN A 73 -6.493 28.067 73.281 1.00 74.20 C ATOM 1152 O GLN A 73 -7.243 27.308 73.895 1.00 11.03 O ATOM 1153 CB GLN A 73 -5.889 30.453 73.726 1.00 64.02 C ATOM 1154 CG GLN A 73 -5.242 31.443 74.682 1.00 42.40 C ATOM 1155 CD GLN A 73 -6.013 31.591 75.978 1.00 1.41 C ATOM 1156 OE1 GLN A 73 -7.186 31.967 75.977 1.00 62.34 O ATOM 1157 NE2 GLN A 73 -5.358 31.295 77.095 1.00 12.04 N ATOM 0 H GLN A 73 -3.637 29.534 73.328 1.00 50.21 H new ATOM 0 HA GLN A 73 -5.645 28.816 75.096 1.00 20.35 H new ATOM 0 HB2 GLN A 73 -5.582 30.690 72.707 1.00 64.02 H new ATOM 0 HB3 GLN A 73 -6.971 30.574 73.768 1.00 64.02 H new ATOM 0 HG2 GLN A 73 -4.226 31.117 74.903 1.00 42.40 H new ATOM 0 HG3 GLN A 73 -5.166 32.416 74.196 1.00 42.40 H new ATOM 0 HE21 GLN A 73 -4.387 30.987 77.050 1.00 12.04 H new ATOM 0 HE22 GLN A 73 -5.826 31.376 77.997 1.00 12.04 H new ATOM 1166 N HIS A 74 -6.461 28.135 71.954 1.00 2.32 N ATOM 1167 CA HIS A 74 -7.324 27.300 71.125 1.00 23.01 C ATOM 1168 C HIS A 74 -6.532 26.663 69.987 1.00 20.22 C ATOM 1169 O HIS A 74 -6.568 25.448 69.796 1.00 12.42 O ATOM 1170 CB HIS A 74 -8.477 28.128 70.557 1.00 30.21 C ATOM 1171 CG HIS A 74 -9.735 28.034 71.364 1.00 21.33 C ATOM 1172 ND1 HIS A 74 -10.963 27.741 70.810 1.00 35.42 N ATOM 1173 CD2 HIS A 74 -9.951 28.193 72.691 1.00 63.32 C ATOM 1174 CE1 HIS A 74 -11.881 27.726 71.761 1.00 74.33 C ATOM 1175 NE2 HIS A 74 -11.292 27.997 72.912 1.00 22.24 N ATOM 0 H HIS A 74 -5.848 28.759 71.430 1.00 2.32 H new ATOM 0 HA HIS A 74 -7.730 26.506 71.751 1.00 23.01 H new ATOM 0 HB2 HIS A 74 -8.170 29.172 70.499 1.00 30.21 H new ATOM 0 HB3 HIS A 74 -8.683 27.799 69.538 1.00 30.21 H new ATOM 0 HD2 HIS A 74 -9.207 28.430 73.437 1.00 63.32 H new ATOM 0 HE1 HIS A 74 -12.933 27.526 71.621 1.00 74.33 H new ATOM 0 HE2 HIS A 74 -11.758 28.052 73.818 1.00 22.24 H new ATOM 1183 N GLY A 75 -5.817 27.491 69.232 1.00 72.44 N ATOM 1184 CA GLY A 75 -5.028 26.990 68.122 1.00 51.33 C ATOM 1185 C GLY A 75 -5.648 27.312 66.777 1.00 12.00 C ATOM 1186 O GLY A 75 -4.944 27.451 65.777 1.00 33.20 O ATOM 0 H GLY A 75 -5.770 28.501 69.369 1.00 72.44 H new ATOM 0 HA2 GLY A 75 -4.027 27.419 68.169 1.00 51.33 H new ATOM 0 HA3 GLY A 75 -4.917 25.910 68.218 1.00 51.33 H new ATOM 1190 N THR A 76 -6.972 27.429 66.751 1.00 21.15 N ATOM 1191 CA THR A 76 -7.689 27.732 65.519 1.00 31.31 C ATOM 1192 C THR A 76 -7.852 29.237 65.334 1.00 12.43 C ATOM 1193 O THR A 76 -7.652 29.779 64.248 1.00 34.44 O ATOM 1194 CB THR A 76 -9.080 27.070 65.500 1.00 65.53 C ATOM 1195 OG1 THR A 76 -10.095 28.069 65.355 1.00 31.53 O ATOM 1196 CG2 THR A 76 -9.319 26.277 66.775 1.00 33.01 C ATOM 0 H THR A 76 -7.570 27.318 67.570 1.00 21.15 H new ATOM 0 HA THR A 76 -7.093 27.330 64.700 1.00 31.31 H new ATOM 0 HB THR A 76 -9.121 26.385 64.653 1.00 65.53 H new ATOM 0 HG1 THR A 76 -10.976 27.640 65.342 1.00 31.53 H new ATOM 0 HG21 THR A 76 -10.307 25.819 66.739 1.00 33.01 H new ATOM 0 HG22 THR A 76 -8.561 25.499 66.867 1.00 33.01 H new ATOM 0 HG23 THR A 76 -9.260 26.944 67.635 1.00 33.01 H new ATOM 1204 N PRO A 77 -8.224 29.930 66.421 1.00 41.55 N ATOM 1205 CA PRO A 77 -8.421 31.382 66.405 1.00 43.31 C ATOM 1206 C PRO A 77 -7.109 32.144 66.247 1.00 3.21 C ATOM 1207 O PRO A 77 -7.071 33.263 65.736 1.00 62.41 O ATOM 1208 CB PRO A 77 -9.046 31.670 67.772 1.00 60.25 C ATOM 1209 CG PRO A 77 -8.584 30.554 68.643 1.00 12.52 C ATOM 1210 CD PRO A 77 -8.480 29.349 67.750 1.00 5.21 C ATOM 0 HA PRO A 77 -9.037 31.701 65.564 1.00 43.31 H new ATOM 0 HB2 PRO A 77 -8.721 32.635 68.160 1.00 60.25 H new ATOM 0 HB3 PRO A 77 -10.134 31.700 67.711 1.00 60.25 H new ATOM 0 HG2 PRO A 77 -7.621 30.787 69.098 1.00 12.52 H new ATOM 0 HG3 PRO A 77 -9.287 30.377 69.457 1.00 12.52 H new ATOM 0 HD2 PRO A 77 -7.672 28.687 68.061 1.00 5.21 H new ATOM 0 HD3 PRO A 77 -9.397 28.760 67.761 1.00 5.21 H new ATOM 1218 N PRO A 78 -6.007 31.524 66.696 1.00 61.32 N ATOM 1219 CA PRO A 78 -4.673 32.125 66.613 1.00 53.23 C ATOM 1220 C PRO A 78 -4.161 32.209 65.180 1.00 15.04 C ATOM 1221 O PRO A 78 -3.656 31.229 64.632 1.00 70.44 O ATOM 1222 CB PRO A 78 -3.803 31.172 67.437 1.00 41.31 C ATOM 1223 CG PRO A 78 -4.512 29.864 67.374 1.00 12.13 C ATOM 1224 CD PRO A 78 -5.978 30.189 67.316 1.00 32.12 C ATOM 0 HA PRO A 78 -4.667 33.153 66.976 1.00 53.23 H new ATOM 0 HB2 PRO A 78 -2.797 31.097 67.024 1.00 41.31 H new ATOM 0 HB3 PRO A 78 -3.701 31.518 68.466 1.00 41.31 H new ATOM 0 HG2 PRO A 78 -4.204 29.295 66.497 1.00 12.13 H new ATOM 0 HG3 PRO A 78 -4.282 29.253 68.247 1.00 12.13 H new ATOM 0 HD2 PRO A 78 -6.528 29.459 66.723 1.00 32.12 H new ATOM 0 HD3 PRO A 78 -6.427 30.197 68.309 1.00 32.12 H new ATOM 1232 N THR A 79 -4.295 33.386 64.576 1.00 61.54 N ATOM 1233 CA THR A 79 -3.847 33.597 63.206 1.00 30.54 C ATOM 1234 C THR A 79 -3.795 35.082 62.867 1.00 72.03 C ATOM 1235 O THR A 79 -4.398 35.907 63.554 1.00 61.44 O ATOM 1236 CB THR A 79 -4.769 32.885 62.197 1.00 42.33 C ATOM 1237 OG1 THR A 79 -5.060 31.559 62.652 1.00 52.22 O ATOM 1238 CG2 THR A 79 -4.121 32.824 60.822 1.00 35.21 C ATOM 0 H THR A 79 -4.711 34.208 65.015 1.00 61.54 H new ATOM 0 HA THR A 79 -2.845 33.174 63.133 1.00 30.54 H new ATOM 0 HB THR A 79 -5.695 33.454 62.120 1.00 42.33 H new ATOM 0 HG1 THR A 79 -4.278 31.194 63.116 1.00 52.22 H new ATOM 0 HG21 THR A 79 -4.790 32.317 60.127 1.00 35.21 H new ATOM 0 HG22 THR A 79 -3.926 33.836 60.466 1.00 35.21 H new ATOM 0 HG23 THR A 79 -3.181 32.275 60.887 1.00 35.21 H new ATOM 1246 N ALA A 80 -3.071 35.417 61.804 1.00 41.22 N ATOM 1247 CA ALA A 80 -2.942 36.804 61.373 1.00 20.44 C ATOM 1248 C ALA A 80 -4.297 37.503 61.363 1.00 70.42 C ATOM 1249 O ALA A 80 -4.375 38.728 61.461 1.00 23.23 O ATOM 1250 CB ALA A 80 -2.301 36.870 59.994 1.00 74.41 C ATOM 0 H ALA A 80 -2.565 34.747 61.225 1.00 41.22 H new ATOM 0 HA ALA A 80 -2.300 37.323 62.085 1.00 20.44 H new ATOM 0 HB1 ALA A 80 -2.211 37.911 59.684 1.00 74.41 H new ATOM 0 HB2 ALA A 80 -1.311 36.415 60.031 1.00 74.41 H new ATOM 0 HB3 ALA A 80 -2.922 36.331 59.278 1.00 74.41 H new ATOM 1256 N SER A 81 -5.363 36.719 61.244 1.00 5.55 N ATOM 1257 CA SER A 81 -6.715 37.264 61.218 1.00 24.34 C ATOM 1258 C SER A 81 -7.094 37.842 62.577 1.00 32.30 C ATOM 1259 O SER A 81 -7.421 39.024 62.692 1.00 5.10 O ATOM 1260 CB SER A 81 -7.716 36.179 60.814 1.00 14.02 C ATOM 1261 OG SER A 81 -7.722 35.986 59.410 1.00 62.04 O ATOM 0 H SER A 81 -5.317 35.703 61.164 1.00 5.55 H new ATOM 0 HA SER A 81 -6.743 38.067 60.482 1.00 24.34 H new ATOM 0 HB2 SER A 81 -7.463 35.243 61.312 1.00 14.02 H new ATOM 0 HB3 SER A 81 -8.715 36.458 61.150 1.00 14.02 H new ATOM 0 HG SER A 81 -8.368 35.287 59.179 1.00 62.04 H new ATOM 1267 N ASP A 82 -7.051 37.001 63.604 1.00 44.31 N ATOM 1268 CA ASP A 82 -7.388 37.428 64.957 1.00 22.23 C ATOM 1269 C ASP A 82 -6.277 38.290 65.548 1.00 34.42 C ATOM 1270 O ASP A 82 -6.531 39.379 66.064 1.00 30.02 O ATOM 1271 CB ASP A 82 -7.638 36.212 65.851 1.00 1.02 C ATOM 1272 CG ASP A 82 -9.011 35.608 65.636 1.00 22.04 C ATOM 1273 OD1 ASP A 82 -10.014 36.298 65.913 1.00 61.12 O ATOM 1274 OD2 ASP A 82 -9.083 34.443 65.190 1.00 31.42 O ATOM 0 H ASP A 82 -6.786 36.019 63.526 1.00 44.31 H new ATOM 0 HA ASP A 82 -8.298 38.026 64.907 1.00 22.23 H new ATOM 0 HB2 ASP A 82 -6.877 35.457 65.653 1.00 1.02 H new ATOM 0 HB3 ASP A 82 -7.533 36.505 66.896 1.00 1.02 H new ATOM 1279 N VAL A 83 -5.046 37.796 65.470 1.00 24.14 N ATOM 1280 CA VAL A 83 -3.896 38.521 65.996 1.00 14.32 C ATOM 1281 C VAL A 83 -3.917 39.980 65.555 1.00 4.23 C ATOM 1282 O VAL A 83 -3.335 40.846 66.209 1.00 65.41 O ATOM 1283 CB VAL A 83 -2.572 37.877 65.545 1.00 41.54 C ATOM 1284 CG1 VAL A 83 -1.390 38.564 66.212 1.00 62.14 C ATOM 1285 CG2 VAL A 83 -2.574 36.386 65.848 1.00 41.23 C ATOM 0 H VAL A 83 -4.819 36.896 65.047 1.00 24.14 H new ATOM 0 HA VAL A 83 -3.962 38.473 67.083 1.00 14.32 H new ATOM 0 HB VAL A 83 -2.475 38.005 64.467 1.00 41.54 H new ATOM 0 HG11 VAL A 83 -0.463 38.096 65.881 1.00 62.14 H new ATOM 0 HG12 VAL A 83 -1.381 39.619 65.939 1.00 62.14 H new ATOM 0 HG13 VAL A 83 -1.478 38.470 67.294 1.00 62.14 H new ATOM 0 HG21 VAL A 83 -1.631 35.947 65.523 1.00 41.23 H new ATOM 0 HG22 VAL A 83 -2.695 36.233 66.920 1.00 41.23 H new ATOM 0 HG23 VAL A 83 -3.398 35.908 65.318 1.00 41.23 H new ATOM 1295 N VAL A 84 -4.591 40.246 64.440 1.00 2.40 N ATOM 1296 CA VAL A 84 -4.689 41.600 63.911 1.00 55.11 C ATOM 1297 C VAL A 84 -5.231 42.563 64.961 1.00 53.12 C ATOM 1298 O VAL A 84 -4.822 43.722 65.026 1.00 12.13 O ATOM 1299 CB VAL A 84 -5.596 41.652 62.667 1.00 10.40 C ATOM 1300 CG1 VAL A 84 -7.055 41.784 63.075 1.00 71.41 C ATOM 1301 CG2 VAL A 84 -5.183 42.797 61.755 1.00 11.11 C ATOM 0 H VAL A 84 -5.077 39.541 63.886 1.00 2.40 H new ATOM 0 HA VAL A 84 -3.680 41.903 63.630 1.00 55.11 H new ATOM 0 HB VAL A 84 -5.481 40.719 62.116 1.00 10.40 H new ATOM 0 HG11 VAL A 84 -7.680 41.819 62.183 1.00 71.41 H new ATOM 0 HG12 VAL A 84 -7.341 40.927 63.685 1.00 71.41 H new ATOM 0 HG13 VAL A 84 -7.191 42.700 63.650 1.00 71.41 H new ATOM 0 HG21 VAL A 84 -5.834 42.819 60.881 1.00 11.11 H new ATOM 0 HG22 VAL A 84 -5.267 43.740 62.294 1.00 11.11 H new ATOM 0 HG23 VAL A 84 -4.151 42.653 61.435 1.00 11.11 H new ATOM 1311 N GLY A 85 -6.153 42.075 65.785 1.00 23.14 N ATOM 1312 CA GLY A 85 -6.736 42.905 66.823 1.00 4.04 C ATOM 1313 C GLY A 85 -6.864 42.176 68.145 1.00 3.43 C ATOM 1314 O GLY A 85 -7.340 42.740 69.130 1.00 33.11 O ATOM 0 H GLY A 85 -6.507 41.119 65.752 1.00 23.14 H new ATOM 0 HA2 GLY A 85 -6.121 43.795 66.960 1.00 4.04 H new ATOM 0 HA3 GLY A 85 -7.721 43.244 66.502 1.00 4.04 H new ATOM 1318 N MET A 86 -6.438 40.916 68.168 1.00 13.22 N ATOM 1319 CA MET A 86 -6.509 40.108 69.381 1.00 64.24 C ATOM 1320 C MET A 86 -5.626 40.696 70.477 1.00 53.14 C ATOM 1321 O MET A 86 -6.038 40.842 71.628 1.00 62.13 O ATOM 1322 CB MET A 86 -6.085 38.669 69.085 1.00 11.31 C ATOM 1323 CG MET A 86 -6.091 37.770 70.311 1.00 24.45 C ATOM 1324 SD MET A 86 -6.914 36.193 70.011 1.00 54.41 S ATOM 1325 CE MET A 86 -5.730 35.392 68.932 1.00 42.33 C ATOM 0 H MET A 86 -6.041 40.433 67.362 1.00 13.22 H new ATOM 0 HA MET A 86 -7.541 40.110 69.731 1.00 64.24 H new ATOM 0 HB2 MET A 86 -6.753 38.249 68.333 1.00 11.31 H new ATOM 0 HB3 MET A 86 -5.084 38.675 68.654 1.00 11.31 H new ATOM 0 HG2 MET A 86 -5.064 37.585 70.627 1.00 24.45 H new ATOM 0 HG3 MET A 86 -6.589 38.285 71.132 1.00 24.45 H new ATOM 0 HE1 MET A 86 -6.122 34.425 68.615 1.00 42.33 H new ATOM 0 HE2 MET A 86 -5.555 36.017 68.056 1.00 42.33 H new ATOM 0 HE3 MET A 86 -4.792 35.245 69.467 1.00 42.33 H new ATOM 1335 N PRO A 87 -4.381 41.040 70.115 1.00 32.51 N ATOM 1336 CA PRO A 87 -3.414 41.617 71.054 1.00 73.31 C ATOM 1337 C PRO A 87 -3.790 43.035 71.474 1.00 42.31 C ATOM 1338 O PRO A 87 -4.799 43.577 71.027 1.00 20.51 O ATOM 1339 CB PRO A 87 -2.108 41.625 70.257 1.00 44.12 C ATOM 1340 CG PRO A 87 -2.533 41.666 68.830 1.00 14.12 C ATOM 1341 CD PRO A 87 -3.822 40.894 68.760 1.00 54.53 C ATOM 0 HA PRO A 87 -3.359 41.050 71.983 1.00 73.31 H new ATOM 0 HB2 PRO A 87 -1.494 42.489 70.512 1.00 44.12 H new ATOM 0 HB3 PRO A 87 -1.511 40.737 70.467 1.00 44.12 H new ATOM 0 HG2 PRO A 87 -2.675 42.693 68.494 1.00 14.12 H new ATOM 0 HG3 PRO A 87 -1.776 41.221 68.184 1.00 14.12 H new ATOM 0 HD2 PRO A 87 -4.493 41.300 68.003 1.00 54.53 H new ATOM 0 HD3 PRO A 87 -3.651 39.848 68.507 1.00 54.53 H new ATOM 1349 N GLN A 88 -2.970 43.628 72.336 1.00 10.50 N ATOM 1350 CA GLN A 88 -3.217 44.982 72.816 1.00 0.21 C ATOM 1351 C GLN A 88 -2.688 46.016 71.828 1.00 23.54 C ATOM 1352 O GLN A 88 -3.286 47.075 71.644 1.00 34.20 O ATOM 1353 CB GLN A 88 -2.564 45.188 74.184 1.00 13.55 C ATOM 1354 CG GLN A 88 -1.045 45.152 74.145 1.00 53.34 C ATOM 1355 CD GLN A 88 -0.430 44.974 75.519 1.00 53.32 C ATOM 1356 OE1 GLN A 88 -0.530 43.905 76.123 1.00 75.22 O ATOM 1357 NE2 GLN A 88 0.213 46.022 76.022 1.00 32.35 N ATOM 0 H GLN A 88 -2.130 43.192 72.716 1.00 10.50 H new ATOM 0 HA GLN A 88 -4.295 45.115 72.911 1.00 0.21 H new ATOM 0 HB2 GLN A 88 -2.886 46.147 74.590 1.00 13.55 H new ATOM 0 HB3 GLN A 88 -2.920 44.417 74.867 1.00 13.55 H new ATOM 0 HG2 GLN A 88 -0.721 44.337 73.498 1.00 53.34 H new ATOM 0 HG3 GLN A 88 -0.675 46.077 73.702 1.00 53.34 H new ATOM 0 HE21 GLN A 88 0.272 46.889 75.488 1.00 32.35 H new ATOM 0 HE22 GLN A 88 0.648 45.960 76.943 1.00 32.35 H new ATOM 1366 N TRP A 89 -1.565 45.699 71.193 1.00 74.05 N ATOM 1367 CA TRP A 89 -0.956 46.602 70.223 1.00 0.14 C ATOM 1368 C TRP A 89 -2.013 47.220 69.315 1.00 22.24 C ATOM 1369 O TRP A 89 -1.907 48.382 68.925 1.00 2.43 O ATOM 1370 CB TRP A 89 0.082 45.855 69.383 1.00 43.54 C ATOM 1371 CG TRP A 89 -0.480 45.278 68.120 1.00 63.33 C ATOM 1372 CD1 TRP A 89 -0.801 43.971 67.887 1.00 32.12 C ATOM 1373 CD2 TRP A 89 -0.785 45.989 66.915 1.00 24.10 C ATOM 1374 NE1 TRP A 89 -1.287 43.827 66.610 1.00 42.23 N ATOM 1375 CE2 TRP A 89 -1.288 45.049 65.994 1.00 71.51 C ATOM 1376 CE3 TRP A 89 -0.683 47.327 66.525 1.00 21.41 C ATOM 1377 CZ2 TRP A 89 -1.687 45.408 64.708 1.00 52.40 C ATOM 1378 CZ3 TRP A 89 -1.079 47.681 65.249 1.00 33.31 C ATOM 1379 CH2 TRP A 89 -1.576 46.725 64.353 1.00 73.23 C ATOM 0 H TRP A 89 -1.058 44.825 71.332 1.00 74.05 H new ATOM 0 HA TRP A 89 -0.462 47.404 70.771 1.00 0.14 H new ATOM 0 HB2 TRP A 89 0.895 46.537 69.132 1.00 43.54 H new ATOM 0 HB3 TRP A 89 0.513 45.052 69.981 1.00 43.54 H new ATOM 0 HD1 TRP A 89 -0.689 43.169 68.601 1.00 32.12 H new ATOM 0 HE1 TRP A 89 -1.597 42.951 66.189 1.00 42.23 H new ATOM 0 HE3 TRP A 89 -0.302 48.071 67.208 1.00 21.41 H new ATOM 0 HZ2 TRP A 89 -2.070 44.673 64.016 1.00 52.40 H new ATOM 0 HZ3 TRP A 89 -1.004 48.712 64.937 1.00 33.31 H new ATOM 0 HH2 TRP A 89 -1.877 47.034 63.363 1.00 73.23 H new ATOM 1390 N GLN A 90 -3.033 46.434 68.983 1.00 33.21 N ATOM 1391 CA GLN A 90 -4.109 46.906 68.120 1.00 32.24 C ATOM 1392 C GLN A 90 -4.861 48.063 68.769 1.00 1.40 C ATOM 1393 O GLN A 90 -5.236 49.025 68.100 1.00 71.12 O ATOM 1394 CB GLN A 90 -5.079 45.764 67.808 1.00 21.13 C ATOM 1395 CG GLN A 90 -6.363 46.223 67.136 1.00 11.40 C ATOM 1396 CD GLN A 90 -7.571 46.105 68.045 1.00 64.44 C ATOM 1397 OE1 GLN A 90 -7.515 45.457 69.091 1.00 62.12 O ATOM 1398 NE2 GLN A 90 -8.672 46.733 67.650 1.00 31.13 N ATOM 0 H GLN A 90 -3.136 45.469 69.298 1.00 33.21 H new ATOM 0 HA GLN A 90 -3.665 47.262 67.190 1.00 32.24 H new ATOM 0 HB2 GLN A 90 -4.580 45.040 67.163 1.00 21.13 H new ATOM 0 HB3 GLN A 90 -5.328 45.247 68.735 1.00 21.13 H new ATOM 0 HG2 GLN A 90 -6.252 47.260 66.818 1.00 11.40 H new ATOM 0 HG3 GLN A 90 -6.530 45.630 66.237 1.00 11.40 H new ATOM 0 HE21 GLN A 90 -8.674 47.259 66.776 1.00 31.13 H new ATOM 0 HE22 GLN A 90 -9.516 46.690 68.221 1.00 31.13 H new ATOM 1407 N GLU A 91 -5.078 47.962 70.077 1.00 74.10 N ATOM 1408 CA GLU A 91 -5.786 49.001 70.816 1.00 30.20 C ATOM 1409 C GLU A 91 -4.851 50.156 71.161 1.00 61.21 C ATOM 1410 O GLU A 91 -5.164 51.320 70.907 1.00 22.42 O ATOM 1411 CB GLU A 91 -6.394 48.423 72.095 1.00 13.20 C ATOM 1412 CG GLU A 91 -7.892 48.654 72.215 1.00 42.32 C ATOM 1413 CD GLU A 91 -8.521 47.836 73.327 1.00 4.13 C ATOM 1414 OE1 GLU A 91 -7.990 47.863 74.457 1.00 42.11 O ATOM 1415 OE2 GLU A 91 -9.544 47.169 73.065 1.00 41.31 O ATOM 0 H GLU A 91 -4.774 47.172 70.646 1.00 74.10 H new ATOM 0 HA GLU A 91 -6.586 49.382 70.181 1.00 30.20 H new ATOM 0 HB2 GLU A 91 -6.196 47.352 72.130 1.00 13.20 H new ATOM 0 HB3 GLU A 91 -5.896 48.867 72.957 1.00 13.20 H new ATOM 0 HG2 GLU A 91 -8.079 49.712 72.397 1.00 42.32 H new ATOM 0 HG3 GLU A 91 -8.372 48.403 71.269 1.00 42.32 H new ATOM 1422 N TYR A 92 -3.703 49.827 71.741 1.00 55.45 N ATOM 1423 CA TYR A 92 -2.724 50.836 72.125 1.00 44.14 C ATOM 1424 C TYR A 92 -2.355 51.718 70.935 1.00 11.44 C ATOM 1425 O TYR A 92 -2.554 52.933 70.961 1.00 20.44 O ATOM 1426 CB TYR A 92 -1.467 50.170 72.689 1.00 23.11 C ATOM 1427 CG TYR A 92 -1.421 50.144 74.199 1.00 61.31 C ATOM 1428 CD1 TYR A 92 -2.181 49.234 74.921 1.00 15.54 C ATOM 1429 CD2 TYR A 92 -0.616 51.030 74.904 1.00 41.25 C ATOM 1430 CE1 TYR A 92 -2.142 49.207 76.302 1.00 13.41 C ATOM 1431 CE2 TYR A 92 -0.569 51.011 76.284 1.00 14.42 C ATOM 1432 CZ TYR A 92 -1.335 50.097 76.979 1.00 53.14 C ATOM 1433 OH TYR A 92 -1.293 50.073 78.355 1.00 41.20 O ATOM 0 H TYR A 92 -3.427 48.869 71.956 1.00 55.45 H new ATOM 0 HA TYR A 92 -3.171 51.464 72.896 1.00 44.14 H new ATOM 0 HB2 TYR A 92 -1.408 49.148 72.315 1.00 23.11 H new ATOM 0 HB3 TYR A 92 -0.589 50.697 72.316 1.00 23.11 H new ATOM 0 HD1 TYR A 92 -2.814 48.535 74.394 1.00 15.54 H new ATOM 0 HD2 TYR A 92 -0.016 51.747 74.363 1.00 41.25 H new ATOM 0 HE1 TYR A 92 -2.740 48.493 76.848 1.00 13.41 H new ATOM 0 HE2 TYR A 92 0.063 51.707 76.816 1.00 14.42 H new ATOM 0 HH TYR A 92 -0.675 50.763 78.676 1.00 41.20 H new ATOM 1443 N THR A 93 -1.816 51.096 69.891 1.00 54.01 N ATOM 1444 CA THR A 93 -1.419 51.821 68.691 1.00 72.53 C ATOM 1445 C THR A 93 -2.498 52.812 68.265 1.00 43.35 C ATOM 1446 O THR A 93 -2.201 53.853 67.679 1.00 43.53 O ATOM 1447 CB THR A 93 -1.130 50.860 67.522 1.00 34.23 C ATOM 1448 OG1 THR A 93 -0.583 51.585 66.416 1.00 1.23 O ATOM 1449 CG2 THR A 93 -2.400 50.142 67.087 1.00 52.21 C ATOM 0 H THR A 93 -1.644 50.091 69.853 1.00 54.01 H new ATOM 0 HA THR A 93 -0.507 52.364 68.938 1.00 72.53 H new ATOM 0 HB THR A 93 -0.408 50.117 67.860 1.00 34.23 H new ATOM 0 HG1 THR A 93 -0.000 50.995 65.894 1.00 1.23 H new ATOM 0 HG21 THR A 93 -2.172 49.469 66.261 1.00 52.21 H new ATOM 0 HG22 THR A 93 -2.798 49.568 67.924 1.00 52.21 H new ATOM 0 HG23 THR A 93 -3.140 50.875 66.765 1.00 52.21 H new ATOM 1457 N ALA A 94 -3.749 52.481 68.564 1.00 52.21 N ATOM 1458 CA ALA A 94 -4.871 53.344 68.215 1.00 22.21 C ATOM 1459 C ALA A 94 -4.908 54.584 69.102 1.00 65.13 C ATOM 1460 O ALA A 94 -5.097 55.699 68.617 1.00 43.23 O ATOM 1461 CB ALA A 94 -6.180 52.576 68.323 1.00 35.14 C ATOM 0 H ALA A 94 -4.012 51.622 69.047 1.00 52.21 H new ATOM 0 HA ALA A 94 -4.738 53.672 67.184 1.00 22.21 H new ATOM 0 HB1 ALA A 94 -7.010 53.232 68.060 1.00 35.14 H new ATOM 0 HB2 ALA A 94 -6.160 51.725 67.642 1.00 35.14 H new ATOM 0 HB3 ALA A 94 -6.310 52.220 69.345 1.00 35.14 H new ATOM 1467 N MET A 95 -4.726 54.381 70.402 1.00 52.24 N ATOM 1468 CA MET A 95 -4.738 55.484 71.357 1.00 44.22 C ATOM 1469 C MET A 95 -3.691 56.531 70.990 1.00 63.50 C ATOM 1470 O MET A 95 -3.799 57.694 71.381 1.00 51.22 O ATOM 1471 CB MET A 95 -4.482 54.964 72.772 1.00 41.41 C ATOM 1472 CG MET A 95 -5.519 55.423 73.785 1.00 2.45 C ATOM 1473 SD MET A 95 -5.678 54.288 75.178 1.00 42.31 S ATOM 1474 CE MET A 95 -7.023 55.049 76.082 1.00 33.14 C ATOM 0 H MET A 95 -4.568 53.464 70.819 1.00 52.24 H new ATOM 0 HA MET A 95 -5.722 55.952 71.322 1.00 44.22 H new ATOM 0 HB2 MET A 95 -4.463 53.874 72.752 1.00 41.41 H new ATOM 0 HB3 MET A 95 -3.496 55.294 73.099 1.00 41.41 H new ATOM 0 HG2 MET A 95 -5.247 56.411 74.156 1.00 2.45 H new ATOM 0 HG3 MET A 95 -6.485 55.523 73.290 1.00 2.45 H new ATOM 0 HE1 MET A 95 -7.240 54.461 76.974 1.00 33.14 H new ATOM 0 HE2 MET A 95 -6.739 56.060 76.374 1.00 33.14 H new ATOM 0 HE3 MET A 95 -7.910 55.089 75.449 1.00 33.14 H new ATOM 1484 N LEU A 96 -2.680 56.112 70.237 1.00 50.25 N ATOM 1485 CA LEU A 96 -1.613 57.015 69.817 1.00 55.40 C ATOM 1486 C LEU A 96 -2.136 58.056 68.832 1.00 32.34 C ATOM 1487 O LEU A 96 -2.050 59.258 69.080 1.00 44.11 O ATOM 1488 CB LEU A 96 -0.470 56.223 69.180 1.00 74.00 C ATOM 1489 CG LEU A 96 -0.090 54.916 69.876 1.00 0.11 C ATOM 1490 CD1 LEU A 96 1.076 54.250 69.163 1.00 62.35 C ATOM 1491 CD2 LEU A 96 0.250 55.169 71.338 1.00 5.52 C ATOM 0 H LEU A 96 -2.576 55.153 69.905 1.00 50.25 H new ATOM 0 HA LEU A 96 -1.240 57.533 70.701 1.00 55.40 H new ATOM 0 HB2 LEU A 96 -0.742 55.997 68.149 1.00 74.00 H new ATOM 0 HB3 LEU A 96 0.412 56.862 69.144 1.00 74.00 H new ATOM 0 HG LEU A 96 -0.946 54.243 69.834 1.00 0.11 H new ATOM 0 HD11 LEU A 96 1.332 53.321 69.673 1.00 62.35 H new ATOM 0 HD12 LEU A 96 0.796 54.033 68.132 1.00 62.35 H new ATOM 0 HD13 LEU A 96 1.937 54.918 69.172 1.00 62.35 H new ATOM 0 HD21 LEU A 96 0.518 54.227 71.817 1.00 5.52 H new ATOM 0 HD22 LEU A 96 1.090 55.861 71.402 1.00 5.52 H new ATOM 0 HD23 LEU A 96 -0.614 55.600 71.843 1.00 5.52 H new ATOM 1503 N ARG A 97 -2.683 57.584 67.716 1.00 13.22 N ATOM 1504 CA ARG A 97 -3.222 58.473 66.694 1.00 62.34 C ATOM 1505 C ARG A 97 -4.534 59.101 67.156 1.00 2.01 C ATOM 1506 O ARG A 97 -4.767 60.292 66.956 1.00 22.21 O ATOM 1507 CB ARG A 97 -3.442 57.709 65.387 1.00 72.15 C ATOM 1508 CG ARG A 97 -4.146 56.375 65.573 1.00 64.41 C ATOM 1509 CD ARG A 97 -3.313 55.226 65.029 1.00 22.14 C ATOM 1510 NE ARG A 97 -3.422 55.110 63.576 1.00 55.01 N ATOM 1511 CZ ARG A 97 -2.593 54.387 62.832 1.00 53.34 C ATOM 1512 NH1 ARG A 97 -1.599 53.718 63.401 1.00 24.22 N ATOM 1513 NH2 ARG A 97 -2.756 54.331 61.517 1.00 33.43 N ATOM 0 H ARG A 97 -2.764 56.591 67.497 1.00 13.22 H new ATOM 0 HA ARG A 97 -2.498 59.270 66.523 1.00 62.34 H new ATOM 0 HB2 ARG A 97 -4.028 58.328 64.708 1.00 72.15 H new ATOM 0 HB3 ARG A 97 -2.477 57.538 64.909 1.00 72.15 H new ATOM 0 HG2 ARG A 97 -4.345 56.212 66.632 1.00 64.41 H new ATOM 0 HG3 ARG A 97 -5.111 56.398 65.067 1.00 64.41 H new ATOM 0 HD2 ARG A 97 -2.269 55.374 65.303 1.00 22.14 H new ATOM 0 HD3 ARG A 97 -3.635 54.293 65.492 1.00 22.14 H new ATOM 0 HE ARG A 97 -4.176 55.612 63.108 1.00 55.01 H new ATOM 0 HH11 ARG A 97 -1.470 53.758 64.412 1.00 24.22 H new ATOM 0 HH12 ARG A 97 -0.964 53.163 62.828 1.00 24.22 H new ATOM 0 HH21 ARG A 97 -3.519 54.844 61.075 1.00 33.43 H new ATOM 0 HH22 ARG A 97 -2.118 53.775 60.947 1.00 33.43 H new ATOM 1527 N GLU A 98 -5.386 58.290 67.775 1.00 53.30 N ATOM 1528 CA GLU A 98 -6.674 58.766 68.264 1.00 31.24 C ATOM 1529 C GLU A 98 -6.489 59.852 69.319 1.00 52.13 C ATOM 1530 O GLU A 98 -7.058 60.939 69.214 1.00 63.10 O ATOM 1531 CB GLU A 98 -7.484 57.607 68.848 1.00 10.44 C ATOM 1532 CG GLU A 98 -8.756 58.046 69.552 1.00 23.05 C ATOM 1533 CD GLU A 98 -9.919 58.229 68.595 1.00 1.53 C ATOM 1534 OE1 GLU A 98 -10.626 57.236 68.324 1.00 20.24 O ATOM 1535 OE2 GLU A 98 -10.121 59.365 68.119 1.00 51.23 O ATOM 0 H GLU A 98 -5.207 57.301 67.950 1.00 53.30 H new ATOM 0 HA GLU A 98 -7.218 59.191 67.420 1.00 31.24 H new ATOM 0 HB2 GLU A 98 -7.743 56.916 68.046 1.00 10.44 H new ATOM 0 HB3 GLU A 98 -6.860 57.058 69.553 1.00 10.44 H new ATOM 0 HG2 GLU A 98 -9.024 57.306 70.306 1.00 23.05 H new ATOM 0 HG3 GLU A 98 -8.571 58.983 70.077 1.00 23.05 H new ATOM 1542 N ARG A 99 -5.688 59.551 70.335 1.00 55.51 N ATOM 1543 CA ARG A 99 -5.427 60.499 71.412 1.00 74.32 C ATOM 1544 C ARG A 99 -4.080 61.188 71.215 1.00 43.13 C ATOM 1545 O ARG A 99 -3.495 61.713 72.162 1.00 55.34 O ATOM 1546 CB ARG A 99 -5.457 59.789 72.766 1.00 43.15 C ATOM 1547 CG ARG A 99 -5.579 60.735 73.948 1.00 74.53 C ATOM 1548 CD ARG A 99 -7.034 61.043 74.268 1.00 53.14 C ATOM 1549 NE ARG A 99 -7.469 60.403 75.507 1.00 24.33 N ATOM 1550 CZ ARG A 99 -8.552 60.770 76.182 1.00 74.30 C ATOM 1551 NH1 ARG A 99 -9.306 61.768 75.741 1.00 0.20 N ATOM 1552 NH2 ARG A 99 -8.883 60.139 77.301 1.00 72.21 N ATOM 0 H ARG A 99 -5.208 58.657 70.435 1.00 55.51 H new ATOM 0 HA ARG A 99 -6.210 61.257 71.392 1.00 74.32 H new ATOM 0 HB2 ARG A 99 -6.294 59.091 72.782 1.00 43.15 H new ATOM 0 HB3 ARG A 99 -4.548 59.198 72.877 1.00 43.15 H new ATOM 0 HG2 ARG A 99 -5.099 60.292 74.821 1.00 74.53 H new ATOM 0 HG3 ARG A 99 -5.049 61.662 73.729 1.00 74.53 H new ATOM 0 HD2 ARG A 99 -7.166 62.122 74.351 1.00 53.14 H new ATOM 0 HD3 ARG A 99 -7.665 60.707 73.445 1.00 53.14 H new ATOM 0 HE ARG A 99 -6.910 59.632 75.874 1.00 24.33 H new ATOM 0 HH11 ARG A 99 -9.055 62.256 74.881 1.00 0.20 H new ATOM 0 HH12 ARG A 99 -10.137 62.048 76.262 1.00 0.20 H new ATOM 0 HH21 ARG A 99 -8.305 59.371 77.644 1.00 72.21 H new ATOM 0 HH22 ARG A 99 -9.715 60.422 77.819 1.00 72.21 H new ATOM 1566 N PHE A 100 -3.592 61.181 69.979 1.00 13.44 N ATOM 1567 CA PHE A 100 -2.313 61.802 69.658 1.00 61.24 C ATOM 1568 C PHE A 100 -2.263 63.239 70.171 1.00 22.22 C ATOM 1569 O PHE A 100 -1.231 63.701 70.655 1.00 21.21 O ATOM 1570 CB PHE A 100 -2.075 61.779 68.147 1.00 53.31 C ATOM 1571 CG PHE A 100 -2.576 63.008 67.442 1.00 43.34 C ATOM 1572 CD1 PHE A 100 -3.934 63.255 67.333 1.00 74.15 C ATOM 1573 CD2 PHE A 100 -1.686 63.916 66.889 1.00 22.04 C ATOM 1574 CE1 PHE A 100 -4.398 64.385 66.687 1.00 64.11 C ATOM 1575 CE2 PHE A 100 -2.144 65.047 66.241 1.00 21.31 C ATOM 1576 CZ PHE A 100 -3.502 65.282 66.139 1.00 64.11 C ATOM 0 H PHE A 100 -4.064 60.752 69.183 1.00 13.44 H new ATOM 0 HA PHE A 100 -1.526 61.231 70.151 1.00 61.24 H new ATOM 0 HB2 PHE A 100 -1.007 61.671 67.957 1.00 53.31 H new ATOM 0 HB3 PHE A 100 -2.564 60.902 67.723 1.00 53.31 H new ATOM 0 HD1 PHE A 100 -4.639 62.556 67.758 1.00 74.15 H new ATOM 0 HD2 PHE A 100 -0.624 63.737 66.966 1.00 22.04 H new ATOM 0 HE1 PHE A 100 -5.460 64.567 66.611 1.00 64.11 H new ATOM 0 HE2 PHE A 100 -1.441 65.747 65.814 1.00 21.31 H new ATOM 0 HZ PHE A 100 -3.862 66.165 65.632 1.00 64.11 H new ATOM 1586 N ALA A 101 -3.387 63.940 70.058 1.00 4.10 N ATOM 1587 CA ALA A 101 -3.472 65.323 70.510 1.00 73.21 C ATOM 1588 C ALA A 101 -2.935 65.471 71.929 1.00 50.53 C ATOM 1589 O ALA A 101 -2.377 66.507 72.288 1.00 53.22 O ATOM 1590 CB ALA A 101 -4.909 65.815 70.435 1.00 35.44 C ATOM 0 H ALA A 101 -4.250 63.573 69.658 1.00 4.10 H new ATOM 0 HA ALA A 101 -2.855 65.933 69.850 1.00 73.21 H new ATOM 0 HB1 ALA A 101 -4.958 66.849 70.776 1.00 35.44 H new ATOM 0 HB2 ALA A 101 -5.261 65.755 69.405 1.00 35.44 H new ATOM 0 HB3 ALA A 101 -5.540 65.194 71.071 1.00 35.44 H new ATOM 1596 N GLY A 102 -3.107 64.427 72.735 1.00 45.43 N ATOM 1597 CA GLY A 102 -2.634 64.461 74.106 1.00 74.43 C ATOM 1598 C GLY A 102 -1.168 64.094 74.224 1.00 11.24 C ATOM 1599 O GLY A 102 -0.319 64.959 74.439 1.00 70.24 O ATOM 0 H GLY A 102 -3.566 63.558 72.462 1.00 45.43 H new ATOM 0 HA2 GLY A 102 -2.789 65.459 74.516 1.00 74.43 H new ATOM 0 HA3 GLY A 102 -3.227 63.773 74.709 1.00 74.43 H new ATOM 1603 N LEU A 103 -0.870 62.807 74.084 1.00 50.31 N ATOM 1604 CA LEU A 103 0.505 62.326 74.179 1.00 22.44 C ATOM 1605 C LEU A 103 1.458 63.251 73.429 1.00 74.12 C ATOM 1606 O LEU A 103 2.630 63.375 73.787 1.00 14.25 O ATOM 1607 CB LEU A 103 0.608 60.907 73.617 1.00 12.23 C ATOM 1608 CG LEU A 103 0.032 60.693 72.217 1.00 72.44 C ATOM 1609 CD1 LEU A 103 1.133 60.761 71.171 1.00 42.13 C ATOM 1610 CD2 LEU A 103 -0.702 59.363 72.138 1.00 42.32 C ATOM 0 H LEU A 103 -1.561 62.078 73.905 1.00 50.31 H new ATOM 0 HA LEU A 103 0.789 62.317 75.231 1.00 22.44 H new ATOM 0 HB2 LEU A 103 1.659 60.619 73.603 1.00 12.23 H new ATOM 0 HB3 LEU A 103 0.101 60.229 74.304 1.00 12.23 H new ATOM 0 HG LEU A 103 -0.683 61.490 72.014 1.00 72.44 H new ATOM 0 HD11 LEU A 103 0.704 60.606 70.181 1.00 42.13 H new ATOM 0 HD12 LEU A 103 1.612 61.739 71.210 1.00 42.13 H new ATOM 0 HD13 LEU A 103 1.873 59.986 71.371 1.00 42.13 H new ATOM 0 HD21 LEU A 103 -1.105 59.229 71.134 1.00 42.32 H new ATOM 0 HD22 LEU A 103 -0.010 58.552 72.363 1.00 42.32 H new ATOM 0 HD23 LEU A 103 -1.518 59.354 72.861 1.00 42.32 H new