USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=13 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0536 X(o=-0.054,f=-0.24) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 144:sc= -9.58! (180deg=-14.6!) USER MOD Single : A 38 GLN : amide:sc= -1.53! C(o=-1.5!,f=-7.2!) USER MOD Single : A 39 ASN : amide:sc= -6.19! C(o=-6.2!,f=-8.8!) USER MOD Single : A 44 HIS : no HD1:sc= -0.124 K(o=-0.12,f=-1) USER MOD Single : A 45 THR OG1 : rot 71:sc= 1.12 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.078 K(o=-0.078,f=-0.76) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 58 SER OG : rot -43:sc= 0.649 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -9:sc= -3.84! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.0782 X(o=-0.078,f=-0.12) USER MOD Single : A 69 GLN : amide:sc= -0.925 K(o=-0.92,f=-2.3!) 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) USER MOD Single : A 74 HIS : no HD1:sc= -0.128 K(o=-0.13,f=-1.9) USER MOD Single : A 76 THR OG1 : rot 180:sc= -2.09! USER MOD Single : A 79 THR OG1 : rot -29:sc= 0.624 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 161:sc= -0.465 (180deg=-2.37) USER MOD Single : A 88 GLN : amide:sc= -0.0505 X(o=-0.05,f=-0.31) USER MOD Single : A 90 GLN : amide:sc= -2.18 K(o=-2.2,f=-3.9!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -75:sc= 1.18 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 248 N LYS A 17 13.854 47.991 70.953 1.00 24.22 N ATOM 249 CA LYS A 17 13.815 46.625 70.443 1.00 51.23 C ATOM 250 C LYS A 17 12.482 46.336 69.761 1.00 3.54 C ATOM 251 O LYS A 17 11.586 47.179 69.747 1.00 72.53 O ATOM 252 CB LYS A 17 14.045 45.628 71.581 1.00 11.03 C ATOM 253 CG LYS A 17 15.319 45.885 72.367 1.00 1.04 C ATOM 254 CD LYS A 17 15.353 45.078 73.654 1.00 74.12 C ATOM 255 CE LYS A 17 15.974 43.707 73.437 1.00 41.43 C ATOM 256 NZ LYS A 17 17.311 43.594 74.086 1.00 74.41 N ATOM 0 HA LYS A 17 14.610 46.516 69.706 1.00 51.23 H new ATOM 0 HB2 LYS A 17 13.195 45.664 72.262 1.00 11.03 H new ATOM 0 HB3 LYS A 17 14.080 44.620 71.168 1.00 11.03 H new ATOM 0 HG2 LYS A 17 16.183 45.630 71.754 1.00 1.04 H new ATOM 0 HG3 LYS A 17 15.396 46.947 72.600 1.00 1.04 H new ATOM 0 HD2 LYS A 17 15.921 45.620 74.410 1.00 74.12 H new ATOM 0 HD3 LYS A 17 14.340 44.963 74.039 1.00 74.12 H new ATOM 0 HE2 LYS A 17 15.310 42.940 73.837 1.00 41.43 H new ATOM 0 HE3 LYS A 17 16.072 43.518 72.368 1.00 41.43 H new ATOM 0 HZ1 LYS A 17 17.701 42.645 73.915 1.00 74.41 H new ATOM 0 HZ2 LYS A 17 17.952 44.309 73.687 1.00 74.41 H new ATOM 0 HZ3 LYS A 17 17.214 43.749 75.110 1.00 74.41 H new ATOM 270 N TRP A 18 12.358 45.139 69.199 1.00 34.15 N ATOM 271 CA TRP A 18 11.132 44.738 68.517 1.00 74.24 C ATOM 272 C TRP A 18 9.951 44.727 69.482 1.00 45.14 C ATOM 273 O TRP A 18 10.114 44.958 70.681 1.00 33.44 O ATOM 274 CB TRP A 18 11.304 43.356 67.886 1.00 30.34 C ATOM 275 CG TRP A 18 12.523 43.245 67.021 1.00 73.53 C ATOM 276 CD1 TRP A 18 13.808 43.041 67.437 1.00 72.20 C ATOM 277 CD2 TRP A 18 12.572 43.335 65.592 1.00 11.30 C ATOM 278 NE1 TRP A 18 14.652 42.998 66.354 1.00 73.44 N ATOM 279 CE2 TRP A 18 13.918 43.175 65.211 1.00 41.43 C ATOM 280 CE3 TRP A 18 11.609 43.532 64.599 1.00 52.14 C ATOM 281 CZ2 TRP A 18 14.323 43.209 63.879 1.00 10.03 C ATOM 282 CZ3 TRP A 18 12.012 43.565 63.278 1.00 71.11 C ATOM 283 CH2 TRP A 18 13.359 43.403 62.927 1.00 14.32 C ATOM 0 H TRP A 18 13.091 44.429 69.202 1.00 34.15 H new ATOM 0 HA TRP A 18 10.928 45.465 67.731 1.00 74.24 H new ATOM 0 HB2 TRP A 18 11.359 42.608 68.677 1.00 30.34 H new ATOM 0 HB3 TRP A 18 10.422 43.125 67.289 1.00 30.34 H new ATOM 0 HD1 TRP A 18 14.115 42.930 68.466 1.00 72.20 H new ATOM 0 HE1 TRP A 18 15.661 42.857 66.394 1.00 73.44 H new ATOM 0 HE3 TRP A 18 10.568 43.656 64.859 1.00 52.14 H new ATOM 0 HZ2 TRP A 18 15.361 43.087 63.607 1.00 10.03 H new ATOM 0 HZ3 TRP A 18 11.276 43.718 62.502 1.00 71.11 H new ATOM 0 HH2 TRP A 18 13.642 43.432 61.885 1.00 14.32 H new ATOM 294 N LEU A 19 8.764 44.458 68.952 1.00 31.45 N ATOM 295 CA LEU A 19 7.554 44.416 69.767 1.00 34.23 C ATOM 296 C LEU A 19 7.693 43.402 70.898 1.00 64.23 C ATOM 297 O LEU A 19 7.036 43.516 71.932 1.00 14.41 O ATOM 298 CB LEU A 19 6.343 44.066 68.900 1.00 62.42 C ATOM 299 CG LEU A 19 5.163 45.037 68.972 1.00 40.43 C ATOM 300 CD1 LEU A 19 4.712 45.222 70.412 1.00 31.32 C ATOM 301 CD2 LEU A 19 5.535 46.376 68.352 1.00 24.11 C ATOM 0 H LEU A 19 8.612 44.266 67.962 1.00 31.45 H new ATOM 0 HA LEU A 19 7.407 45.403 70.205 1.00 34.23 H new ATOM 0 HB2 LEU A 19 6.671 44.000 67.863 1.00 62.42 H new ATOM 0 HB3 LEU A 19 5.990 43.075 69.186 1.00 62.42 H new ATOM 0 HG LEU A 19 4.334 44.614 68.404 1.00 40.43 H new ATOM 0 HD11 LEU A 19 3.872 45.916 70.444 1.00 31.32 H new ATOM 0 HD12 LEU A 19 4.404 44.261 70.823 1.00 31.32 H new ATOM 0 HD13 LEU A 19 5.536 45.622 71.003 1.00 31.32 H new ATOM 0 HD21 LEU A 19 4.684 47.054 68.412 1.00 24.11 H new ATOM 0 HD22 LEU A 19 6.379 46.805 68.892 1.00 24.11 H new ATOM 0 HD23 LEU A 19 5.809 46.230 67.307 1.00 24.11 H new ATOM 313 N ASP A 20 8.556 42.412 70.694 1.00 10.04 N ATOM 314 CA ASP A 20 8.784 41.379 71.698 1.00 42.03 C ATOM 315 C ASP A 20 8.829 41.983 73.097 1.00 51.54 C ATOM 316 O ASP A 20 8.358 41.380 74.060 1.00 10.25 O ATOM 317 CB ASP A 20 10.090 40.636 71.407 1.00 1.12 C ATOM 318 CG ASP A 20 10.436 39.630 72.487 1.00 64.00 C ATOM 319 OD1 ASP A 20 11.001 40.041 73.521 1.00 62.23 O ATOM 320 OD2 ASP A 20 10.142 38.431 72.298 1.00 24.44 O ATOM 0 H ASP A 20 9.108 42.303 69.843 1.00 10.04 H new ATOM 0 HA ASP A 20 7.955 40.673 71.653 1.00 42.03 H new ATOM 0 HB2 ASP A 20 10.007 40.122 70.449 1.00 1.12 H new ATOM 0 HB3 ASP A 20 10.902 41.357 71.313 1.00 1.12 H new ATOM 325 N GLY A 21 9.402 43.178 73.203 1.00 75.25 N ATOM 326 CA GLY A 21 9.500 43.842 74.490 1.00 75.22 C ATOM 327 C GLY A 21 10.922 44.242 74.830 1.00 11.24 C ATOM 328 O GLY A 21 11.873 43.762 74.213 1.00 40.24 O ATOM 0 H GLY A 21 9.800 43.698 72.421 1.00 75.25 H new ATOM 0 HA2 GLY A 21 8.867 44.730 74.486 1.00 75.22 H new ATOM 0 HA3 GLY A 21 9.117 43.180 75.267 1.00 75.22 H new ATOM 332 N LEU A 22 11.068 45.123 75.813 1.00 54.11 N ATOM 333 CA LEU A 22 12.386 45.588 76.234 1.00 33.11 C ATOM 334 C LEU A 22 12.603 45.333 77.722 1.00 2.22 C ATOM 335 O LEU A 22 11.784 45.719 78.555 1.00 31.45 O ATOM 336 CB LEU A 22 12.541 47.080 75.933 1.00 13.22 C ATOM 337 CG LEU A 22 12.767 47.449 74.467 1.00 32.13 C ATOM 338 CD1 LEU A 22 11.466 47.352 73.686 1.00 63.31 C ATOM 339 CD2 LEU A 22 13.357 48.847 74.353 1.00 75.21 C ATOM 0 H LEU A 22 10.291 45.530 76.334 1.00 54.11 H new ATOM 0 HA LEU A 22 13.137 45.030 75.675 1.00 33.11 H new ATOM 0 HB2 LEU A 22 11.647 47.596 76.283 1.00 13.22 H new ATOM 0 HB3 LEU A 22 13.378 47.463 76.516 1.00 13.22 H new ATOM 0 HG LEU A 22 13.477 46.741 74.040 1.00 32.13 H new ATOM 0 HD11 LEU A 22 11.646 47.618 72.644 1.00 63.31 H new ATOM 0 HD12 LEU A 22 11.085 46.332 73.739 1.00 63.31 H new ATOM 0 HD13 LEU A 22 10.733 48.036 74.114 1.00 63.31 H new ATOM 0 HD21 LEU A 22 13.511 49.092 73.302 1.00 75.21 H new ATOM 0 HD22 LEU A 22 12.671 49.569 74.797 1.00 75.21 H new ATOM 0 HD23 LEU A 22 14.312 48.883 74.878 1.00 75.21 H new ATOM 351 N ARG A 23 13.715 44.681 78.048 1.00 13.04 N ATOM 352 CA ARG A 23 14.041 44.373 79.436 1.00 61.34 C ATOM 353 C ARG A 23 14.591 45.605 80.149 1.00 42.34 C ATOM 354 O ARG A 23 14.080 46.010 81.192 1.00 72.12 O ATOM 355 CB ARG A 23 15.060 43.234 79.502 1.00 61.02 C ATOM 356 CG ARG A 23 16.378 43.555 78.816 1.00 13.52 C ATOM 357 CD ARG A 23 17.128 42.290 78.430 1.00 31.34 C ATOM 358 NE ARG A 23 18.475 42.258 78.992 1.00 22.35 N ATOM 359 CZ ARG A 23 18.728 42.086 80.284 1.00 55.32 C ATOM 360 NH1 ARG A 23 17.730 41.931 81.144 1.00 74.52 N ATOM 361 NH2 ARG A 23 19.981 42.068 80.720 1.00 63.51 N ATOM 0 H ARG A 23 14.405 44.356 77.370 1.00 13.04 H new ATOM 0 HA ARG A 23 13.126 44.061 79.939 1.00 61.34 H new ATOM 0 HB2 ARG A 23 15.254 42.991 80.547 1.00 61.02 H new ATOM 0 HB3 ARG A 23 14.628 42.345 79.043 1.00 61.02 H new ATOM 0 HG2 ARG A 23 16.189 44.154 77.925 1.00 13.52 H new ATOM 0 HG3 ARG A 23 16.997 44.158 79.480 1.00 13.52 H new ATOM 0 HD2 ARG A 23 16.571 41.419 78.775 1.00 31.34 H new ATOM 0 HD3 ARG A 23 17.187 42.221 77.344 1.00 31.34 H new ATOM 0 HE ARG A 23 19.265 42.374 78.357 1.00 22.35 H new ATOM 0 HH11 ARG A 23 16.765 41.944 80.813 1.00 74.52 H new ATOM 0 HH12 ARG A 23 17.927 41.799 82.136 1.00 74.52 H new ATOM 0 HH21 ARG A 23 20.752 42.186 80.062 1.00 63.51 H new ATOM 0 HH22 ARG A 23 20.174 41.936 81.713 1.00 63.51 H new ATOM 449 N GLN A 30 6.587 52.798 77.502 1.00 73.52 N ATOM 450 CA GLN A 30 6.503 51.810 76.433 1.00 74.43 C ATOM 451 C GLN A 30 7.195 52.314 75.171 1.00 61.33 C ATOM 452 O GLN A 30 6.737 53.263 74.536 1.00 25.03 O ATOM 453 CB GLN A 30 5.040 51.480 76.129 1.00 55.00 C ATOM 454 CG GLN A 30 4.840 50.095 75.537 1.00 61.23 C ATOM 455 CD GLN A 30 3.783 49.294 76.271 1.00 50.40 C ATOM 456 OE1 GLN A 30 3.756 49.260 77.502 1.00 63.22 O ATOM 457 NE2 GLN A 30 2.905 48.643 75.518 1.00 2.25 N ATOM 0 HA GLN A 30 7.011 50.905 76.768 1.00 74.43 H new ATOM 0 HB2 GLN A 30 4.459 51.561 77.048 1.00 55.00 H new ATOM 0 HB3 GLN A 30 4.645 52.223 75.436 1.00 55.00 H new ATOM 0 HG2 GLN A 30 4.556 50.190 74.489 1.00 61.23 H new ATOM 0 HG3 GLN A 30 5.785 49.553 75.564 1.00 61.23 H new ATOM 0 HE21 GLN A 30 2.964 48.699 74.501 1.00 2.25 H new ATOM 0 HE22 GLN A 30 2.171 48.087 75.956 1.00 2.25 H new ATOM 466 N GLY A 31 8.304 51.672 74.814 1.00 32.44 N ATOM 467 CA GLY A 31 9.042 52.069 73.630 1.00 45.12 C ATOM 468 C GLY A 31 8.452 51.493 72.358 1.00 43.30 C ATOM 469 O GLY A 31 8.725 51.983 71.262 1.00 24.14 O ATOM 0 H GLY A 31 8.704 50.884 75.324 1.00 32.44 H new ATOM 0 HA2 GLY A 31 9.054 53.157 73.561 1.00 45.12 H new ATOM 0 HA3 GLY A 31 10.078 51.744 73.726 1.00 45.12 H new ATOM 473 N ASP A 32 7.643 50.449 72.503 1.00 10.44 N ATOM 474 CA ASP A 32 7.013 49.805 71.356 1.00 13.50 C ATOM 475 C ASP A 32 6.063 50.765 70.647 1.00 4.52 C ATOM 476 O ASP A 32 6.209 51.031 69.455 1.00 64.24 O ATOM 477 CB ASP A 32 6.255 48.553 71.801 1.00 40.23 C ATOM 478 CG ASP A 32 6.985 47.790 72.889 1.00 0.14 C ATOM 479 OD1 ASP A 32 8.232 47.842 72.916 1.00 4.31 O ATOM 480 OD2 ASP A 32 6.308 47.142 73.715 1.00 30.44 O ATOM 0 H ASP A 32 7.408 50.031 73.403 1.00 10.44 H new ATOM 0 HA ASP A 32 7.797 49.517 70.656 1.00 13.50 H new ATOM 0 HB2 ASP A 32 5.267 48.839 72.162 1.00 40.23 H new ATOM 0 HB3 ASP A 32 6.103 47.899 70.942 1.00 40.23 H new ATOM 485 N VAL A 33 5.090 51.281 71.390 1.00 33.33 N ATOM 486 CA VAL A 33 4.115 52.211 70.832 1.00 72.54 C ATOM 487 C VAL A 33 4.684 53.624 70.758 1.00 32.01 C ATOM 488 O VAL A 33 4.477 54.338 69.776 1.00 51.44 O ATOM 489 CB VAL A 33 2.820 52.235 71.666 1.00 51.53 C ATOM 490 CG1 VAL A 33 2.135 50.878 71.626 1.00 0.44 C ATOM 491 CG2 VAL A 33 3.117 52.650 73.100 1.00 65.11 C ATOM 0 H VAL A 33 4.955 51.071 72.379 1.00 33.33 H new ATOM 0 HA VAL A 33 3.884 51.861 69.826 1.00 72.54 H new ATOM 0 HB VAL A 33 2.142 52.971 71.233 1.00 51.53 H new ATOM 0 HG11 VAL A 33 1.222 50.914 72.221 1.00 0.44 H new ATOM 0 HG12 VAL A 33 1.887 50.626 70.595 1.00 0.44 H new ATOM 0 HG13 VAL A 33 2.804 50.120 72.034 1.00 0.44 H new ATOM 0 HG21 VAL A 33 2.191 52.662 73.675 1.00 65.11 H new ATOM 0 HG22 VAL A 33 3.813 51.940 73.547 1.00 65.11 H new ATOM 0 HG23 VAL A 33 3.560 53.646 73.106 1.00 65.11 H new ATOM 501 N LYS A 34 5.403 54.022 71.802 1.00 61.14 N ATOM 502 CA LYS A 34 6.005 55.349 71.857 1.00 31.10 C ATOM 503 C LYS A 34 6.647 55.710 70.521 1.00 71.10 C ATOM 504 O LYS A 34 6.534 56.843 70.053 1.00 22.30 O ATOM 505 CB LYS A 34 7.052 55.411 72.971 1.00 71.22 C ATOM 506 CG LYS A 34 8.006 56.587 72.844 1.00 1.33 C ATOM 507 CD LYS A 34 8.205 57.289 74.177 1.00 70.24 C ATOM 508 CE LYS A 34 9.477 58.122 74.184 1.00 65.33 C ATOM 509 NZ LYS A 34 9.574 58.978 75.399 1.00 61.01 N ATOM 0 H LYS A 34 5.583 53.444 72.623 1.00 61.14 H new ATOM 0 HA LYS A 34 5.216 56.070 72.068 1.00 31.10 H new ATOM 0 HB2 LYS A 34 6.543 55.469 73.933 1.00 71.22 H new ATOM 0 HB3 LYS A 34 7.627 54.485 72.969 1.00 71.22 H new ATOM 0 HG2 LYS A 34 8.968 56.238 72.468 1.00 1.33 H new ATOM 0 HG3 LYS A 34 7.617 57.296 72.113 1.00 1.33 H new ATOM 0 HD2 LYS A 34 7.348 57.930 74.383 1.00 70.24 H new ATOM 0 HD3 LYS A 34 8.249 56.549 74.976 1.00 70.24 H new ATOM 0 HE2 LYS A 34 10.343 57.462 74.135 1.00 65.33 H new ATOM 0 HE3 LYS A 34 9.504 58.751 73.294 1.00 65.33 H new ATOM 0 HZ1 LYS A 34 10.455 59.530 75.365 1.00 61.01 H new ATOM 0 HZ2 LYS A 34 8.761 59.626 75.433 1.00 61.01 H new ATOM 0 HZ3 LYS A 34 9.574 58.377 76.248 1.00 61.01 H new ATOM 523 N VAL A 35 7.320 54.739 69.911 1.00 74.05 N ATOM 524 CA VAL A 35 7.978 54.955 68.628 1.00 30.34 C ATOM 525 C VAL A 35 7.041 54.631 67.469 1.00 51.00 C ATOM 526 O VAL A 35 7.223 55.121 66.355 1.00 64.42 O ATOM 527 CB VAL A 35 9.252 54.098 68.499 1.00 73.51 C ATOM 528 CG1 VAL A 35 10.137 54.271 69.723 1.00 74.03 C ATOM 529 CG2 VAL A 35 8.890 52.636 68.294 1.00 3.23 C ATOM 0 H VAL A 35 7.424 53.796 70.285 1.00 74.05 H new ATOM 0 HA VAL A 35 8.253 56.009 68.586 1.00 30.34 H new ATOM 0 HB VAL A 35 9.811 54.436 67.626 1.00 73.51 H new ATOM 0 HG11 VAL A 35 11.032 53.658 69.614 1.00 74.03 H new ATOM 0 HG12 VAL A 35 10.424 55.318 69.820 1.00 74.03 H new ATOM 0 HG13 VAL A 35 9.591 53.961 70.614 1.00 74.03 H new ATOM 0 HG21 VAL A 35 9.801 52.045 68.205 1.00 3.23 H new ATOM 0 HG22 VAL A 35 8.310 52.282 69.146 1.00 3.23 H new ATOM 0 HG23 VAL A 35 8.299 52.532 67.384 1.00 3.23 H new ATOM 539 N TRP A 36 6.039 53.803 67.740 1.00 30.43 N ATOM 540 CA TRP A 36 5.073 53.414 66.720 1.00 2.34 C ATOM 541 C TRP A 36 4.643 54.617 65.889 1.00 30.32 C ATOM 542 O TRP A 36 4.594 54.550 64.661 1.00 21.15 O ATOM 543 CB TRP A 36 3.850 52.762 67.369 1.00 62.41 C ATOM 544 CG TRP A 36 2.779 52.400 66.385 1.00 32.03 C ATOM 545 CD1 TRP A 36 2.058 53.258 65.604 1.00 31.15 C ATOM 546 CD2 TRP A 36 2.306 51.083 66.079 1.00 25.30 C ATOM 547 NE1 TRP A 36 1.166 52.554 64.831 1.00 34.14 N ATOM 548 CE2 TRP A 36 1.299 51.218 65.104 1.00 23.42 C ATOM 549 CE3 TRP A 36 2.637 49.803 66.532 1.00 63.04 C ATOM 550 CZ2 TRP A 36 0.622 50.121 64.576 1.00 11.31 C ATOM 551 CZ3 TRP A 36 1.964 48.716 66.008 1.00 43.04 C ATOM 552 CH2 TRP A 36 0.967 48.880 65.038 1.00 52.30 C ATOM 0 H TRP A 36 5.874 53.388 68.657 1.00 30.43 H new ATOM 0 HA TRP A 36 5.552 52.693 66.058 1.00 2.34 H new ATOM 0 HB2 TRP A 36 4.165 51.864 67.900 1.00 62.41 H new ATOM 0 HB3 TRP A 36 3.436 53.443 68.113 1.00 62.41 H new ATOM 0 HD1 TRP A 36 2.172 54.332 65.595 1.00 31.15 H new ATOM 0 HE1 TRP A 36 0.511 52.960 64.163 1.00 34.14 H new ATOM 0 HE3 TRP A 36 3.405 49.666 67.279 1.00 63.04 H new ATOM 0 HZ2 TRP A 36 -0.148 50.246 63.829 1.00 11.31 H new ATOM 0 HZ3 TRP A 36 2.211 47.723 66.352 1.00 43.04 H new ATOM 0 HH2 TRP A 36 0.461 48.010 64.647 1.00 52.30 H new ATOM 563 N MET A 37 4.332 55.717 66.566 1.00 74.43 N ATOM 564 CA MET A 37 3.907 56.937 65.889 1.00 0.23 C ATOM 565 C MET A 37 5.099 57.655 65.265 1.00 24.40 C ATOM 566 O MET A 37 5.116 57.918 64.063 1.00 42.03 O ATOM 567 CB MET A 37 3.192 57.869 66.870 1.00 1.42 C ATOM 568 CG MET A 37 2.301 57.138 67.862 1.00 44.13 C ATOM 569 SD MET A 37 2.454 57.782 69.539 1.00 62.15 S ATOM 570 CE MET A 37 3.911 56.907 70.105 1.00 53.02 C ATOM 0 H MET A 37 4.366 55.789 67.583 1.00 74.43 H new ATOM 0 HA MET A 37 3.215 56.659 65.094 1.00 0.23 H new ATOM 0 HB2 MET A 37 3.936 58.446 67.419 1.00 1.42 H new ATOM 0 HB3 MET A 37 2.588 58.581 66.308 1.00 1.42 H new ATOM 0 HG2 MET A 37 1.263 57.218 67.540 1.00 44.13 H new ATOM 0 HG3 MET A 37 2.555 56.078 67.860 1.00 44.13 H new ATOM 0 HE1 MET A 37 4.498 57.558 70.753 1.00 53.02 H new ATOM 0 HE2 MET A 37 3.609 56.019 70.661 1.00 53.02 H new ATOM 0 HE3 MET A 37 4.514 56.610 69.247 1.00 53.02 H new ATOM 580 N GLN A 38 6.094 57.969 66.089 1.00 33.42 N ATOM 581 CA GLN A 38 7.289 58.658 65.617 1.00 24.23 C ATOM 582 C GLN A 38 7.791 58.045 64.313 1.00 35.13 C ATOM 583 O GLN A 38 8.284 58.750 63.434 1.00 70.24 O ATOM 584 CB GLN A 38 8.389 58.601 66.677 1.00 42.12 C ATOM 585 CG GLN A 38 9.442 57.539 66.405 1.00 1.45 C ATOM 586 CD GLN A 38 10.599 57.599 67.384 1.00 21.11 C ATOM 587 OE1 GLN A 38 10.578 56.948 68.428 1.00 41.33 O ATOM 588 NE2 GLN A 38 11.617 58.383 67.049 1.00 35.33 N ATOM 0 H GLN A 38 6.096 57.757 67.087 1.00 33.42 H new ATOM 0 HA GLN A 38 7.027 59.700 65.431 1.00 24.23 H new ATOM 0 HB2 GLN A 38 8.875 59.575 66.737 1.00 42.12 H new ATOM 0 HB3 GLN A 38 7.935 58.410 67.650 1.00 42.12 H new ATOM 0 HG2 GLN A 38 8.980 56.553 66.455 1.00 1.45 H new ATOM 0 HG3 GLN A 38 9.822 57.661 65.391 1.00 1.45 H new ATOM 0 HE21 GLN A 38 11.592 58.905 66.173 1.00 35.33 H new ATOM 0 HE22 GLN A 38 12.424 58.463 67.668 1.00 35.33 H new ATOM 597 N ASN A 39 7.661 56.728 64.195 1.00 14.32 N ATOM 598 CA ASN A 39 8.102 56.020 63.000 1.00 63.43 C ATOM 599 C ASN A 39 7.279 56.439 61.785 1.00 61.11 C ATOM 600 O ASN A 39 7.804 56.559 60.677 1.00 72.51 O ATOM 601 CB ASN A 39 7.993 54.508 63.207 1.00 72.00 C ATOM 602 CG ASN A 39 9.333 53.809 63.081 1.00 31.41 C ATOM 603 OD1 ASN A 39 10.313 54.399 62.626 1.00 60.14 O ATOM 604 ND2 ASN A 39 9.381 52.545 63.484 1.00 12.53 N ATOM 0 H ASN A 39 7.253 56.129 64.913 1.00 14.32 H new ATOM 0 HA ASN A 39 9.145 56.280 62.818 1.00 63.43 H new ATOM 0 HB2 ASN A 39 7.573 54.308 64.193 1.00 72.00 H new ATOM 0 HB3 ASN A 39 7.300 54.093 62.476 1.00 72.00 H new ATOM 0 HD21 ASN A 39 10.255 52.023 63.423 1.00 12.53 H new ATOM 0 HD22 ASN A 39 8.544 52.096 63.855 1.00 12.53 H new ATOM 611 N LEU A 40 5.987 56.659 62.001 1.00 64.11 N ATOM 612 CA LEU A 40 5.090 57.065 60.924 1.00 22.12 C ATOM 613 C LEU A 40 5.186 58.567 60.673 1.00 73.10 C ATOM 614 O LEU A 40 4.948 59.035 59.560 1.00 71.21 O ATOM 615 CB LEU A 40 3.648 56.684 61.264 1.00 44.02 C ATOM 616 CG LEU A 40 3.471 55.655 62.381 1.00 73.34 C ATOM 617 CD1 LEU A 40 2.003 55.294 62.546 1.00 64.14 C ATOM 618 CD2 LEU A 40 4.299 54.411 62.095 1.00 40.43 C ATOM 0 H LEU A 40 5.537 56.563 62.911 1.00 64.11 H new ATOM 0 HA LEU A 40 5.392 56.543 60.016 1.00 22.12 H new ATOM 0 HB2 LEU A 40 3.110 57.590 61.543 1.00 44.02 H new ATOM 0 HB3 LEU A 40 3.173 56.297 60.362 1.00 44.02 H new ATOM 0 HG LEU A 40 3.823 56.095 63.314 1.00 73.34 H new ATOM 0 HD11 LEU A 40 1.896 54.561 63.345 1.00 64.14 H new ATOM 0 HD12 LEU A 40 1.434 56.189 62.797 1.00 64.14 H new ATOM 0 HD13 LEU A 40 1.625 54.873 61.614 1.00 64.14 H new ATOM 0 HD21 LEU A 40 4.161 53.689 62.900 1.00 40.43 H new ATOM 0 HD22 LEU A 40 3.977 53.969 61.152 1.00 40.43 H new ATOM 0 HD23 LEU A 40 5.352 54.683 62.028 1.00 40.43 H new ATOM 630 N GLU A 41 5.537 59.314 61.714 1.00 52.24 N ATOM 631 CA GLU A 41 5.665 60.764 61.606 1.00 3.15 C ATOM 632 C GLU A 41 6.684 61.140 60.534 1.00 30.20 C ATOM 633 O GLU A 41 6.474 62.078 59.765 1.00 2.12 O ATOM 634 CB GLU A 41 6.077 61.364 62.951 1.00 13.43 C ATOM 635 CG GLU A 41 5.355 62.657 63.287 1.00 74.40 C ATOM 636 CD GLU A 41 5.523 63.059 64.739 1.00 54.20 C ATOM 637 OE1 GLU A 41 4.807 62.499 65.596 1.00 71.33 O ATOM 638 OE2 GLU A 41 6.369 63.933 65.020 1.00 44.02 O ATOM 0 H GLU A 41 5.738 58.941 62.642 1.00 52.24 H new ATOM 0 HA GLU A 41 4.695 61.169 61.319 1.00 3.15 H new ATOM 0 HB2 GLU A 41 5.885 60.635 63.738 1.00 13.43 H new ATOM 0 HB3 GLU A 41 7.151 61.549 62.943 1.00 13.43 H new ATOM 0 HG2 GLU A 41 5.731 63.455 62.647 1.00 74.40 H new ATOM 0 HG3 GLU A 41 4.294 62.544 63.066 1.00 74.40 H new ATOM 645 N ASP A 42 7.788 60.403 60.491 1.00 41.22 N ATOM 646 CA ASP A 42 8.841 60.658 59.515 1.00 3.22 C ATOM 647 C ASP A 42 8.509 60.008 58.175 1.00 63.21 C ATOM 648 O ASP A 42 8.647 60.628 57.120 1.00 51.01 O ATOM 649 CB ASP A 42 10.183 60.135 60.030 1.00 14.01 C ATOM 650 CG ASP A 42 11.360 60.704 59.262 1.00 31.32 C ATOM 651 OD1 ASP A 42 11.251 60.837 58.025 1.00 41.00 O ATOM 652 OD2 ASP A 42 12.389 61.015 59.898 1.00 60.31 O ATOM 0 H ASP A 42 7.977 59.624 61.121 1.00 41.22 H new ATOM 0 HA ASP A 42 8.912 61.736 59.369 1.00 3.22 H new ATOM 0 HB2 ASP A 42 10.286 60.386 61.086 1.00 14.01 H new ATOM 0 HB3 ASP A 42 10.198 59.047 59.958 1.00 14.01 H new ATOM 657 N LEU A 43 8.071 58.754 58.224 1.00 42.34 N ATOM 658 CA LEU A 43 7.720 58.018 57.014 1.00 42.13 C ATOM 659 C LEU A 43 6.493 58.626 56.344 1.00 55.23 C ATOM 660 O LEU A 43 6.551 59.055 55.191 1.00 33.21 O ATOM 661 CB LEU A 43 7.459 56.548 57.345 1.00 14.22 C ATOM 662 CG LEU A 43 7.796 55.542 56.245 1.00 65.04 C ATOM 663 CD1 LEU A 43 7.061 55.889 54.960 1.00 72.32 C ATOM 664 CD2 LEU A 43 9.298 55.496 56.006 1.00 2.22 C ATOM 0 H LEU A 43 7.951 58.226 59.088 1.00 42.34 H new ATOM 0 HA LEU A 43 8.559 58.084 56.322 1.00 42.13 H new ATOM 0 HB2 LEU A 43 8.033 56.289 58.235 1.00 14.22 H new ATOM 0 HB3 LEU A 43 6.406 56.436 57.602 1.00 14.22 H new ATOM 0 HG LEU A 43 7.469 54.554 56.571 1.00 65.04 H new ATOM 0 HD11 LEU A 43 7.314 55.162 54.189 1.00 72.32 H new ATOM 0 HD12 LEU A 43 5.986 55.869 55.139 1.00 72.32 H new ATOM 0 HD13 LEU A 43 7.356 56.885 54.630 1.00 72.32 H new ATOM 0 HD21 LEU A 43 9.519 54.774 55.220 1.00 2.22 H new ATOM 0 HD22 LEU A 43 9.649 56.482 55.702 1.00 2.22 H new ATOM 0 HD23 LEU A 43 9.804 55.198 56.925 1.00 2.22 H new ATOM 676 N HIS A 44 5.383 58.663 57.074 1.00 11.44 N ATOM 677 CA HIS A 44 4.141 59.221 56.552 1.00 24.32 C ATOM 678 C HIS A 44 4.406 60.519 55.795 1.00 62.51 C ATOM 679 O HIS A 44 3.731 60.826 54.811 1.00 23.02 O ATOM 680 CB HIS A 44 3.151 59.473 57.690 1.00 63.55 C ATOM 681 CG HIS A 44 1.743 59.678 57.224 1.00 63.40 C ATOM 682 ND1 HIS A 44 1.320 60.825 56.586 1.00 21.25 N ATOM 683 CD2 HIS A 44 0.658 58.873 57.305 1.00 4.25 C ATOM 684 CE1 HIS A 44 0.035 60.716 56.297 1.00 70.12 C ATOM 685 NE2 HIS A 44 -0.390 59.540 56.722 1.00 52.11 N ATOM 0 H HIS A 44 5.318 58.313 58.030 1.00 11.44 H new ATOM 0 HA HIS A 44 3.709 58.498 55.860 1.00 24.32 H new ATOM 0 HB2 HIS A 44 3.178 58.628 58.378 1.00 63.55 H new ATOM 0 HB3 HIS A 44 3.471 60.351 58.251 1.00 63.55 H new ATOM 0 HD2 HIS A 44 0.623 57.888 57.747 1.00 4.25 H new ATOM 0 HE1 HIS A 44 -0.566 61.462 55.798 1.00 70.12 H new ATOM 0 HE2 HIS A 44 -1.342 59.185 56.632 1.00 52.11 H new ATOM 693 N THR A 45 5.393 61.279 56.259 1.00 21.13 N ATOM 694 CA THR A 45 5.745 62.544 55.628 1.00 51.11 C ATOM 695 C THR A 45 5.888 62.385 54.119 1.00 20.24 C ATOM 696 O THR A 45 5.359 63.185 53.348 1.00 21.43 O ATOM 697 CB THR A 45 7.059 63.110 56.199 1.00 62.33 C ATOM 698 OG1 THR A 45 6.925 63.331 57.608 1.00 60.14 O ATOM 699 CG2 THR A 45 7.431 64.414 55.510 1.00 64.53 C ATOM 0 H THR A 45 5.963 61.040 57.070 1.00 21.13 H new ATOM 0 HA THR A 45 4.934 63.240 55.842 1.00 51.11 H new ATOM 0 HB THR A 45 7.851 62.383 56.019 1.00 62.33 H new ATOM 0 HG1 THR A 45 6.898 62.469 58.073 1.00 60.14 H new ATOM 0 HG21 THR A 45 8.362 64.795 55.930 1.00 64.53 H new ATOM 0 HG22 THR A 45 7.560 64.237 54.442 1.00 64.53 H new ATOM 0 HG23 THR A 45 6.638 65.146 55.664 1.00 64.53 H new ATOM 707 N ARG A 46 6.605 61.347 53.703 1.00 2.44 N ATOM 708 CA ARG A 46 6.817 61.082 52.285 1.00 44.43 C ATOM 709 C ARG A 46 5.652 60.290 51.699 1.00 63.11 C ATOM 710 O ARG A 46 4.920 60.787 50.843 1.00 30.14 O ATOM 711 CB ARG A 46 8.125 60.315 52.077 1.00 34.34 C ATOM 712 CG ARG A 46 8.924 60.789 50.874 1.00 55.35 C ATOM 713 CD ARG A 46 9.501 62.177 51.102 1.00 73.15 C ATOM 714 NE ARG A 46 10.813 62.127 51.742 1.00 73.30 N ATOM 715 CZ ARG A 46 10.989 62.131 53.059 1.00 15.22 C ATOM 716 NH1 ARG A 46 9.941 62.181 53.871 1.00 63.22 N ATOM 717 NH2 ARG A 46 12.214 62.083 53.566 1.00 11.13 N ATOM 0 H ARG A 46 7.050 60.675 54.328 1.00 2.44 H new ATOM 0 HA ARG A 46 6.879 62.040 51.768 1.00 44.43 H new ATOM 0 HB2 ARG A 46 8.740 60.412 52.972 1.00 34.34 H new ATOM 0 HB3 ARG A 46 7.900 59.255 51.958 1.00 34.34 H new ATOM 0 HG2 ARG A 46 9.732 60.086 50.673 1.00 55.35 H new ATOM 0 HG3 ARG A 46 8.284 60.800 49.992 1.00 55.35 H new ATOM 0 HD2 ARG A 46 9.583 62.697 50.147 1.00 73.15 H new ATOM 0 HD3 ARG A 46 8.817 62.756 51.722 1.00 73.15 H new ATOM 0 HE ARG A 46 11.639 62.087 51.145 1.00 73.30 H new ATOM 0 HH11 ARG A 46 8.998 62.216 53.485 1.00 63.22 H new ATOM 0 HH12 ARG A 46 10.079 62.184 54.882 1.00 63.22 H new ATOM 0 HH21 ARG A 46 13.022 62.043 52.945 1.00 11.13 H new ATOM 0 HH22 ARG A 46 12.348 62.086 54.577 1.00 11.13 H new ATOM 731 N ARG A 47 5.486 59.058 52.166 1.00 4.51 N ATOM 732 CA ARG A 47 4.412 58.196 51.688 1.00 31.50 C ATOM 733 C ARG A 47 3.651 57.575 52.856 1.00 42.21 C ATOM 734 O ARG A 47 4.229 56.936 53.735 1.00 71.33 O ATOM 735 CB ARG A 47 4.974 57.095 50.787 1.00 40.52 C ATOM 736 CG ARG A 47 3.913 56.155 50.239 1.00 74.23 C ATOM 737 CD ARG A 47 4.157 55.836 48.772 1.00 35.33 C ATOM 738 NE ARG A 47 2.923 55.471 48.080 1.00 2.45 N ATOM 739 CZ ARG A 47 2.781 55.514 46.760 1.00 63.42 C ATOM 740 NH1 ARG A 47 3.790 55.905 45.993 1.00 74.13 N ATOM 741 NH2 ARG A 47 1.627 55.165 46.203 1.00 50.44 N ATOM 0 H ARG A 47 6.082 58.633 52.876 1.00 4.51 H new ATOM 0 HA ARG A 47 3.719 58.809 51.111 1.00 31.50 H new ATOM 0 HB2 ARG A 47 5.505 57.555 49.954 1.00 40.52 H new ATOM 0 HB3 ARG A 47 5.705 56.515 51.350 1.00 40.52 H new ATOM 0 HG2 ARG A 47 3.909 55.231 50.818 1.00 74.23 H new ATOM 0 HG3 ARG A 47 2.928 56.608 50.355 1.00 74.23 H new ATOM 0 HD2 ARG A 47 4.605 56.701 48.282 1.00 35.33 H new ATOM 0 HD3 ARG A 47 4.873 55.018 48.693 1.00 35.33 H new ATOM 0 HE ARG A 47 2.127 55.167 48.641 1.00 2.45 H new ATOM 0 HH11 ARG A 47 4.678 56.174 46.416 1.00 74.13 H new ATOM 0 HH12 ARG A 47 3.678 55.937 44.980 1.00 74.13 H new ATOM 0 HH21 ARG A 47 0.848 54.864 46.789 1.00 50.44 H new ATOM 0 HH22 ARG A 47 1.519 55.198 45.189 1.00 50.44 H new ATOM 755 N PRO A 48 2.324 57.767 52.867 1.00 61.30 N ATOM 756 CA PRO A 48 1.456 57.233 53.921 1.00 60.32 C ATOM 757 C PRO A 48 1.335 55.715 53.859 1.00 24.04 C ATOM 758 O PRO A 48 1.537 55.025 54.858 1.00 10.41 O ATOM 759 CB PRO A 48 0.104 57.890 53.633 1.00 32.52 C ATOM 760 CG PRO A 48 0.134 58.198 52.176 1.00 64.12 C ATOM 761 CD PRO A 48 1.568 58.518 51.851 1.00 24.11 C ATOM 0 HA PRO A 48 1.845 57.446 54.917 1.00 60.32 H new ATOM 0 HB2 PRO A 48 -0.721 57.222 53.879 1.00 32.52 H new ATOM 0 HB3 PRO A 48 -0.031 58.795 54.226 1.00 32.52 H new ATOM 0 HG2 PRO A 48 -0.219 57.349 51.590 1.00 64.12 H new ATOM 0 HG3 PRO A 48 -0.517 59.040 51.941 1.00 64.12 H new ATOM 0 HD2 PRO A 48 1.831 58.204 50.841 1.00 24.11 H new ATOM 0 HD3 PRO A 48 1.765 59.588 51.913 1.00 24.11 H new ATOM 769 N ASP A 49 1.005 55.200 52.679 1.00 15.33 N ATOM 770 CA ASP A 49 0.858 53.762 52.487 1.00 42.11 C ATOM 771 C ASP A 49 2.065 53.013 53.045 1.00 41.01 C ATOM 772 O ASP A 49 1.968 51.840 53.403 1.00 15.34 O ATOM 773 CB ASP A 49 0.684 53.439 51.003 1.00 71.41 C ATOM 774 CG ASP A 49 0.119 52.051 50.774 1.00 21.20 C ATOM 775 OD1 ASP A 49 -0.774 51.640 51.543 1.00 22.45 O ATOM 776 OD2 ASP A 49 0.570 51.376 49.825 1.00 61.45 O ATOM 0 H ASP A 49 0.834 55.757 51.842 1.00 15.33 H new ATOM 0 HA ASP A 49 -0.031 53.437 53.028 1.00 42.11 H new ATOM 0 HB2 ASP A 49 0.022 54.177 50.549 1.00 71.41 H new ATOM 0 HB3 ASP A 49 1.648 53.523 50.501 1.00 71.41 H new ATOM 781 N GLU A 50 3.201 53.700 53.113 1.00 54.24 N ATOM 782 CA GLU A 50 4.426 53.099 53.626 1.00 44.45 C ATOM 783 C GLU A 50 4.552 53.317 55.131 1.00 3.24 C ATOM 784 O GLU A 50 5.260 52.582 55.819 1.00 2.21 O ATOM 785 CB GLU A 50 5.647 53.686 52.912 1.00 20.25 C ATOM 786 CG GLU A 50 6.913 52.868 53.100 1.00 71.05 C ATOM 787 CD GLU A 50 6.913 51.593 52.279 1.00 13.12 C ATOM 788 OE1 GLU A 50 6.242 50.623 52.690 1.00 72.33 O ATOM 789 OE2 GLU A 50 7.583 51.566 51.226 1.00 3.51 O ATOM 0 H GLU A 50 3.298 54.672 52.820 1.00 54.24 H new ATOM 0 HA GLU A 50 4.381 52.027 53.434 1.00 44.45 H new ATOM 0 HB2 GLU A 50 5.431 53.766 51.847 1.00 20.25 H new ATOM 0 HB3 GLU A 50 5.820 54.698 53.279 1.00 20.25 H new ATOM 0 HG2 GLU A 50 7.776 53.473 52.824 1.00 71.05 H new ATOM 0 HG3 GLU A 50 7.025 52.616 54.155 1.00 71.05 H new ATOM 796 N PHE A 51 3.858 54.332 55.636 1.00 4.03 N ATOM 797 CA PHE A 51 3.892 54.648 57.059 1.00 2.33 C ATOM 798 C PHE A 51 3.703 53.389 57.900 1.00 51.30 C ATOM 799 O PHE A 51 4.380 53.196 58.911 1.00 4.20 O ATOM 800 CB PHE A 51 2.808 55.672 57.401 1.00 2.30 C ATOM 801 CG PHE A 51 1.607 55.071 58.075 1.00 64.51 C ATOM 802 CD1 PHE A 51 1.726 54.447 59.305 1.00 25.14 C ATOM 803 CD2 PHE A 51 0.359 55.131 57.475 1.00 61.42 C ATOM 804 CE1 PHE A 51 0.623 53.893 59.927 1.00 73.43 C ATOM 805 CE2 PHE A 51 -0.748 54.581 58.092 1.00 4.22 C ATOM 806 CZ PHE A 51 -0.616 53.959 59.318 1.00 54.42 C ATOM 0 H PHE A 51 3.266 54.949 55.081 1.00 4.03 H new ATOM 0 HA PHE A 51 4.869 55.073 57.289 1.00 2.33 H new ATOM 0 HB2 PHE A 51 3.234 56.437 58.050 1.00 2.30 H new ATOM 0 HB3 PHE A 51 2.489 56.171 56.486 1.00 2.30 H new ATOM 0 HD1 PHE A 51 2.692 54.392 59.784 1.00 25.14 H new ATOM 0 HD2 PHE A 51 0.251 55.613 56.515 1.00 61.42 H new ATOM 0 HE1 PHE A 51 0.729 53.410 60.887 1.00 73.43 H new ATOM 0 HE2 PHE A 51 -1.716 54.637 57.616 1.00 4.22 H new ATOM 0 HZ PHE A 51 -1.479 53.525 59.800 1.00 54.42 H new ATOM 816 N THR A 52 2.776 52.536 57.478 1.00 65.11 N ATOM 817 CA THR A 52 2.494 51.297 58.192 1.00 5.10 C ATOM 818 C THR A 52 3.618 50.284 57.999 1.00 60.31 C ATOM 819 O THR A 52 3.779 49.363 58.799 1.00 44.04 O ATOM 820 CB THR A 52 1.168 50.669 57.727 1.00 31.42 C ATOM 821 OG1 THR A 52 1.341 50.042 56.451 1.00 42.05 O ATOM 822 CG2 THR A 52 0.074 51.722 57.634 1.00 23.51 C ATOM 0 H THR A 52 2.207 52.681 56.644 1.00 65.11 H new ATOM 0 HA THR A 52 2.415 51.552 59.249 1.00 5.10 H new ATOM 0 HB THR A 52 0.871 49.920 58.461 1.00 31.42 H new ATOM 0 HG1 THR A 52 0.493 49.644 56.164 1.00 42.05 H new ATOM 0 HG21 THR A 52 -0.854 51.255 57.303 1.00 23.51 H new ATOM 0 HG22 THR A 52 -0.077 52.177 58.613 1.00 23.51 H new ATOM 0 HG23 THR A 52 0.368 52.490 56.919 1.00 23.51 H new ATOM 830 N ALA A 53 4.391 50.460 56.933 1.00 65.51 N ATOM 831 CA ALA A 53 5.501 49.563 56.636 1.00 20.34 C ATOM 832 C ALA A 53 6.653 49.773 57.613 1.00 55.10 C ATOM 833 O ALA A 53 7.504 48.901 57.780 1.00 70.13 O ATOM 834 CB ALA A 53 5.976 49.766 55.205 1.00 20.33 C ATOM 0 H ALA A 53 4.269 51.216 56.260 1.00 65.51 H new ATOM 0 HA ALA A 53 5.147 48.538 56.747 1.00 20.34 H new ATOM 0 HB1 ALA A 53 6.805 49.090 54.997 1.00 20.33 H new ATOM 0 HB2 ALA A 53 5.157 49.558 54.517 1.00 20.33 H new ATOM 0 HB3 ALA A 53 6.307 50.796 55.074 1.00 20.33 H new ATOM 840 N ARG A 54 6.672 50.937 58.255 1.00 2.42 N ATOM 841 CA ARG A 54 7.721 51.262 59.214 1.00 72.05 C ATOM 842 C ARG A 54 7.643 50.351 60.436 1.00 33.31 C ATOM 843 O ARG A 54 8.539 49.541 60.679 1.00 63.31 O ATOM 844 CB ARG A 54 7.609 52.725 59.648 1.00 1.52 C ATOM 845 CG ARG A 54 8.843 53.243 60.368 1.00 43.00 C ATOM 846 CD ARG A 54 9.977 53.527 59.395 1.00 22.31 C ATOM 847 NE ARG A 54 10.514 54.875 59.558 1.00 22.32 N ATOM 848 CZ ARG A 54 11.544 55.346 58.863 1.00 4.14 C ATOM 849 NH1 ARG A 54 12.144 54.580 57.961 1.00 34.30 N ATOM 850 NH2 ARG A 54 11.975 56.583 59.068 1.00 75.41 N ATOM 0 H ARG A 54 5.974 51.670 58.128 1.00 2.42 H new ATOM 0 HA ARG A 54 8.684 51.106 58.727 1.00 72.05 H new ATOM 0 HB2 ARG A 54 7.426 53.343 58.769 1.00 1.52 H new ATOM 0 HB3 ARG A 54 6.744 52.836 60.302 1.00 1.52 H new ATOM 0 HG2 ARG A 54 8.593 54.153 60.913 1.00 43.00 H new ATOM 0 HG3 ARG A 54 9.170 52.510 61.106 1.00 43.00 H new ATOM 0 HD2 ARG A 54 10.774 52.799 59.545 1.00 22.31 H new ATOM 0 HD3 ARG A 54 9.618 53.401 58.374 1.00 22.31 H new ATOM 0 HE ARG A 54 10.074 55.489 60.243 1.00 22.32 H new ATOM 0 HH11 ARG A 54 11.815 53.628 57.800 1.00 34.30 H new ATOM 0 HH12 ARG A 54 12.934 54.943 57.428 1.00 34.30 H new ATOM 0 HH21 ARG A 54 11.516 57.175 59.760 1.00 75.41 H new ATOM 0 HH22 ARG A 54 12.766 56.943 58.534 1.00 75.41 H new ATOM 864 N LEU A 55 6.567 50.488 61.203 1.00 71.42 N ATOM 865 CA LEU A 55 6.371 49.678 62.400 1.00 61.42 C ATOM 866 C LEU A 55 6.026 48.239 62.033 1.00 25.42 C ATOM 867 O LEU A 55 6.166 47.330 62.850 1.00 25.03 O ATOM 868 CB LEU A 55 5.261 50.275 63.267 1.00 52.34 C ATOM 869 CG LEU A 55 3.837 50.129 62.731 1.00 63.12 C ATOM 870 CD1 LEU A 55 3.715 50.776 61.360 1.00 62.21 C ATOM 871 CD2 LEU A 55 3.438 48.662 62.668 1.00 45.22 C ATOM 0 H LEU A 55 5.816 51.153 61.017 1.00 71.42 H new ATOM 0 HA LEU A 55 7.304 49.676 62.964 1.00 61.42 H new ATOM 0 HB2 LEU A 55 5.306 49.809 64.251 1.00 52.34 H new ATOM 0 HB3 LEU A 55 5.468 51.336 63.407 1.00 52.34 H new ATOM 0 HG LEU A 55 3.158 50.640 63.414 1.00 63.12 H new ATOM 0 HD11 LEU A 55 2.695 50.663 60.994 1.00 62.21 H new ATOM 0 HD12 LEU A 55 3.958 51.836 61.435 1.00 62.21 H new ATOM 0 HD13 LEU A 55 4.405 50.294 60.667 1.00 62.21 H new ATOM 0 HD21 LEU A 55 2.421 48.578 62.284 1.00 45.22 H new ATOM 0 HD22 LEU A 55 4.121 48.127 62.008 1.00 45.22 H new ATOM 0 HD23 LEU A 55 3.486 48.229 63.667 1.00 45.22 H new ATOM 883 N GLN A 56 5.576 48.040 60.798 1.00 23.44 N ATOM 884 CA GLN A 56 5.212 46.710 60.322 1.00 60.05 C ATOM 885 C GLN A 56 6.299 45.696 60.660 1.00 23.13 C ATOM 886 O GLN A 56 6.014 44.522 60.895 1.00 71.52 O ATOM 887 CB GLN A 56 4.971 46.734 58.811 1.00 34.03 C ATOM 888 CG GLN A 56 4.915 45.351 58.183 1.00 44.34 C ATOM 889 CD GLN A 56 3.533 44.733 58.253 1.00 74.42 C ATOM 890 OE1 GLN A 56 2.526 45.410 58.040 1.00 62.42 O ATOM 891 NE2 GLN A 56 3.476 43.441 58.551 1.00 31.02 N ATOM 0 H GLN A 56 5.455 48.782 60.109 1.00 23.44 H new ATOM 0 HA GLN A 56 4.292 46.410 60.824 1.00 60.05 H new ATOM 0 HB2 GLN A 56 4.035 47.254 58.609 1.00 34.03 H new ATOM 0 HB3 GLN A 56 5.765 47.309 58.334 1.00 34.03 H new ATOM 0 HG2 GLN A 56 5.227 45.417 57.141 1.00 44.34 H new ATOM 0 HG3 GLN A 56 5.627 44.698 58.688 1.00 44.34 H new ATOM 0 HE21 GLN A 56 4.335 42.918 58.720 1.00 31.02 H new ATOM 0 HE22 GLN A 56 2.573 42.971 58.611 1.00 31.02 H new ATOM 900 N GLN A 57 7.546 46.156 60.681 1.00 33.31 N ATOM 901 CA GLN A 57 8.676 45.288 60.990 1.00 24.44 C ATOM 902 C GLN A 57 8.738 44.985 62.482 1.00 43.31 C ATOM 903 O GLN A 57 9.073 43.871 62.886 1.00 14.22 O ATOM 904 CB GLN A 57 9.983 45.935 60.532 1.00 41.03 C ATOM 905 CG GLN A 57 10.174 45.925 59.024 1.00 1.31 C ATOM 906 CD GLN A 57 10.940 44.709 58.541 1.00 33.04 C ATOM 907 OE1 GLN A 57 10.916 43.653 59.175 1.00 34.32 O ATOM 908 NE2 GLN A 57 11.625 44.850 57.413 1.00 4.11 N ATOM 0 H GLN A 57 7.799 47.125 60.488 1.00 33.31 H new ATOM 0 HA GLN A 57 8.538 44.349 60.454 1.00 24.44 H new ATOM 0 HB2 GLN A 57 10.012 46.965 60.886 1.00 41.03 H new ATOM 0 HB3 GLN A 57 10.819 45.414 60.999 1.00 41.03 H new ATOM 0 HG2 GLN A 57 9.199 45.952 58.538 1.00 1.31 H new ATOM 0 HG3 GLN A 57 10.705 46.828 58.723 1.00 1.31 H new ATOM 0 HE21 GLN A 57 11.617 45.743 56.920 1.00 4.11 H new ATOM 0 HE22 GLN A 57 12.159 44.066 57.039 1.00 4.11 H new ATOM 917 N SER A 58 8.415 45.983 63.298 1.00 62.24 N ATOM 918 CA SER A 58 8.439 45.826 64.747 1.00 4.13 C ATOM 919 C SER A 58 7.216 45.051 65.230 1.00 21.52 C ATOM 920 O SER A 58 7.337 43.963 65.793 1.00 73.41 O ATOM 921 CB SER A 58 8.492 47.193 65.430 1.00 52.23 C ATOM 922 OG SER A 58 7.345 47.964 65.119 1.00 33.31 O ATOM 0 H SER A 58 8.133 46.910 62.980 1.00 62.24 H new ATOM 0 HA SER A 58 9.334 45.262 65.011 1.00 4.13 H new ATOM 0 HB2 SER A 58 8.563 47.061 66.510 1.00 52.23 H new ATOM 0 HB3 SER A 58 9.389 47.726 65.114 1.00 52.23 H new ATOM 0 HG SER A 58 7.141 47.877 64.164 1.00 33.31 H new ATOM 928 N THR A 59 6.035 45.621 65.003 1.00 4.41 N ATOM 929 CA THR A 59 4.790 44.987 65.414 1.00 10.45 C ATOM 930 C THR A 59 4.805 43.493 65.108 1.00 63.24 C ATOM 931 O THR A 59 4.072 42.717 65.721 1.00 10.42 O ATOM 932 CB THR A 59 3.575 45.630 64.719 1.00 65.43 C ATOM 933 OG1 THR A 59 2.362 45.138 65.296 1.00 23.35 O ATOM 934 CG2 THR A 59 3.589 45.335 63.226 1.00 32.35 C ATOM 0 H THR A 59 5.916 46.520 64.537 1.00 4.41 H new ATOM 0 HA THR A 59 4.702 45.133 66.491 1.00 10.45 H new ATOM 0 HB THR A 59 3.631 46.709 64.862 1.00 65.43 H new ATOM 0 HG1 THR A 59 1.595 45.553 64.849 1.00 23.35 H new ATOM 0 HG21 THR A 59 2.722 45.799 62.755 1.00 32.35 H new ATOM 0 HG22 THR A 59 4.500 45.738 62.784 1.00 32.35 H new ATOM 0 HG23 THR A 59 3.555 44.257 63.068 1.00 32.35 H new ATOM 942 N ASP A 60 5.644 43.098 64.157 1.00 74.21 N ATOM 943 CA ASP A 60 5.756 41.696 63.771 1.00 62.15 C ATOM 944 C ASP A 60 5.982 40.812 64.993 1.00 63.33 C ATOM 945 O ASP A 60 5.348 39.768 65.141 1.00 61.24 O ATOM 946 CB ASP A 60 6.900 41.510 62.773 1.00 62.53 C ATOM 947 CG ASP A 60 6.444 40.852 61.485 1.00 53.44 C ATOM 948 OD1 ASP A 60 6.116 39.648 61.519 1.00 14.13 O ATOM 949 OD2 ASP A 60 6.416 41.541 60.444 1.00 73.33 O ATOM 0 H ASP A 60 6.256 43.728 63.639 1.00 74.21 H new ATOM 0 HA ASP A 60 4.820 41.399 63.299 1.00 62.15 H new ATOM 0 HB2 ASP A 60 7.341 42.480 62.545 1.00 62.53 H new ATOM 0 HB3 ASP A 60 7.682 40.904 63.230 1.00 62.53 H new ATOM 954 N ALA A 61 6.890 41.238 65.865 1.00 31.21 N ATOM 955 CA ALA A 61 7.199 40.485 67.074 1.00 0.30 C ATOM 956 C ALA A 61 5.925 40.064 67.799 1.00 51.24 C ATOM 957 O ALA A 61 5.719 38.882 68.078 1.00 33.23 O ATOM 958 CB ALA A 61 8.085 41.309 67.997 1.00 3.21 C ATOM 0 H ALA A 61 7.424 42.100 65.757 1.00 31.21 H new ATOM 0 HA ALA A 61 7.736 39.582 66.783 1.00 0.30 H new ATOM 0 HB1 ALA A 61 8.308 40.734 68.896 1.00 3.21 H new ATOM 0 HB2 ALA A 61 9.015 41.556 67.484 1.00 3.21 H new ATOM 0 HB3 ALA A 61 7.568 42.228 68.273 1.00 3.21 H new ATOM 964 N LEU A 62 5.073 41.038 68.103 1.00 3.54 N ATOM 965 CA LEU A 62 3.819 40.768 68.796 1.00 51.22 C ATOM 966 C LEU A 62 2.845 40.020 67.891 1.00 44.02 C ATOM 967 O LEU A 62 2.239 39.029 68.298 1.00 71.20 O ATOM 968 CB LEU A 62 3.186 42.076 69.274 1.00 74.23 C ATOM 969 CG LEU A 62 2.249 41.968 70.478 1.00 21.33 C ATOM 970 CD1 LEU A 62 2.981 41.382 71.674 1.00 13.05 C ATOM 971 CD2 LEU A 62 1.663 43.330 70.822 1.00 64.14 C ATOM 0 H LEU A 62 5.228 42.021 67.880 1.00 3.54 H new ATOM 0 HA LEU A 62 4.038 40.140 69.659 1.00 51.22 H new ATOM 0 HB2 LEU A 62 3.986 42.774 69.523 1.00 74.23 H new ATOM 0 HB3 LEU A 62 2.630 42.512 68.444 1.00 74.23 H new ATOM 0 HG LEU A 62 1.430 41.298 70.217 1.00 21.33 H new ATOM 0 HD11 LEU A 62 2.298 41.313 72.521 1.00 13.05 H new ATOM 0 HD12 LEU A 62 3.350 40.387 71.423 1.00 13.05 H new ATOM 0 HD13 LEU A 62 3.821 42.025 71.937 1.00 13.05 H new ATOM 0 HD21 LEU A 62 0.999 43.234 71.681 1.00 64.14 H new ATOM 0 HD22 LEU A 62 2.469 44.023 71.063 1.00 64.14 H new ATOM 0 HD23 LEU A 62 1.100 43.710 69.969 1.00 64.14 H new ATOM 983 N TYR A 63 2.703 40.501 66.661 1.00 4.14 N ATOM 984 CA TYR A 63 1.803 39.878 65.697 1.00 61.30 C ATOM 985 C TYR A 63 1.981 38.363 65.685 1.00 64.14 C ATOM 986 O TYR A 63 1.010 37.611 65.772 1.00 74.11 O ATOM 987 CB TYR A 63 2.052 40.443 64.297 1.00 11.24 C ATOM 988 CG TYR A 63 0.810 41.003 63.641 1.00 23.24 C ATOM 989 CD1 TYR A 63 0.367 42.288 63.930 1.00 44.44 C ATOM 990 CD2 TYR A 63 0.078 40.247 62.732 1.00 54.34 C ATOM 991 CE1 TYR A 63 -0.767 42.804 63.334 1.00 72.42 C ATOM 992 CE2 TYR A 63 -1.056 40.756 62.131 1.00 20.14 C ATOM 993 CZ TYR A 63 -1.474 42.035 62.434 1.00 13.24 C ATOM 994 OH TYR A 63 -2.605 42.545 61.838 1.00 4.11 O ATOM 0 H TYR A 63 3.199 41.319 66.308 1.00 4.14 H new ATOM 0 HA TYR A 63 0.779 40.103 65.996 1.00 61.30 H new ATOM 0 HB2 TYR A 63 2.805 41.228 64.360 1.00 11.24 H new ATOM 0 HB3 TYR A 63 2.464 39.656 63.665 1.00 11.24 H new ATOM 0 HD1 TYR A 63 0.919 42.894 64.633 1.00 44.44 H new ATOM 0 HD2 TYR A 63 0.402 39.245 62.492 1.00 54.34 H new ATOM 0 HE1 TYR A 63 -1.098 43.804 63.572 1.00 72.42 H new ATOM 0 HE2 TYR A 63 -1.613 40.156 61.427 1.00 20.14 H new ATOM 0 HH TYR A 63 -2.845 43.394 62.265 1.00 4.11 H new ATOM 1004 N SER A 64 3.231 37.921 65.578 1.00 30.52 N ATOM 1005 CA SER A 64 3.538 36.496 65.551 1.00 13.13 C ATOM 1006 C SER A 64 3.608 35.929 66.966 1.00 61.45 C ATOM 1007 O SER A 64 3.053 34.867 67.250 1.00 45.34 O ATOM 1008 CB SER A 64 4.861 36.251 64.825 1.00 63.10 C ATOM 1009 OG SER A 64 4.660 35.511 63.634 1.00 22.21 O ATOM 0 H SER A 64 4.047 38.530 65.509 1.00 30.52 H new ATOM 0 HA SER A 64 2.738 35.987 65.013 1.00 13.13 H new ATOM 0 HB2 SER A 64 5.332 37.205 64.589 1.00 63.10 H new ATOM 0 HB3 SER A 64 5.545 35.712 65.481 1.00 63.10 H new ATOM 0 HG SER A 64 5.521 35.369 63.188 1.00 22.21 H new ATOM 1015 N HIS A 65 4.295 36.646 67.850 1.00 14.23 N ATOM 1016 CA HIS A 65 4.438 36.216 69.236 1.00 3.00 C ATOM 1017 C HIS A 65 3.094 35.785 69.814 1.00 31.35 C ATOM 1018 O HIS A 65 3.015 34.827 70.584 1.00 13.22 O ATOM 1019 CB HIS A 65 5.032 37.342 70.083 1.00 5.40 C ATOM 1020 CG HIS A 65 5.007 37.063 71.554 1.00 62.21 C ATOM 1021 ND1 HIS A 65 5.511 35.907 72.110 1.00 24.40 N ATOM 1022 CD2 HIS A 65 4.534 37.800 72.586 1.00 1.25 C ATOM 1023 CE1 HIS A 65 5.348 35.943 73.420 1.00 42.23 C ATOM 1024 NE2 HIS A 65 4.758 37.081 73.735 1.00 72.33 N ATOM 0 H HIS A 65 4.761 37.527 67.631 1.00 14.23 H new ATOM 0 HA HIS A 65 5.113 35.360 69.256 1.00 3.00 H new ATOM 0 HB2 HIS A 65 6.062 37.515 69.772 1.00 5.40 H new ATOM 0 HB3 HIS A 65 4.481 38.262 69.887 1.00 5.40 H new ATOM 0 HD2 HIS A 65 4.068 38.772 72.519 1.00 1.25 H new ATOM 0 HE1 HIS A 65 5.647 35.172 74.115 1.00 42.23 H new ATOM 0 HE2 HIS A 65 4.509 37.378 74.678 1.00 72.33 H new ATOM 1032 N LEU A 66 2.038 36.498 69.438 1.00 30.23 N ATOM 1033 CA LEU A 66 0.696 36.190 69.918 1.00 55.32 C ATOM 1034 C LEU A 66 0.161 34.921 69.264 1.00 13.44 C ATOM 1035 O LEU A 66 -0.143 33.942 69.945 1.00 13.52 O ATOM 1036 CB LEU A 66 -0.249 37.360 69.636 1.00 52.20 C ATOM 1037 CG LEU A 66 -1.526 37.410 70.477 1.00 44.41 C ATOM 1038 CD1 LEU A 66 -1.367 38.389 71.631 1.00 64.33 C ATOM 1039 CD2 LEU A 66 -2.719 37.788 69.614 1.00 60.42 C ATOM 0 H LEU A 66 2.086 37.294 68.802 1.00 30.23 H new ATOM 0 HA LEU A 66 0.751 36.026 70.994 1.00 55.32 H new ATOM 0 HB2 LEU A 66 0.300 38.289 69.789 1.00 52.20 H new ATOM 0 HB3 LEU A 66 -0.532 37.327 68.584 1.00 52.20 H new ATOM 0 HG LEU A 66 -1.704 36.418 70.892 1.00 44.41 H new ATOM 0 HD11 LEU A 66 -2.285 38.411 72.218 1.00 64.33 H new ATOM 0 HD12 LEU A 66 -0.538 38.073 72.265 1.00 64.33 H new ATOM 0 HD13 LEU A 66 -1.163 39.385 71.238 1.00 64.33 H new ATOM 0 HD21 LEU A 66 -3.618 37.819 70.229 1.00 60.42 H new ATOM 0 HD22 LEU A 66 -2.550 38.769 69.169 1.00 60.42 H new ATOM 0 HD23 LEU A 66 -2.845 37.048 68.824 1.00 60.42 H new ATOM 1051 N GLU A 67 0.052 34.943 67.940 1.00 54.01 N ATOM 1052 CA GLU A 67 -0.445 33.792 67.194 1.00 53.45 C ATOM 1053 C GLU A 67 0.343 32.535 67.548 1.00 1.51 C ATOM 1054 O GLU A 67 -0.194 31.428 67.531 1.00 25.50 O ATOM 1055 CB GLU A 67 -0.359 34.056 65.690 1.00 73.03 C ATOM 1056 CG GLU A 67 -1.268 33.162 64.863 1.00 61.12 C ATOM 1057 CD GLU A 67 -0.531 31.986 64.253 1.00 61.13 C ATOM 1058 OE1 GLU A 67 0.378 32.219 63.428 1.00 21.13 O ATOM 1059 OE2 GLU A 67 -0.863 30.833 64.598 1.00 73.03 O ATOM 0 H GLU A 67 0.301 35.745 67.361 1.00 54.01 H new ATOM 0 HA GLU A 67 -1.488 33.635 67.468 1.00 53.45 H new ATOM 0 HB2 GLU A 67 -0.615 35.098 65.497 1.00 73.03 H new ATOM 0 HB3 GLU A 67 0.671 33.915 65.363 1.00 73.03 H new ATOM 0 HG2 GLU A 67 -2.078 32.792 65.492 1.00 61.12 H new ATOM 0 HG3 GLU A 67 -1.726 33.751 64.068 1.00 61.12 H new ATOM 1066 N ALA A 68 1.621 32.714 67.868 1.00 23.31 N ATOM 1067 CA ALA A 68 2.482 31.595 68.226 1.00 40.43 C ATOM 1068 C ALA A 68 2.344 31.246 69.705 1.00 22.30 C ATOM 1069 O ALA A 68 1.952 30.134 70.055 1.00 3.35 O ATOM 1070 CB ALA A 68 3.932 31.916 67.892 1.00 71.44 C ATOM 0 H ALA A 68 2.082 33.624 67.886 1.00 23.31 H new ATOM 0 HA ALA A 68 2.169 30.728 67.644 1.00 40.43 H new ATOM 0 HB1 ALA A 68 4.564 31.071 68.165 1.00 71.44 H new ATOM 0 HB2 ALA A 68 4.025 32.109 66.823 1.00 71.44 H new ATOM 0 HB3 ALA A 68 4.247 32.799 68.448 1.00 71.44 H new ATOM 1076 N GLN A 69 2.669 32.205 70.567 1.00 13.12 N ATOM 1077 CA GLN A 69 2.581 31.998 72.007 1.00 11.12 C ATOM 1078 C GLN A 69 1.147 31.689 72.426 1.00 54.52 C ATOM 1079 O GLN A 69 0.877 30.652 73.032 1.00 31.10 O ATOM 1080 CB GLN A 69 3.089 33.232 72.754 1.00 34.41 C ATOM 1081 CG GLN A 69 3.449 32.961 74.205 1.00 12.11 C ATOM 1082 CD GLN A 69 4.456 31.837 74.356 1.00 32.41 C ATOM 1083 OE1 GLN A 69 4.117 30.662 74.215 1.00 41.51 O ATOM 1084 NE2 GLN A 69 5.703 32.194 74.642 1.00 1.53 N ATOM 0 H GLN A 69 2.995 33.132 70.293 1.00 13.12 H new ATOM 0 HA GLN A 69 3.207 31.144 72.264 1.00 11.12 H new ATOM 0 HB2 GLN A 69 3.966 33.623 72.238 1.00 34.41 H new ATOM 0 HB3 GLN A 69 2.325 34.008 72.717 1.00 34.41 H new ATOM 0 HG2 GLN A 69 3.854 33.869 74.651 1.00 12.11 H new ATOM 0 HG3 GLN A 69 2.544 32.710 74.759 1.00 12.11 H new ATOM 0 HE21 GLN A 69 5.939 33.180 74.750 1.00 1.53 H new ATOM 0 HE22 GLN A 69 6.425 31.482 74.754 1.00 1.53 H new ATOM 1093 N TRP A 70 0.233 32.596 72.102 1.00 1.21 N ATOM 1094 CA TRP A 70 -1.173 32.420 72.446 1.00 74.53 C ATOM 1095 C TRP A 70 -1.691 31.073 71.952 1.00 51.15 C ATOM 1096 O TRP A 70 -2.584 30.483 72.557 1.00 3.43 O ATOM 1097 CB TRP A 70 -2.012 33.552 71.847 1.00 44.34 C ATOM 1098 CG TRP A 70 -3.357 33.699 72.490 1.00 43.10 C ATOM 1099 CD1 TRP A 70 -4.468 32.942 72.248 1.00 42.22 C ATOM 1100 CD2 TRP A 70 -3.734 34.663 73.479 1.00 1.40 C ATOM 1101 NE1 TRP A 70 -5.512 33.377 73.027 1.00 72.50 N ATOM 1102 CE2 TRP A 70 -5.087 34.431 73.792 1.00 23.13 C ATOM 1103 CE3 TRP A 70 -3.059 35.696 74.133 1.00 72.35 C ATOM 1104 CZ2 TRP A 70 -5.776 35.197 74.728 1.00 73.43 C ATOM 1105 CZ3 TRP A 70 -3.744 36.457 75.062 1.00 22.23 C ATOM 1106 CH2 TRP A 70 -5.091 36.204 75.353 1.00 30.41 C ATOM 0 H TRP A 70 0.440 33.460 71.602 1.00 1.21 H new ATOM 0 HA TRP A 70 -1.261 32.446 73.532 1.00 74.53 H new ATOM 0 HB2 TRP A 70 -1.466 34.490 71.945 1.00 44.34 H new ATOM 0 HB3 TRP A 70 -2.145 33.371 70.780 1.00 44.34 H new ATOM 0 HD1 TRP A 70 -4.518 32.122 71.547 1.00 42.22 H new ATOM 0 HE1 TRP A 70 -6.451 32.980 73.035 1.00 72.50 H new ATOM 0 HE3 TRP A 70 -2.020 35.897 73.917 1.00 72.35 H new ATOM 0 HZ2 TRP A 70 -6.814 35.004 74.953 1.00 73.43 H new ATOM 0 HZ3 TRP A 70 -3.232 37.260 75.572 1.00 22.23 H new ATOM 0 HH2 TRP A 70 -5.599 36.815 76.084 1.00 30.41 H new ATOM 1117 N ALA A 71 -1.123 30.594 70.851 1.00 44.22 N ATOM 1118 CA ALA A 71 -1.525 29.315 70.279 1.00 20.11 C ATOM 1119 C ALA A 71 -1.668 28.250 71.361 1.00 5.14 C ATOM 1120 O ALA A 71 -2.518 27.364 71.266 1.00 42.54 O ATOM 1121 CB ALA A 71 -0.522 28.868 69.226 1.00 50.53 C ATOM 0 H ALA A 71 -0.383 31.072 70.337 1.00 44.22 H new ATOM 0 HA ALA A 71 -2.498 29.448 69.805 1.00 20.11 H new ATOM 0 HB1 ALA A 71 -0.835 27.911 68.808 1.00 50.53 H new ATOM 0 HB2 ALA A 71 -0.472 29.613 68.432 1.00 50.53 H new ATOM 0 HB3 ALA A 71 0.461 28.759 69.683 1.00 50.53 H new ATOM 1127 N LYS A 72 -0.831 28.342 72.389 1.00 22.54 N ATOM 1128 CA LYS A 72 -0.864 27.387 73.490 1.00 3.42 C ATOM 1129 C LYS A 72 -2.215 27.420 74.199 1.00 45.34 C ATOM 1130 O LYS A 72 -2.757 26.378 74.566 1.00 32.33 O ATOM 1131 CB LYS A 72 0.255 27.690 74.489 1.00 44.13 C ATOM 1132 CG LYS A 72 1.647 27.437 73.937 1.00 64.02 C ATOM 1133 CD LYS A 72 1.999 25.959 73.966 1.00 44.43 C ATOM 1134 CE LYS A 72 1.595 25.263 72.675 1.00 73.13 C ATOM 1135 NZ LYS A 72 2.770 24.692 71.962 1.00 63.13 N ATOM 0 H LYS A 72 -0.121 29.069 72.482 1.00 22.54 H new ATOM 0 HA LYS A 72 -0.714 26.389 73.077 1.00 3.42 H new ATOM 0 HB2 LYS A 72 0.180 28.732 74.800 1.00 44.13 H new ATOM 0 HB3 LYS A 72 0.110 27.080 75.380 1.00 44.13 H new ATOM 0 HG2 LYS A 72 1.706 27.806 72.913 1.00 64.02 H new ATOM 0 HG3 LYS A 72 2.378 27.997 74.520 1.00 64.02 H new ATOM 0 HD2 LYS A 72 3.071 25.843 74.123 1.00 44.43 H new ATOM 0 HD3 LYS A 72 1.500 25.482 74.809 1.00 44.43 H new ATOM 0 HE2 LYS A 72 0.884 24.468 72.898 1.00 73.13 H new ATOM 0 HE3 LYS A 72 1.085 25.973 72.024 1.00 73.13 H new ATOM 0 HZ1 LYS A 72 2.453 24.226 71.088 1.00 63.13 H new ATOM 0 HZ2 LYS A 72 3.437 25.454 71.726 1.00 63.13 H new ATOM 0 HZ3 LYS A 72 3.242 23.996 72.573 1.00 63.13 H new ATOM 1149 N GLN A 73 -2.751 28.621 74.386 1.00 64.13 N ATOM 1150 CA GLN A 73 -4.037 28.788 75.049 1.00 13.03 C ATOM 1151 C GLN A 73 -5.111 27.938 74.378 1.00 22.32 C ATOM 1152 O GLN A 73 -5.704 27.059 75.005 1.00 62.21 O ATOM 1153 CB GLN A 73 -4.454 30.260 75.037 1.00 14.32 C ATOM 1154 CG GLN A 73 -3.864 31.069 76.181 1.00 31.42 C ATOM 1155 CD GLN A 73 -4.648 30.915 77.469 1.00 14.32 C ATOM 1156 OE1 GLN A 73 -5.655 31.591 77.682 1.00 35.05 O ATOM 1157 NE2 GLN A 73 -4.188 30.023 78.339 1.00 11.22 N ATOM 0 H GLN A 73 -2.314 29.493 74.087 1.00 64.13 H new ATOM 0 HA GLN A 73 -3.930 28.456 76.082 1.00 13.03 H new ATOM 0 HB2 GLN A 73 -4.149 30.708 74.091 1.00 14.32 H new ATOM 0 HB3 GLN A 73 -5.541 30.321 75.083 1.00 14.32 H new ATOM 0 HG2 GLN A 73 -2.833 30.757 76.348 1.00 31.42 H new ATOM 0 HG3 GLN A 73 -3.837 32.122 75.900 1.00 31.42 H new ATOM 0 HE21 GLN A 73 -3.350 29.484 78.122 1.00 11.22 H new ATOM 0 HE22 GLN A 73 -4.673 29.877 79.224 1.00 11.22 H new ATOM 1166 N HIS A 74 -5.356 28.206 73.099 1.00 4.45 N ATOM 1167 CA HIS A 74 -6.359 27.464 72.342 1.00 5.52 C ATOM 1168 C HIS A 74 -5.765 26.911 71.050 1.00 44.25 C ATOM 1169 O HIS A 74 -5.873 25.720 70.765 1.00 23.50 O ATOM 1170 CB HIS A 74 -7.555 28.361 72.024 1.00 0.22 C ATOM 1171 CG HIS A 74 -8.491 28.542 73.180 1.00 64.11 C ATOM 1172 ND1 HIS A 74 -8.079 28.983 74.420 1.00 40.12 N ATOM 1173 CD2 HIS A 74 -9.825 28.340 73.278 1.00 74.21 C ATOM 1174 CE1 HIS A 74 -9.120 29.044 75.231 1.00 12.11 C ATOM 1175 NE2 HIS A 74 -10.192 28.660 74.563 1.00 22.42 N ATOM 0 H HIS A 74 -4.875 28.930 72.566 1.00 4.45 H new ATOM 0 HA HIS A 74 -6.695 26.627 72.954 1.00 5.52 H new ATOM 0 HB2 HIS A 74 -7.192 29.338 71.705 1.00 0.22 H new ATOM 0 HB3 HIS A 74 -8.105 27.936 71.185 1.00 0.22 H new ATOM 0 HD2 HIS A 74 -10.480 27.992 72.493 1.00 74.21 H new ATOM 0 HE1 HIS A 74 -9.098 29.355 76.265 1.00 12.11 H new ATOM 0 HE2 HIS A 74 -11.139 28.609 74.939 1.00 22.42 H new ATOM 1183 N GLY A 75 -5.137 27.788 70.271 1.00 31.11 N ATOM 1184 CA GLY A 75 -4.536 27.369 69.018 1.00 25.20 C ATOM 1185 C GLY A 75 -5.517 27.409 67.863 1.00 62.34 C ATOM 1186 O GLY A 75 -5.117 27.443 66.698 1.00 14.40 O ATOM 0 H GLY A 75 -5.034 28.780 70.485 1.00 31.11 H new ATOM 0 HA2 GLY A 75 -3.687 28.014 68.792 1.00 25.20 H new ATOM 0 HA3 GLY A 75 -4.147 26.356 69.126 1.00 25.20 H new ATOM 1190 N THR A 76 -6.807 27.403 68.183 1.00 70.31 N ATOM 1191 CA THR A 76 -7.848 27.436 67.164 1.00 64.11 C ATOM 1192 C THR A 76 -8.188 28.869 66.770 1.00 44.14 C ATOM 1193 O THR A 76 -8.162 29.239 65.596 1.00 44.21 O ATOM 1194 CB THR A 76 -9.130 26.731 67.647 1.00 61.44 C ATOM 1195 OG1 THR A 76 -10.209 27.670 67.717 1.00 74.15 O ATOM 1196 CG2 THR A 76 -8.916 26.095 69.011 1.00 54.23 C ATOM 0 H THR A 76 -7.156 27.376 69.141 1.00 70.31 H new ATOM 0 HA THR A 76 -7.456 26.907 66.296 1.00 64.11 H new ATOM 0 HB THR A 76 -9.378 25.946 66.932 1.00 61.44 H new ATOM 0 HG1 THR A 76 -11.020 27.214 68.023 1.00 74.15 H new ATOM 0 HG21 THR A 76 -9.835 25.603 69.331 1.00 54.23 H new ATOM 0 HG22 THR A 76 -8.114 25.360 68.948 1.00 54.23 H new ATOM 0 HG23 THR A 76 -8.646 26.865 69.733 1.00 54.23 H new ATOM 1204 N PRO A 77 -8.512 29.698 67.773 1.00 15.12 N ATOM 1205 CA PRO A 77 -8.862 31.105 67.556 1.00 32.34 C ATOM 1206 C PRO A 77 -7.662 31.941 67.125 1.00 43.43 C ATOM 1207 O PRO A 77 -7.795 32.958 66.444 1.00 30.31 O ATOM 1208 CB PRO A 77 -9.366 31.561 68.927 1.00 51.01 C ATOM 1209 CG PRO A 77 -8.701 30.649 69.898 1.00 51.51 C ATOM 1210 CD PRO A 77 -8.564 29.325 69.197 1.00 71.21 C ATOM 0 HA PRO A 77 -9.593 31.224 66.757 1.00 32.34 H new ATOM 0 HB2 PRO A 77 -9.105 32.602 69.119 1.00 51.01 H new ATOM 0 HB3 PRO A 77 -10.451 31.487 68.994 1.00 51.01 H new ATOM 0 HG2 PRO A 77 -7.726 31.037 70.193 1.00 51.51 H new ATOM 0 HG3 PRO A 77 -9.293 30.549 70.808 1.00 51.51 H new ATOM 0 HD2 PRO A 77 -7.662 28.797 69.508 1.00 71.21 H new ATOM 0 HD3 PRO A 77 -9.407 28.668 69.410 1.00 71.21 H new ATOM 1218 N PRO A 78 -6.460 31.504 67.529 1.00 50.12 N ATOM 1219 CA PRO A 78 -5.211 32.197 67.195 1.00 21.45 C ATOM 1220 C PRO A 78 -4.864 32.083 65.714 1.00 51.11 C ATOM 1221 O PRO A 78 -4.488 31.013 65.235 1.00 43.23 O ATOM 1222 CB PRO A 78 -4.166 31.474 68.047 1.00 43.24 C ATOM 1223 CG PRO A 78 -4.735 30.117 68.276 1.00 41.40 C ATOM 1224 CD PRO A 78 -6.226 30.299 68.343 1.00 75.11 C ATOM 0 HA PRO A 78 -5.273 33.268 67.391 1.00 21.45 H new ATOM 0 HB2 PRO A 78 -3.206 31.419 67.533 1.00 43.24 H new ATOM 0 HB3 PRO A 78 -3.994 31.995 68.989 1.00 43.24 H new ATOM 0 HG2 PRO A 78 -4.461 29.438 67.469 1.00 41.40 H new ATOM 0 HG3 PRO A 78 -4.353 29.684 69.201 1.00 41.40 H new ATOM 0 HD2 PRO A 78 -6.755 29.434 67.942 1.00 75.11 H new ATOM 0 HD3 PRO A 78 -6.569 30.434 69.369 1.00 75.11 H new ATOM 1232 N THR A 79 -4.991 33.193 64.994 1.00 31.24 N ATOM 1233 CA THR A 79 -4.691 33.217 63.568 1.00 32.31 C ATOM 1234 C THR A 79 -4.583 34.648 63.054 1.00 70.31 C ATOM 1235 O THR A 79 -5.181 35.566 63.613 1.00 73.24 O ATOM 1236 CB THR A 79 -5.767 32.472 62.755 1.00 2.10 C ATOM 1237 OG1 THR A 79 -5.958 31.157 63.287 1.00 2.14 O ATOM 1238 CG2 THR A 79 -5.369 32.380 61.290 1.00 34.14 C ATOM 0 H THR A 79 -5.300 34.087 65.375 1.00 31.24 H new ATOM 0 HA THR A 79 -3.733 32.713 63.438 1.00 32.31 H new ATOM 0 HB THR A 79 -6.700 33.031 62.827 1.00 2.10 H new ATOM 0 HG1 THR A 79 -5.122 30.842 63.689 1.00 2.14 H new ATOM 0 HG21 THR A 79 -6.143 31.850 60.735 1.00 34.14 H new ATOM 0 HG22 THR A 79 -5.252 33.384 60.881 1.00 34.14 H new ATOM 0 HG23 THR A 79 -4.426 31.840 61.202 1.00 34.14 H new ATOM 1246 N ALA A 80 -3.816 34.831 61.985 1.00 65.43 N ATOM 1247 CA ALA A 80 -3.630 36.149 61.393 1.00 74.44 C ATOM 1248 C ALA A 80 -4.936 36.939 61.391 1.00 12.34 C ATOM 1249 O ALA A 80 -4.928 38.169 61.421 1.00 32.51 O ATOM 1250 CB ALA A 80 -3.087 36.023 59.977 1.00 4.43 C ATOM 0 H ALA A 80 -3.313 34.081 61.511 1.00 65.43 H new ATOM 0 HA ALA A 80 -2.906 36.692 62.000 1.00 74.44 H new ATOM 0 HB1 ALA A 80 -2.954 37.016 59.549 1.00 4.43 H new ATOM 0 HB2 ALA A 80 -2.128 35.506 60.000 1.00 4.43 H new ATOM 0 HB3 ALA A 80 -3.790 35.456 59.367 1.00 4.43 H new ATOM 1256 N SER A 81 -6.055 36.222 61.356 1.00 73.23 N ATOM 1257 CA SER A 81 -7.368 36.856 61.346 1.00 10.53 C ATOM 1258 C SER A 81 -7.698 37.444 62.714 1.00 54.43 C ATOM 1259 O SER A 81 -8.188 38.569 62.818 1.00 20.43 O ATOM 1260 CB SER A 81 -8.443 35.845 60.941 1.00 42.44 C ATOM 1261 OG SER A 81 -9.686 36.485 60.715 1.00 63.33 O ATOM 0 H SER A 81 -6.078 35.203 61.334 1.00 73.23 H new ATOM 0 HA SER A 81 -7.347 37.666 60.617 1.00 10.53 H new ATOM 0 HB2 SER A 81 -8.131 35.320 60.038 1.00 42.44 H new ATOM 0 HB3 SER A 81 -8.554 35.094 61.724 1.00 42.44 H new ATOM 0 HG SER A 81 -10.355 35.818 60.456 1.00 63.33 H new ATOM 1267 N ASP A 82 -7.424 36.676 63.763 1.00 33.21 N ATOM 1268 CA ASP A 82 -7.690 37.120 65.127 1.00 32.02 C ATOM 1269 C ASP A 82 -6.522 37.938 65.670 1.00 5.05 C ATOM 1270 O ASP A 82 -6.705 39.051 66.161 1.00 12.41 O ATOM 1271 CB ASP A 82 -7.954 35.918 66.035 1.00 14.10 C ATOM 1272 CG ASP A 82 -9.414 35.508 66.043 1.00 40.51 C ATOM 1273 OD1 ASP A 82 -10.277 36.392 66.220 1.00 0.31 O ATOM 1274 OD2 ASP A 82 -9.692 34.302 65.874 1.00 13.10 O ATOM 0 H ASP A 82 -7.018 35.743 63.695 1.00 33.21 H new ATOM 0 HA ASP A 82 -8.577 37.754 65.110 1.00 32.02 H new ATOM 0 HB2 ASP A 82 -7.345 35.076 65.705 1.00 14.10 H new ATOM 0 HB3 ASP A 82 -7.642 36.158 67.051 1.00 14.10 H new ATOM 1279 N VAL A 83 -5.321 37.376 65.578 1.00 43.30 N ATOM 1280 CA VAL A 83 -4.122 38.052 66.060 1.00 33.30 C ATOM 1281 C VAL A 83 -4.119 39.521 65.654 1.00 24.12 C ATOM 1282 O VAL A 83 -3.469 40.352 66.288 1.00 0.54 O ATOM 1283 CB VAL A 83 -2.845 37.379 65.525 1.00 65.24 C ATOM 1284 CG1 VAL A 83 -1.607 38.039 66.112 1.00 74.14 C ATOM 1285 CG2 VAL A 83 -2.859 35.889 65.831 1.00 22.51 C ATOM 0 H VAL A 83 -5.152 36.455 65.174 1.00 43.30 H new ATOM 0 HA VAL A 83 -4.133 37.979 67.148 1.00 33.30 H new ATOM 0 HB VAL A 83 -2.816 37.504 64.443 1.00 65.24 H new ATOM 0 HG11 VAL A 83 -0.714 37.550 65.722 1.00 74.14 H new ATOM 0 HG12 VAL A 83 -1.592 39.094 65.837 1.00 74.14 H new ATOM 0 HG13 VAL A 83 -1.626 37.947 67.198 1.00 74.14 H new ATOM 0 HG21 VAL A 83 -1.949 35.430 65.445 1.00 22.51 H new ATOM 0 HG22 VAL A 83 -2.912 35.740 66.909 1.00 22.51 H new ATOM 0 HG23 VAL A 83 -3.726 35.428 65.358 1.00 22.51 H new ATOM 1295 N VAL A 84 -4.850 39.836 64.589 1.00 2.30 N ATOM 1296 CA VAL A 84 -4.933 41.206 64.097 1.00 31.33 C ATOM 1297 C VAL A 84 -5.452 42.147 65.177 1.00 52.13 C ATOM 1298 O VAL A 84 -4.963 43.267 65.327 1.00 53.31 O ATOM 1299 CB VAL A 84 -5.850 41.304 62.863 1.00 62.41 C ATOM 1300 CG1 VAL A 84 -7.311 41.339 63.284 1.00 3.03 C ATOM 1301 CG2 VAL A 84 -5.497 42.531 62.034 1.00 23.23 C ATOM 0 H VAL A 84 -5.393 39.161 64.051 1.00 2.30 H new ATOM 0 HA VAL A 84 -3.923 41.503 63.815 1.00 31.33 H new ATOM 0 HB VAL A 84 -5.696 40.419 62.246 1.00 62.41 H new ATOM 0 HG11 VAL A 84 -7.943 41.408 62.399 1.00 3.03 H new ATOM 0 HG12 VAL A 84 -7.553 40.429 63.833 1.00 3.03 H new ATOM 0 HG13 VAL A 84 -7.485 42.205 63.923 1.00 3.03 H new ATOM 0 HG21 VAL A 84 -6.154 42.585 61.166 1.00 23.23 H new ATOM 0 HG22 VAL A 84 -5.622 43.428 62.640 1.00 23.23 H new ATOM 0 HG23 VAL A 84 -4.462 42.460 61.701 1.00 23.23 H new ATOM 1311 N GLY A 85 -6.445 41.686 65.931 1.00 33.31 N ATOM 1312 CA GLY A 85 -7.015 42.499 66.989 1.00 54.21 C ATOM 1313 C GLY A 85 -7.010 41.793 68.330 1.00 41.42 C ATOM 1314 O GLY A 85 -7.418 42.363 69.341 1.00 53.32 O ATOM 0 H GLY A 85 -6.865 40.762 65.828 1.00 33.31 H new ATOM 0 HA2 GLY A 85 -6.454 43.430 67.070 1.00 54.21 H new ATOM 0 HA3 GLY A 85 -8.039 42.766 66.726 1.00 54.21 H new ATOM 1318 N MET A 86 -6.546 40.547 68.338 1.00 13.45 N ATOM 1319 CA MET A 86 -6.490 39.761 69.566 1.00 62.34 C ATOM 1320 C MET A 86 -5.604 40.441 70.606 1.00 14.23 C ATOM 1321 O MET A 86 -5.963 40.563 71.777 1.00 43.21 O ATOM 1322 CB MET A 86 -5.966 38.355 69.273 1.00 24.14 C ATOM 1323 CG MET A 86 -6.028 37.420 70.471 1.00 71.33 C ATOM 1324 SD MET A 86 -6.750 35.819 70.066 1.00 60.21 S ATOM 1325 CE MET A 86 -5.282 34.881 69.652 1.00 42.52 C ATOM 0 H MET A 86 -6.204 40.061 67.509 1.00 13.45 H new ATOM 0 HA MET A 86 -7.501 39.687 69.968 1.00 62.34 H new ATOM 0 HB2 MET A 86 -6.544 37.924 68.456 1.00 24.14 H new ATOM 0 HB3 MET A 86 -4.934 38.425 68.931 1.00 24.14 H new ATOM 0 HG2 MET A 86 -5.022 37.272 70.864 1.00 71.33 H new ATOM 0 HG3 MET A 86 -6.613 37.888 71.262 1.00 71.33 H new ATOM 0 HE1 MET A 86 -5.503 33.815 69.708 1.00 42.52 H new ATOM 0 HE2 MET A 86 -4.963 35.132 68.641 1.00 42.52 H new ATOM 0 HE3 MET A 86 -4.485 35.124 70.355 1.00 42.52 H new ATOM 1335 N PRO A 87 -4.419 40.892 70.171 1.00 63.53 N ATOM 1336 CA PRO A 87 -3.457 41.567 71.048 1.00 32.21 C ATOM 1337 C PRO A 87 -3.937 42.949 71.479 1.00 12.20 C ATOM 1338 O PRO A 87 -4.994 43.410 71.051 1.00 12.31 O ATOM 1339 CB PRO A 87 -2.203 41.683 70.178 1.00 32.01 C ATOM 1340 CG PRO A 87 -2.712 41.668 68.778 1.00 43.23 C ATOM 1341 CD PRO A 87 -3.926 40.781 68.787 1.00 13.42 C ATOM 0 HA PRO A 87 -3.298 41.019 71.977 1.00 32.21 H new ATOM 0 HB2 PRO A 87 -1.657 42.602 70.391 1.00 32.01 H new ATOM 0 HB3 PRO A 87 -1.517 40.855 70.359 1.00 32.01 H new ATOM 0 HG2 PRO A 87 -2.967 42.674 68.445 1.00 43.23 H new ATOM 0 HG3 PRO A 87 -1.956 41.287 68.092 1.00 43.23 H new ATOM 0 HD2 PRO A 87 -4.673 41.114 68.066 1.00 13.42 H new ATOM 0 HD3 PRO A 87 -3.674 39.752 68.532 1.00 13.42 H new ATOM 1349 N GLN A 88 -3.152 43.604 72.328 1.00 42.34 N ATOM 1350 CA GLN A 88 -3.498 44.934 72.817 1.00 2.31 C ATOM 1351 C GLN A 88 -3.073 46.008 71.821 1.00 0.42 C ATOM 1352 O GLN A 88 -3.738 47.034 71.680 1.00 41.20 O ATOM 1353 CB GLN A 88 -2.837 45.190 74.173 1.00 2.42 C ATOM 1354 CG GLN A 88 -1.323 45.058 74.146 1.00 43.33 C ATOM 1355 CD GLN A 88 -0.805 44.057 75.161 1.00 74.15 C ATOM 1356 OE1 GLN A 88 -1.381 42.984 75.340 1.00 53.02 O ATOM 1357 NE2 GLN A 88 0.287 44.405 75.832 1.00 73.30 N ATOM 0 H GLN A 88 -2.273 43.236 72.691 1.00 42.34 H new ATOM 0 HA GLN A 88 -4.581 44.980 72.934 1.00 2.31 H new ATOM 0 HB2 GLN A 88 -3.100 46.192 74.513 1.00 2.42 H new ATOM 0 HB3 GLN A 88 -3.242 44.489 74.903 1.00 2.42 H new ATOM 0 HG2 GLN A 88 -1.007 44.754 73.148 1.00 43.33 H new ATOM 0 HG3 GLN A 88 -0.874 46.032 74.340 1.00 43.33 H new ATOM 0 HE21 GLN A 88 0.732 45.305 75.651 1.00 73.30 H new ATOM 0 HE22 GLN A 88 0.681 43.772 76.528 1.00 73.30 H new ATOM 1366 N TRP A 89 -1.964 45.763 71.133 1.00 54.13 N ATOM 1367 CA TRP A 89 -1.451 46.710 70.149 1.00 71.12 C ATOM 1368 C TRP A 89 -2.583 47.284 69.305 1.00 61.20 C ATOM 1369 O TRP A 89 -2.635 48.489 69.058 1.00 74.00 O ATOM 1370 CB TRP A 89 -0.418 46.032 69.248 1.00 31.03 C ATOM 1371 CG TRP A 89 -1.031 45.278 68.106 1.00 63.33 C ATOM 1372 CD1 TRP A 89 -1.080 43.922 67.951 1.00 44.14 C ATOM 1373 CD2 TRP A 89 -1.679 45.839 66.960 1.00 63.22 C ATOM 1374 NE1 TRP A 89 -1.719 43.606 66.777 1.00 72.42 N ATOM 1375 CE2 TRP A 89 -2.098 44.763 66.150 1.00 74.14 C ATOM 1376 CE3 TRP A 89 -1.949 47.143 66.538 1.00 75.24 C ATOM 1377 CZ2 TRP A 89 -2.769 44.957 64.946 1.00 2.40 C ATOM 1378 CZ3 TRP A 89 -2.615 47.332 65.342 1.00 72.41 C ATOM 1379 CH2 TRP A 89 -3.020 46.244 64.558 1.00 61.31 C ATOM 0 H TRP A 89 -1.403 44.918 71.238 1.00 54.13 H new ATOM 0 HA TRP A 89 -0.972 47.529 70.685 1.00 71.12 H new ATOM 0 HB2 TRP A 89 0.261 46.788 68.853 1.00 31.03 H new ATOM 0 HB3 TRP A 89 0.182 45.347 69.847 1.00 31.03 H new ATOM 0 HD1 TRP A 89 -0.676 43.204 68.649 1.00 44.14 H new ATOM 0 HE1 TRP A 89 -1.885 42.662 66.428 1.00 72.42 H new ATOM 0 HE3 TRP A 89 -1.643 47.989 67.136 1.00 75.24 H new ATOM 0 HZ2 TRP A 89 -3.081 44.120 64.339 1.00 2.40 H new ATOM 0 HZ3 TRP A 89 -2.827 48.336 65.006 1.00 72.41 H new ATOM 0 HH2 TRP A 89 -3.541 46.425 63.629 1.00 61.31 H new ATOM 1390 N GLN A 90 -3.486 46.414 68.863 1.00 54.14 N ATOM 1391 CA GLN A 90 -4.616 46.837 68.045 1.00 15.44 C ATOM 1392 C GLN A 90 -5.313 48.045 68.662 1.00 74.35 C ATOM 1393 O GLN A 90 -5.626 49.013 67.969 1.00 45.12 O ATOM 1394 CB GLN A 90 -5.612 45.687 67.883 1.00 61.52 C ATOM 1395 CG GLN A 90 -6.927 46.108 67.244 1.00 3.23 C ATOM 1396 CD GLN A 90 -6.729 46.883 65.956 1.00 51.52 C ATOM 1397 OE1 GLN A 90 -5.663 46.828 65.343 1.00 21.11 O ATOM 1398 NE2 GLN A 90 -7.758 47.613 65.541 1.00 2.10 N ATOM 0 H GLN A 90 -3.457 45.413 69.058 1.00 54.14 H new ATOM 0 HA GLN A 90 -4.236 47.122 67.064 1.00 15.44 H new ATOM 0 HB2 GLN A 90 -5.156 44.905 67.276 1.00 61.52 H new ATOM 0 HB3 GLN A 90 -5.816 45.253 68.862 1.00 61.52 H new ATOM 0 HG2 GLN A 90 -7.528 45.222 67.041 1.00 3.23 H new ATOM 0 HG3 GLN A 90 -7.489 46.720 67.949 1.00 3.23 H new ATOM 0 HE21 GLN A 90 -8.623 47.629 66.081 1.00 2.10 H new ATOM 0 HE22 GLN A 90 -7.683 48.158 64.682 1.00 2.10 H new ATOM 1407 N GLU A 91 -5.553 47.982 69.968 1.00 1.44 N ATOM 1408 CA GLU A 91 -6.214 49.071 70.677 1.00 32.14 C ATOM 1409 C GLU A 91 -5.214 50.159 71.056 1.00 34.24 C ATOM 1410 O GLU A 91 -5.413 51.335 70.750 1.00 71.40 O ATOM 1411 CB GLU A 91 -6.911 48.544 71.933 1.00 21.33 C ATOM 1412 CG GLU A 91 -8.416 48.759 71.930 1.00 23.51 C ATOM 1413 CD GLU A 91 -9.072 48.314 73.222 1.00 52.43 C ATOM 1414 OE1 GLU A 91 -8.394 48.347 74.272 1.00 33.24 O ATOM 1415 OE2 GLU A 91 -10.260 47.934 73.185 1.00 0.44 O ATOM 0 H GLU A 91 -5.299 47.188 70.556 1.00 1.44 H new ATOM 0 HA GLU A 91 -6.961 49.503 70.011 1.00 32.14 H new ATOM 0 HB2 GLU A 91 -6.705 47.478 72.033 1.00 21.33 H new ATOM 0 HB3 GLU A 91 -6.484 49.034 72.808 1.00 21.33 H new ATOM 0 HG2 GLU A 91 -8.628 49.815 71.765 1.00 23.51 H new ATOM 0 HG3 GLU A 91 -8.856 48.211 71.096 1.00 23.51 H new ATOM 1422 N TYR A 92 -4.139 49.758 71.725 1.00 71.03 N ATOM 1423 CA TYR A 92 -3.108 50.698 72.150 1.00 75.44 C ATOM 1424 C TYR A 92 -2.781 51.687 71.035 1.00 42.23 C ATOM 1425 O TYR A 92 -3.002 52.891 71.170 1.00 1.02 O ATOM 1426 CB TYR A 92 -1.845 49.947 72.569 1.00 44.34 C ATOM 1427 CG TYR A 92 -1.476 50.145 74.022 1.00 31.43 C ATOM 1428 CD1 TYR A 92 -0.650 51.192 74.413 1.00 3.51 C ATOM 1429 CD2 TYR A 92 -1.954 49.285 75.004 1.00 65.01 C ATOM 1430 CE1 TYR A 92 -0.310 51.376 75.740 1.00 63.31 C ATOM 1431 CE2 TYR A 92 -1.620 49.463 76.332 1.00 52.52 C ATOM 1432 CZ TYR A 92 -0.798 50.509 76.696 1.00 63.32 C ATOM 1433 OH TYR A 92 -0.463 50.688 78.018 1.00 64.43 O ATOM 0 H TYR A 92 -3.959 48.788 71.985 1.00 71.03 H new ATOM 0 HA TYR A 92 -3.490 51.256 73.005 1.00 75.44 H new ATOM 0 HB2 TYR A 92 -1.986 48.883 72.381 1.00 44.34 H new ATOM 0 HB3 TYR A 92 -1.014 50.274 71.944 1.00 44.34 H new ATOM 0 HD1 TYR A 92 -0.267 51.873 73.667 1.00 3.51 H new ATOM 0 HD2 TYR A 92 -2.597 48.464 74.724 1.00 65.01 H new ATOM 0 HE1 TYR A 92 0.334 52.194 76.027 1.00 63.31 H new ATOM 0 HE2 TYR A 92 -2.001 48.786 77.082 1.00 52.52 H new ATOM 0 HH TYR A 92 -0.890 49.993 78.561 1.00 64.43 H new ATOM 1443 N THR A 93 -2.250 51.170 69.931 1.00 20.00 N ATOM 1444 CA THR A 93 -1.890 52.004 68.792 1.00 62.12 C ATOM 1445 C THR A 93 -3.062 52.877 68.358 1.00 25.10 C ATOM 1446 O THR A 93 -2.871 53.990 67.869 1.00 54.53 O ATOM 1447 CB THR A 93 -1.427 51.152 67.595 1.00 63.31 C ATOM 1448 OG1 THR A 93 -2.526 50.391 67.082 1.00 51.00 O ATOM 1449 CG2 THR A 93 -0.300 50.215 68.002 1.00 23.13 C ATOM 0 H THR A 93 -2.060 50.176 69.802 1.00 20.00 H new ATOM 0 HA THR A 93 -1.066 52.641 69.114 1.00 62.12 H new ATOM 0 HB THR A 93 -1.057 51.823 66.820 1.00 63.31 H new ATOM 0 HG1 THR A 93 -2.713 49.640 67.683 1.00 51.00 H new ATOM 0 HG21 THR A 93 0.010 49.624 67.141 1.00 23.13 H new ATOM 0 HG22 THR A 93 0.546 50.799 68.365 1.00 23.13 H new ATOM 0 HG23 THR A 93 -0.647 49.550 68.793 1.00 23.13 H new ATOM 1457 N ALA A 94 -4.274 52.363 68.538 1.00 73.43 N ATOM 1458 CA ALA A 94 -5.477 53.097 68.166 1.00 31.41 C ATOM 1459 C ALA A 94 -5.703 54.287 69.093 1.00 50.25 C ATOM 1460 O ALA A 94 -6.392 55.242 68.737 1.00 23.14 O ATOM 1461 CB ALA A 94 -6.686 52.173 68.185 1.00 54.25 C ATOM 0 H ALA A 94 -4.449 51.442 68.939 1.00 73.43 H new ATOM 0 HA ALA A 94 -5.341 53.479 67.154 1.00 31.41 H new ATOM 0 HB1 ALA A 94 -7.577 52.734 67.905 1.00 54.25 H new ATOM 0 HB2 ALA A 94 -6.533 51.359 67.477 1.00 54.25 H new ATOM 0 HB3 ALA A 94 -6.815 51.763 69.187 1.00 54.25 H new ATOM 1467 N MET A 95 -5.118 54.222 70.285 1.00 63.11 N ATOM 1468 CA MET A 95 -5.254 55.295 71.263 1.00 31.33 C ATOM 1469 C MET A 95 -4.235 56.400 71.005 1.00 10.34 C ATOM 1470 O MET A 95 -4.547 57.586 71.123 1.00 3.33 O ATOM 1471 CB MET A 95 -5.081 54.746 72.681 1.00 34.21 C ATOM 1472 CG MET A 95 -6.338 54.850 73.530 1.00 41.30 C ATOM 1473 SD MET A 95 -6.195 53.965 75.094 1.00 41.51 S ATOM 1474 CE MET A 95 -7.792 54.310 75.827 1.00 71.41 C ATOM 0 H MET A 95 -4.545 53.438 70.597 1.00 63.11 H new ATOM 0 HA MET A 95 -6.254 55.718 71.164 1.00 31.33 H new ATOM 0 HB2 MET A 95 -4.777 53.701 72.623 1.00 34.21 H new ATOM 0 HB3 MET A 95 -4.273 55.286 73.175 1.00 34.21 H new ATOM 0 HG2 MET A 95 -6.551 55.900 73.729 1.00 41.30 H new ATOM 0 HG3 MET A 95 -7.184 54.454 72.969 1.00 41.30 H new ATOM 0 HE1 MET A 95 -7.856 53.828 76.803 1.00 71.41 H new ATOM 0 HE2 MET A 95 -7.913 55.387 75.945 1.00 71.41 H new ATOM 0 HE3 MET A 95 -8.580 53.925 75.180 1.00 71.41 H new ATOM 1484 N LEU A 96 -3.018 56.004 70.652 1.00 44.11 N ATOM 1485 CA LEU A 96 -1.952 56.962 70.377 1.00 44.43 C ATOM 1486 C LEU A 96 -2.092 57.546 68.975 1.00 32.14 C ATOM 1487 O LEU A 96 -2.266 58.753 68.810 1.00 72.23 O ATOM 1488 CB LEU A 96 -0.585 56.291 70.528 1.00 23.44 C ATOM 1489 CG LEU A 96 -0.545 54.785 70.268 1.00 5.24 C ATOM 1490 CD1 LEU A 96 0.756 54.396 69.582 1.00 2.24 C ATOM 1491 CD2 LEU A 96 -0.715 54.014 71.569 1.00 31.53 C ATOM 0 H LEU A 96 -2.744 55.027 70.549 1.00 44.11 H new ATOM 0 HA LEU A 96 -2.033 57.775 71.099 1.00 44.43 H new ATOM 0 HB2 LEU A 96 0.113 56.776 69.846 1.00 23.44 H new ATOM 0 HB3 LEU A 96 -0.222 56.475 71.539 1.00 23.44 H new ATOM 0 HG LEU A 96 -1.372 54.528 69.606 1.00 5.24 H new ATOM 0 HD11 LEU A 96 0.767 53.321 69.405 1.00 2.24 H new ATOM 0 HD12 LEU A 96 0.837 54.921 68.630 1.00 2.24 H new ATOM 0 HD13 LEU A 96 1.598 54.667 70.219 1.00 2.24 H new ATOM 0 HD21 LEU A 96 -0.684 52.944 71.364 1.00 31.53 H new ATOM 0 HD22 LEU A 96 0.091 54.276 72.255 1.00 31.53 H new ATOM 0 HD23 LEU A 96 -1.674 54.269 72.021 1.00 31.53 H new ATOM 1503 N ARG A 97 -2.019 56.681 67.969 1.00 51.41 N ATOM 1504 CA ARG A 97 -2.140 57.111 66.582 1.00 25.12 C ATOM 1505 C ARG A 97 -3.389 57.964 66.383 1.00 12.02 C ATOM 1506 O ARG A 97 -3.376 58.934 65.627 1.00 21.42 O ATOM 1507 CB ARG A 97 -2.185 55.897 65.651 1.00 42.31 C ATOM 1508 CG ARG A 97 -3.551 55.233 65.581 1.00 42.21 C ATOM 1509 CD ARG A 97 -3.438 53.766 65.197 1.00 62.32 C ATOM 1510 NE ARG A 97 -3.178 53.592 63.771 1.00 63.22 N ATOM 1511 CZ ARG A 97 -4.111 53.714 62.834 1.00 24.51 C ATOM 1512 NH1 ARG A 97 -5.359 54.010 63.171 1.00 25.22 N ATOM 1513 NH2 ARG A 97 -3.798 53.541 61.556 1.00 43.23 N ATOM 0 H ARG A 97 -1.877 55.678 68.089 1.00 51.41 H new ATOM 0 HA ARG A 97 -1.266 57.715 66.339 1.00 25.12 H new ATOM 0 HB2 ARG A 97 -1.889 56.207 64.649 1.00 42.31 H new ATOM 0 HB3 ARG A 97 -1.451 55.165 65.987 1.00 42.31 H new ATOM 0 HG2 ARG A 97 -4.049 55.320 66.547 1.00 42.21 H new ATOM 0 HG3 ARG A 97 -4.173 55.754 64.853 1.00 42.21 H new ATOM 0 HD2 ARG A 97 -2.636 53.302 65.771 1.00 62.32 H new ATOM 0 HD3 ARG A 97 -4.360 53.250 65.463 1.00 62.32 H new ATOM 0 HE ARG A 97 -2.228 53.364 63.478 1.00 63.22 H new ATOM 0 HH11 ARG A 97 -5.604 54.145 64.152 1.00 25.22 H new ATOM 0 HH12 ARG A 97 -6.074 54.103 62.449 1.00 25.22 H new ATOM 0 HH21 ARG A 97 -2.839 53.314 61.292 1.00 43.23 H new ATOM 0 HH22 ARG A 97 -4.516 53.635 60.838 1.00 43.23 H new ATOM 1527 N GLU A 98 -4.468 57.593 67.067 1.00 4.11 N ATOM 1528 CA GLU A 98 -5.725 58.323 66.964 1.00 33.03 C ATOM 1529 C GLU A 98 -5.720 59.547 67.876 1.00 51.12 C ATOM 1530 O GLU A 98 -5.927 60.673 67.423 1.00 22.44 O ATOM 1531 CB GLU A 98 -6.901 57.412 67.323 1.00 72.32 C ATOM 1532 CG GLU A 98 -8.247 57.946 66.864 1.00 31.41 C ATOM 1533 CD GLU A 98 -9.213 56.842 66.480 1.00 4.03 C ATOM 1534 OE1 GLU A 98 -8.835 55.983 65.655 1.00 14.44 O ATOM 1535 OE2 GLU A 98 -10.346 56.837 67.004 1.00 32.24 O ATOM 0 H GLU A 98 -4.496 56.792 67.698 1.00 4.11 H new ATOM 0 HA GLU A 98 -5.836 58.659 65.933 1.00 33.03 H new ATOM 0 HB2 GLU A 98 -6.738 56.430 66.878 1.00 72.32 H new ATOM 0 HB3 GLU A 98 -6.925 57.272 68.404 1.00 72.32 H new ATOM 0 HG2 GLU A 98 -8.686 58.547 67.661 1.00 31.41 H new ATOM 0 HG3 GLU A 98 -8.099 58.607 66.010 1.00 31.41 H new ATOM 1542 N ARG A 99 -5.482 59.318 69.163 1.00 44.43 N ATOM 1543 CA ARG A 99 -5.450 60.400 70.139 1.00 51.11 C ATOM 1544 C ARG A 99 -4.075 61.059 70.177 1.00 45.10 C ATOM 1545 O ARG A 99 -3.700 61.681 71.171 1.00 50.44 O ATOM 1546 CB ARG A 99 -5.814 59.874 71.528 1.00 4.50 C ATOM 1547 CG ARG A 99 -6.776 60.772 72.289 1.00 44.45 C ATOM 1548 CD ARG A 99 -8.093 60.930 71.548 1.00 35.22 C ATOM 1549 NE ARG A 99 -9.125 61.532 72.389 1.00 21.50 N ATOM 1550 CZ ARG A 99 -10.212 62.124 71.907 1.00 73.52 C ATOM 1551 NH1 ARG A 99 -10.409 62.194 70.598 1.00 44.04 N ATOM 1552 NH2 ARG A 99 -11.105 62.649 72.736 1.00 74.12 N ATOM 0 H ARG A 99 -5.308 58.392 69.554 1.00 44.43 H new ATOM 0 HA ARG A 99 -6.183 61.148 69.838 1.00 51.11 H new ATOM 0 HB2 ARG A 99 -6.258 58.884 71.427 1.00 4.50 H new ATOM 0 HB3 ARG A 99 -4.902 59.756 72.113 1.00 4.50 H new ATOM 0 HG2 ARG A 99 -6.962 60.353 73.278 1.00 44.45 H new ATOM 0 HG3 ARG A 99 -6.321 61.751 72.438 1.00 44.45 H new ATOM 0 HD2 ARG A 99 -7.940 61.548 70.664 1.00 35.22 H new ATOM 0 HD3 ARG A 99 -8.432 59.954 71.200 1.00 35.22 H new ATOM 0 HE ARG A 99 -9.004 61.496 73.401 1.00 21.50 H new ATOM 0 HH11 ARG A 99 -9.725 61.792 69.957 1.00 44.04 H new ATOM 0 HH12 ARG A 99 -11.245 62.649 70.232 1.00 44.04 H new ATOM 0 HH21 ARG A 99 -10.957 62.598 73.744 1.00 74.12 H new ATOM 0 HH22 ARG A 99 -11.940 63.104 72.365 1.00 74.12 H new ATOM 1566 N PHE A 100 -3.326 60.918 69.087 1.00 53.53 N ATOM 1567 CA PHE A 100 -1.992 61.498 68.996 1.00 43.44 C ATOM 1568 C PHE A 100 -2.037 63.007 69.217 1.00 35.32 C ATOM 1569 O PHE A 100 -1.095 63.597 69.745 1.00 22.44 O ATOM 1570 CB PHE A 100 -1.370 61.189 67.633 1.00 10.25 C ATOM 1571 CG PHE A 100 -1.666 62.229 66.590 1.00 52.22 C ATOM 1572 CD1 PHE A 100 -2.870 62.220 65.906 1.00 61.00 C ATOM 1573 CD2 PHE A 100 -0.739 63.215 66.294 1.00 44.15 C ATOM 1574 CE1 PHE A 100 -3.145 63.175 64.946 1.00 33.31 C ATOM 1575 CE2 PHE A 100 -1.009 64.173 65.336 1.00 62.11 C ATOM 1576 CZ PHE A 100 -2.213 64.152 64.660 1.00 73.05 C ATOM 0 H PHE A 100 -3.621 60.407 68.255 1.00 53.53 H new ATOM 0 HA PHE A 100 -1.377 61.053 69.778 1.00 43.44 H new ATOM 0 HB2 PHE A 100 -0.290 61.098 67.748 1.00 10.25 H new ATOM 0 HB3 PHE A 100 -1.736 60.223 67.286 1.00 10.25 H new ATOM 0 HD1 PHE A 100 -3.603 61.458 66.125 1.00 61.00 H new ATOM 0 HD2 PHE A 100 0.205 63.235 66.818 1.00 44.15 H new ATOM 0 HE1 PHE A 100 -4.088 63.157 64.420 1.00 33.31 H new ATOM 0 HE2 PHE A 100 -0.279 64.938 65.116 1.00 62.11 H new ATOM 0 HZ PHE A 100 -2.425 64.899 63.909 1.00 73.05 H new ATOM 1586 N ALA A 101 -3.141 63.625 68.808 1.00 60.04 N ATOM 1587 CA ALA A 101 -3.312 65.064 68.962 1.00 74.14 C ATOM 1588 C ALA A 101 -2.908 65.519 70.360 1.00 41.40 C ATOM 1589 O ALA A 101 -2.604 66.690 70.579 1.00 64.13 O ATOM 1590 CB ALA A 101 -4.752 65.459 68.672 1.00 13.20 C ATOM 0 H ALA A 101 -3.930 63.151 68.368 1.00 60.04 H new ATOM 0 HA ALA A 101 -2.659 65.561 68.244 1.00 74.14 H new ATOM 0 HB1 ALA A 101 -4.865 66.537 68.791 1.00 13.20 H new ATOM 0 HB2 ALA A 101 -5.008 65.178 67.650 1.00 13.20 H new ATOM 0 HB3 ALA A 101 -5.417 64.946 69.367 1.00 13.20 H new ATOM 1596 N GLY A 102 -2.907 64.583 71.305 1.00 14.04 N ATOM 1597 CA GLY A 102 -2.541 64.908 72.671 1.00 41.11 C ATOM 1598 C GLY A 102 -1.957 63.722 73.412 1.00 21.21 C ATOM 1599 O GLY A 102 -2.505 63.281 74.424 1.00 62.43 O ATOM 0 H GLY A 102 -3.153 63.606 71.148 1.00 14.04 H new ATOM 0 HA2 GLY A 102 -1.816 65.722 72.666 1.00 41.11 H new ATOM 0 HA3 GLY A 102 -3.421 65.268 73.204 1.00 41.11 H new ATOM 1603 N LEU A 103 -0.844 63.201 72.908 1.00 44.31 N ATOM 1604 CA LEU A 103 -0.185 62.057 73.529 1.00 2.13 C ATOM 1605 C LEU A 103 0.177 62.357 74.980 1.00 31.13 C ATOM 1606 O LEU A 103 1.139 63.074 75.254 1.00 51.44 O ATOM 1607 CB LEU A 103 1.074 61.681 72.745 1.00 23.13 C ATOM 1608 CG LEU A 103 0.860 61.271 71.287 1.00 34.34 C ATOM 1609 CD1 LEU A 103 2.128 61.492 70.478 1.00 71.33 C ATOM 1610 CD2 LEU A 103 0.415 59.818 71.201 1.00 50.31 C ATOM 0 H LEU A 103 -0.379 63.552 72.071 1.00 44.31 H new ATOM 0 HA LEU A 103 -0.880 61.217 73.514 1.00 2.13 H new ATOM 0 HB2 LEU A 103 1.758 62.530 72.766 1.00 23.13 H new ATOM 0 HB3 LEU A 103 1.569 60.860 73.263 1.00 23.13 H new ATOM 0 HG LEU A 103 0.073 61.896 70.866 1.00 34.34 H new ATOM 0 HD11 LEU A 103 1.956 61.195 69.444 1.00 71.33 H new ATOM 0 HD12 LEU A 103 2.402 62.546 70.512 1.00 71.33 H new ATOM 0 HD13 LEU A 103 2.936 60.894 70.898 1.00 71.33 H new ATOM 0 HD21 LEU A 103 0.268 59.544 70.156 1.00 50.31 H new ATOM 0 HD22 LEU A 103 1.179 59.177 71.640 1.00 50.31 H new ATOM 0 HD23 LEU A 103 -0.521 59.691 71.745 1.00 50.31 H new