USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=15 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 Set 1.1: A 65 HIS : no HE2:sc= -0.572 X(o=-0.6,f=-0.63) USER MOD Set 1.2: A 69 GLN : amide:sc= -0.024 X(o=-0.6,f=-0.44) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -142:sc= -2.66 (180deg=-5.32!) USER MOD Single : A 38 GLN : amide:sc= -2.01 K(o=-2,f=-2.8!) USER MOD Single : A 39 ASN : amide:sc= -0.345 K(o=-0.34,f=-1.8!) USER MOD Single : A 44 HIS : no HE2:sc= -0.191 K(o=-0.19,f=-1.3) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -117:sc= 1.18 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0.056) USER MOD Single : A 58 SER OG : rot -60:sc= 0.465 USER MOD Single : A 59 THR OG1 : rot -115:sc= -0.244 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 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.298 K(o=-0.3,f=1.1) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 151:sc= -0.858 (180deg=-3.01!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 90 GLN : amide:sc= -0.703 K(o=-0.7,f=-2.5) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 128:sc= 0.113 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 248 N LYS A 17 16.390 46.992 67.834 1.00 53.33 N ATOM 249 CA LYS A 17 16.377 46.074 66.702 1.00 53.40 C ATOM 250 C LYS A 17 14.947 45.734 66.293 1.00 41.22 C ATOM 251 O LYS A 17 14.493 46.119 65.215 1.00 44.41 O ATOM 252 CB LYS A 17 17.136 44.792 67.051 1.00 41.52 C ATOM 253 CG LYS A 17 18.504 45.042 67.664 1.00 4.03 C ATOM 254 CD LYS A 17 18.784 44.088 68.813 1.00 61.33 C ATOM 255 CE LYS A 17 20.194 43.523 68.738 1.00 72.24 C ATOM 256 NZ LYS A 17 20.194 42.078 68.381 1.00 63.51 N ATOM 0 HA LYS A 17 16.870 46.565 65.863 1.00 53.40 H new ATOM 0 HB2 LYS A 17 16.538 44.203 67.746 1.00 41.52 H new ATOM 0 HB3 LYS A 17 17.256 44.193 66.148 1.00 41.52 H new ATOM 0 HG2 LYS A 17 19.272 44.927 66.900 1.00 4.03 H new ATOM 0 HG3 LYS A 17 18.561 46.070 68.022 1.00 4.03 H new ATOM 0 HD2 LYS A 17 18.650 44.609 69.761 1.00 61.33 H new ATOM 0 HD3 LYS A 17 18.062 43.271 68.793 1.00 61.33 H new ATOM 0 HE2 LYS A 17 20.769 44.080 67.998 1.00 72.24 H new ATOM 0 HE3 LYS A 17 20.692 43.660 69.698 1.00 72.24 H new ATOM 0 HZ1 LYS A 17 21.173 41.731 68.340 1.00 63.51 H new ATOM 0 HZ2 LYS A 17 19.667 41.543 69.100 1.00 63.51 H new ATOM 0 HZ3 LYS A 17 19.742 41.950 67.453 1.00 63.51 H new ATOM 270 N TRP A 18 14.244 45.015 67.160 1.00 43.10 N ATOM 271 CA TRP A 18 12.865 44.627 66.888 1.00 11.24 C ATOM 272 C TRP A 18 12.043 44.600 68.172 1.00 11.33 C ATOM 273 O TRP A 18 12.574 44.803 69.265 1.00 60.43 O ATOM 274 CB TRP A 18 12.824 43.254 66.213 1.00 33.44 C ATOM 275 CG TRP A 18 14.006 42.991 65.329 1.00 34.35 C ATOM 276 CD1 TRP A 18 15.277 42.694 65.729 1.00 65.31 C ATOM 277 CD2 TRP A 18 14.025 43.004 63.898 1.00 31.34 C ATOM 278 NE1 TRP A 18 16.085 42.521 64.630 1.00 40.34 N ATOM 279 CE2 TRP A 18 15.342 42.705 63.496 1.00 32.44 C ATOM 280 CE3 TRP A 18 13.057 43.236 62.916 1.00 54.01 C ATOM 281 CZ2 TRP A 18 15.712 42.635 62.156 1.00 22.02 C ATOM 282 CZ3 TRP A 18 13.427 43.166 61.587 1.00 71.51 C ATOM 283 CH2 TRP A 18 14.745 42.867 61.216 1.00 52.42 C ATOM 0 H TRP A 18 14.605 44.689 68.056 1.00 43.10 H new ATOM 0 HA TRP A 18 12.431 45.368 66.217 1.00 11.24 H new ATOM 0 HB2 TRP A 18 12.774 42.481 66.980 1.00 33.44 H new ATOM 0 HB3 TRP A 18 11.912 43.175 65.621 1.00 33.44 H new ATOM 0 HD1 TRP A 18 15.600 42.608 66.756 1.00 65.31 H new ATOM 0 HE1 TRP A 18 17.079 42.292 64.656 1.00 40.34 H new ATOM 0 HE3 TRP A 18 12.038 43.466 63.192 1.00 54.01 H new ATOM 0 HZ2 TRP A 18 16.727 42.405 61.868 1.00 22.02 H new ATOM 0 HZ3 TRP A 18 12.688 43.345 60.820 1.00 71.51 H new ATOM 0 HH2 TRP A 18 15.002 42.819 60.168 1.00 52.42 H new ATOM 294 N LEU A 19 10.747 44.346 68.035 1.00 23.43 N ATOM 295 CA LEU A 19 9.851 44.292 69.185 1.00 43.22 C ATOM 296 C LEU A 19 10.380 43.327 70.241 1.00 72.21 C ATOM 297 O LEU A 19 10.259 43.577 71.441 1.00 1.24 O ATOM 298 CB LEU A 19 8.449 43.868 68.746 1.00 52.10 C ATOM 299 CG LEU A 19 7.331 44.878 69.006 1.00 23.35 C ATOM 300 CD1 LEU A 19 6.111 44.553 68.158 1.00 31.44 C ATOM 301 CD2 LEU A 19 6.964 44.900 70.483 1.00 22.10 C ATOM 0 H LEU A 19 10.292 44.174 67.138 1.00 23.43 H new ATOM 0 HA LEU A 19 9.801 45.289 69.622 1.00 43.22 H new ATOM 0 HB2 LEU A 19 8.474 43.651 67.678 1.00 52.10 H new ATOM 0 HB3 LEU A 19 8.196 42.938 69.254 1.00 52.10 H new ATOM 0 HG LEU A 19 7.690 45.868 68.726 1.00 23.35 H new ATOM 0 HD11 LEU A 19 5.325 45.282 68.356 1.00 31.44 H new ATOM 0 HD12 LEU A 19 6.381 44.589 67.103 1.00 31.44 H new ATOM 0 HD13 LEU A 19 5.751 43.555 68.407 1.00 31.44 H new ATOM 0 HD21 LEU A 19 6.167 45.625 70.649 1.00 22.10 H new ATOM 0 HD22 LEU A 19 6.624 43.910 70.788 1.00 22.10 H new ATOM 0 HD23 LEU A 19 7.838 45.181 71.071 1.00 22.10 H new ATOM 313 N ASP A 20 10.966 42.224 69.788 1.00 62.44 N ATOM 314 CA ASP A 20 11.517 41.222 70.693 1.00 34.41 C ATOM 315 C ASP A 20 13.026 41.099 70.514 1.00 52.21 C ATOM 316 O ASP A 20 13.604 41.692 69.604 1.00 52.22 O ATOM 317 CB ASP A 20 10.849 39.868 70.454 1.00 3.53 C ATOM 318 CG ASP A 20 10.227 39.298 71.714 1.00 31.42 C ATOM 319 OD1 ASP A 20 9.253 39.896 72.218 1.00 73.40 O ATOM 320 OD2 ASP A 20 10.713 38.254 72.196 1.00 61.14 O ATOM 0 H ASP A 20 11.072 42.001 68.798 1.00 62.44 H new ATOM 0 HA ASP A 20 11.317 41.541 71.716 1.00 34.41 H new ATOM 0 HB2 ASP A 20 10.080 39.976 69.689 1.00 3.53 H new ATOM 0 HB3 ASP A 20 11.587 39.165 70.067 1.00 3.53 H new ATOM 325 N GLY A 21 13.659 40.324 71.390 1.00 0.20 N ATOM 326 CA GLY A 21 15.096 40.138 71.312 1.00 44.50 C ATOM 327 C GLY A 21 15.847 41.451 71.219 1.00 1.02 C ATOM 328 O GLY A 21 15.919 42.060 70.150 1.00 41.12 O ATOM 0 H GLY A 21 13.202 39.822 72.152 1.00 0.20 H new ATOM 0 HA2 GLY A 21 15.436 39.590 72.191 1.00 44.50 H new ATOM 0 HA3 GLY A 21 15.333 39.525 70.442 1.00 44.50 H new ATOM 332 N LEU A 22 16.407 41.892 72.341 1.00 24.03 N ATOM 333 CA LEU A 22 17.155 43.143 72.382 1.00 64.22 C ATOM 334 C LEU A 22 18.222 43.104 73.471 1.00 54.30 C ATOM 335 O LEU A 22 18.157 42.284 74.388 1.00 4.01 O ATOM 336 CB LEU A 22 16.208 44.319 72.621 1.00 73.33 C ATOM 337 CG LEU A 22 16.287 45.462 71.608 1.00 33.02 C ATOM 338 CD1 LEU A 22 14.903 45.797 71.073 1.00 34.25 C ATOM 339 CD2 LEU A 22 16.929 46.690 72.238 1.00 1.31 C ATOM 0 H LEU A 22 16.357 41.401 73.234 1.00 24.03 H new ATOM 0 HA LEU A 22 17.650 43.274 71.419 1.00 64.22 H new ATOM 0 HB2 LEU A 22 15.186 43.940 72.632 1.00 73.33 H new ATOM 0 HB3 LEU A 22 16.408 44.725 73.613 1.00 73.33 H new ATOM 0 HG LEU A 22 16.909 45.140 70.773 1.00 33.02 H new ATOM 0 HD11 LEU A 22 14.979 46.612 70.354 1.00 34.25 H new ATOM 0 HD12 LEU A 22 14.480 44.920 70.584 1.00 34.25 H new ATOM 0 HD13 LEU A 22 14.258 46.099 71.898 1.00 34.25 H new ATOM 0 HD21 LEU A 22 16.977 47.493 71.503 1.00 1.31 H new ATOM 0 HD22 LEU A 22 16.334 47.014 73.091 1.00 1.31 H new ATOM 0 HD23 LEU A 22 17.937 46.443 72.572 1.00 1.31 H new ATOM 351 N ARG A 23 19.200 43.998 73.368 1.00 10.10 N ATOM 352 CA ARG A 23 20.279 44.066 74.346 1.00 61.55 C ATOM 353 C ARG A 23 20.464 45.493 74.853 1.00 32.31 C ATOM 354 O ARG A 23 20.651 46.423 74.069 1.00 24.05 O ATOM 355 CB ARG A 23 21.586 43.559 73.732 1.00 21.34 C ATOM 356 CG ARG A 23 21.934 44.223 72.409 1.00 22.04 C ATOM 357 CD ARG A 23 23.343 43.865 71.961 1.00 13.44 C ATOM 358 NE ARG A 23 24.290 44.947 72.217 1.00 62.10 N ATOM 359 CZ ARG A 23 25.453 45.069 71.587 1.00 72.41 C ATOM 360 NH1 ARG A 23 25.810 44.182 70.668 1.00 10.01 N ATOM 361 NH2 ARG A 23 26.261 46.082 71.875 1.00 24.34 N ATOM 0 H ARG A 23 19.267 44.685 72.617 1.00 10.10 H new ATOM 0 HA ARG A 23 20.011 43.430 75.190 1.00 61.55 H new ATOM 0 HB2 ARG A 23 22.399 43.727 74.438 1.00 21.34 H new ATOM 0 HB3 ARG A 23 21.513 42.482 73.580 1.00 21.34 H new ATOM 0 HG2 ARG A 23 21.219 43.915 71.646 1.00 22.04 H new ATOM 0 HG3 ARG A 23 21.846 45.305 72.509 1.00 22.04 H new ATOM 0 HD2 ARG A 23 23.671 42.965 72.481 1.00 13.44 H new ATOM 0 HD3 ARG A 23 23.337 43.633 70.896 1.00 13.44 H new ATOM 0 HE ARG A 23 24.045 45.647 72.917 1.00 62.10 H new ATOM 0 HH11 ARG A 23 25.191 43.403 70.443 1.00 10.01 H new ATOM 0 HH12 ARG A 23 26.704 44.279 70.186 1.00 10.01 H new ATOM 0 HH21 ARG A 23 25.989 46.767 72.580 1.00 24.34 H new ATOM 0 HH22 ARG A 23 27.154 46.176 71.391 1.00 24.34 H new ATOM 449 N GLN A 30 7.220 50.926 76.225 1.00 40.33 N ATOM 450 CA GLN A 30 6.270 51.442 75.247 1.00 60.23 C ATOM 451 C GLN A 30 6.989 51.923 73.991 1.00 24.43 C ATOM 452 O GLN A 30 6.356 52.235 72.983 1.00 43.52 O ATOM 453 CB GLN A 30 5.455 52.586 75.852 1.00 72.31 C ATOM 454 CG GLN A 30 3.961 52.306 75.908 1.00 45.13 C ATOM 455 CD GLN A 30 3.451 52.145 77.326 1.00 74.34 C ATOM 456 OE1 GLN A 30 2.889 53.076 77.905 1.00 13.31 O ATOM 457 NE2 GLN A 30 3.645 50.961 77.895 1.00 73.54 N ATOM 0 HA GLN A 30 5.596 50.632 74.970 1.00 60.23 H new ATOM 0 HB2 GLN A 30 5.817 52.785 76.861 1.00 72.31 H new ATOM 0 HB3 GLN A 30 5.625 53.491 75.268 1.00 72.31 H new ATOM 0 HG2 GLN A 30 3.424 53.121 75.423 1.00 45.13 H new ATOM 0 HG3 GLN A 30 3.743 51.400 75.342 1.00 45.13 H new ATOM 0 HE21 GLN A 30 4.115 50.218 77.378 1.00 73.54 H new ATOM 0 HE22 GLN A 30 3.324 50.795 78.849 1.00 73.54 H new ATOM 466 N GLY A 31 8.316 51.980 74.059 1.00 10.21 N ATOM 467 CA GLY A 31 9.098 52.424 72.920 1.00 4.35 C ATOM 468 C GLY A 31 8.673 51.755 71.627 1.00 14.52 C ATOM 469 O GLY A 31 8.957 52.254 70.540 1.00 71.43 O ATOM 0 H GLY A 31 8.863 51.727 74.882 1.00 10.21 H new ATOM 0 HA2 GLY A 31 9.000 53.505 72.815 1.00 4.35 H new ATOM 0 HA3 GLY A 31 10.152 52.216 73.104 1.00 4.35 H new ATOM 473 N ASP A 32 7.993 50.620 71.747 1.00 0.05 N ATOM 474 CA ASP A 32 7.527 49.881 70.579 1.00 45.11 C ATOM 475 C ASP A 32 6.467 50.672 69.821 1.00 52.05 C ATOM 476 O ASP A 32 6.629 50.973 68.638 1.00 34.22 O ATOM 477 CB ASP A 32 6.964 48.522 71.000 1.00 24.41 C ATOM 478 CG ASP A 32 5.893 48.645 72.066 1.00 50.44 C ATOM 479 OD1 ASP A 32 6.195 49.186 73.150 1.00 70.03 O ATOM 480 OD2 ASP A 32 4.754 48.199 71.818 1.00 62.20 O ATOM 0 H ASP A 32 7.752 50.192 72.641 1.00 0.05 H new ATOM 0 HA ASP A 32 8.378 49.724 69.917 1.00 45.11 H new ATOM 0 HB2 ASP A 32 6.548 48.018 70.128 1.00 24.41 H new ATOM 0 HB3 ASP A 32 7.774 47.896 71.374 1.00 24.41 H new ATOM 485 N VAL A 33 5.381 51.008 70.510 1.00 1.13 N ATOM 486 CA VAL A 33 4.294 51.765 69.903 1.00 71.41 C ATOM 487 C VAL A 33 4.588 53.261 69.921 1.00 11.14 C ATOM 488 O VAL A 33 4.277 53.978 68.970 1.00 72.33 O ATOM 489 CB VAL A 33 2.958 51.507 70.625 1.00 3.01 C ATOM 490 CG1 VAL A 33 2.516 50.065 70.431 1.00 33.44 C ATOM 491 CG2 VAL A 33 3.079 51.842 72.104 1.00 21.34 C ATOM 0 H VAL A 33 5.231 50.767 71.490 1.00 1.13 H new ATOM 0 HA VAL A 33 4.212 51.426 68.870 1.00 71.41 H new ATOM 0 HB VAL A 33 2.198 52.156 70.190 1.00 3.01 H new ATOM 0 HG11 VAL A 33 1.570 49.902 70.948 1.00 33.44 H new ATOM 0 HG12 VAL A 33 2.387 49.864 69.367 1.00 33.44 H new ATOM 0 HG13 VAL A 33 3.273 49.395 70.838 1.00 33.44 H new ATOM 0 HG21 VAL A 33 2.126 51.654 72.599 1.00 21.34 H new ATOM 0 HG22 VAL A 33 3.852 51.220 72.556 1.00 21.34 H new ATOM 0 HG23 VAL A 33 3.346 52.893 72.218 1.00 21.34 H new ATOM 501 N LYS A 34 5.191 53.726 71.010 1.00 33.54 N ATOM 502 CA LYS A 34 5.529 55.137 71.154 1.00 63.01 C ATOM 503 C LYS A 34 6.169 55.675 69.878 1.00 41.45 C ATOM 504 O LYS A 34 5.918 56.812 69.477 1.00 15.34 O ATOM 505 CB LYS A 34 6.479 55.336 72.336 1.00 51.24 C ATOM 506 CG LYS A 34 7.239 56.651 72.292 1.00 32.42 C ATOM 507 CD LYS A 34 8.291 56.725 73.385 1.00 22.11 C ATOM 508 CE LYS A 34 9.613 57.253 72.851 1.00 44.55 C ATOM 509 NZ LYS A 34 10.705 56.247 72.977 1.00 10.40 N ATOM 0 H LYS A 34 5.456 53.146 71.806 1.00 33.54 H new ATOM 0 HA LYS A 34 4.608 55.689 71.339 1.00 63.01 H new ATOM 0 HB2 LYS A 34 5.907 55.287 73.263 1.00 51.24 H new ATOM 0 HB3 LYS A 34 7.194 54.514 72.359 1.00 51.24 H new ATOM 0 HG2 LYS A 34 7.716 56.764 71.319 1.00 32.42 H new ATOM 0 HG3 LYS A 34 6.540 57.480 72.402 1.00 32.42 H new ATOM 0 HD2 LYS A 34 7.938 57.371 74.188 1.00 22.11 H new ATOM 0 HD3 LYS A 34 8.441 55.735 73.815 1.00 22.11 H new ATOM 0 HE2 LYS A 34 9.496 57.532 71.804 1.00 44.55 H new ATOM 0 HE3 LYS A 34 9.888 58.157 73.393 1.00 44.55 H new ATOM 0 HZ1 LYS A 34 11.589 56.646 72.602 1.00 10.40 H new ATOM 0 HZ2 LYS A 34 10.835 55.999 73.979 1.00 10.40 H new ATOM 0 HZ3 LYS A 34 10.454 55.393 72.438 1.00 10.40 H new ATOM 523 N VAL A 35 6.997 54.851 69.243 1.00 31.25 N ATOM 524 CA VAL A 35 7.670 55.243 68.011 1.00 61.10 C ATOM 525 C VAL A 35 6.793 54.971 66.794 1.00 5.33 C ATOM 526 O VAL A 35 7.016 55.526 65.718 1.00 5.33 O ATOM 527 CB VAL A 35 9.009 54.501 67.843 1.00 62.30 C ATOM 528 CG1 VAL A 35 9.840 54.603 69.112 1.00 61.44 C ATOM 529 CG2 VAL A 35 8.768 53.046 67.468 1.00 74.44 C ATOM 0 H VAL A 35 7.218 53.908 69.562 1.00 31.25 H new ATOM 0 HA VAL A 35 7.863 56.313 68.083 1.00 61.10 H new ATOM 0 HB VAL A 35 9.567 54.973 67.034 1.00 62.30 H new ATOM 0 HG11 VAL A 35 10.782 54.073 68.974 1.00 61.44 H new ATOM 0 HG12 VAL A 35 10.043 55.651 69.331 1.00 61.44 H new ATOM 0 HG13 VAL A 35 9.292 54.158 69.943 1.00 61.44 H new ATOM 0 HG21 VAL A 35 9.725 52.537 67.353 1.00 74.44 H new ATOM 0 HG22 VAL A 35 8.189 52.559 68.253 1.00 74.44 H new ATOM 0 HG23 VAL A 35 8.217 52.999 66.529 1.00 74.44 H new ATOM 539 N TRP A 36 5.796 54.112 66.971 1.00 34.31 N ATOM 540 CA TRP A 36 4.884 53.765 65.887 1.00 13.42 C ATOM 541 C TRP A 36 4.486 55.004 65.093 1.00 63.25 C ATOM 542 O TRP A 36 4.697 55.070 63.882 1.00 33.54 O ATOM 543 CB TRP A 36 3.636 53.078 66.443 1.00 32.44 C ATOM 544 CG TRP A 36 2.729 52.540 65.378 1.00 34.40 C ATOM 545 CD1 TRP A 36 2.344 53.177 64.232 1.00 4.44 C ATOM 546 CD2 TRP A 36 2.092 51.259 65.360 1.00 12.35 C ATOM 547 NE1 TRP A 36 1.506 52.366 63.503 1.00 70.02 N ATOM 548 CE2 TRP A 36 1.337 51.184 64.173 1.00 52.54 C ATOM 549 CE3 TRP A 36 2.088 50.165 66.231 1.00 63.34 C ATOM 550 CZ2 TRP A 36 0.587 50.060 63.839 1.00 75.51 C ATOM 551 CZ3 TRP A 36 1.342 49.050 65.898 1.00 64.54 C ATOM 552 CH2 TRP A 36 0.600 49.005 64.710 1.00 4.43 C ATOM 0 H TRP A 36 5.598 53.643 67.855 1.00 34.31 H new ATOM 0 HA TRP A 36 5.401 53.078 65.217 1.00 13.42 H new ATOM 0 HB2 TRP A 36 3.941 52.261 67.097 1.00 32.44 H new ATOM 0 HB3 TRP A 36 3.082 53.788 67.057 1.00 32.44 H new ATOM 0 HD1 TRP A 36 2.652 54.171 63.942 1.00 4.44 H new ATOM 0 HE1 TRP A 36 1.079 52.606 62.608 1.00 70.02 H new ATOM 0 HE3 TRP A 36 2.658 50.191 67.148 1.00 63.34 H new ATOM 0 HZ2 TRP A 36 0.015 50.022 62.924 1.00 75.51 H new ATOM 0 HZ3 TRP A 36 1.331 48.200 66.564 1.00 64.54 H new ATOM 0 HH2 TRP A 36 0.027 48.120 64.477 1.00 4.43 H new ATOM 563 N MET A 37 3.911 55.984 65.782 1.00 44.13 N ATOM 564 CA MET A 37 3.486 57.222 65.139 1.00 44.14 C ATOM 565 C MET A 37 4.690 58.065 64.731 1.00 41.13 C ATOM 566 O MET A 37 4.825 58.450 63.570 1.00 40.11 O ATOM 567 CB MET A 37 2.581 58.025 66.076 1.00 41.53 C ATOM 568 CG MET A 37 3.170 58.226 67.464 1.00 22.01 C ATOM 569 SD MET A 37 1.944 58.042 68.772 1.00 31.12 S ATOM 570 CE MET A 37 1.561 56.298 68.634 1.00 5.35 C ATOM 0 H MET A 37 3.729 55.945 66.785 1.00 44.13 H new ATOM 0 HA MET A 37 2.927 56.961 64.241 1.00 44.14 H new ATOM 0 HB2 MET A 37 2.383 58.999 65.630 1.00 41.53 H new ATOM 0 HB3 MET A 37 1.622 57.515 66.167 1.00 41.53 H new ATOM 0 HG2 MET A 37 3.974 57.507 67.621 1.00 22.01 H new ATOM 0 HG3 MET A 37 3.615 59.219 67.525 1.00 22.01 H new ATOM 0 HE1 MET A 37 0.495 56.145 68.804 1.00 5.35 H new ATOM 0 HE2 MET A 37 1.824 55.946 67.637 1.00 5.35 H new ATOM 0 HE3 MET A 37 2.130 55.740 69.378 1.00 5.35 H new ATOM 580 N GLN A 38 5.563 58.348 65.694 1.00 1.52 N ATOM 581 CA GLN A 38 6.755 59.145 65.433 1.00 42.50 C ATOM 582 C GLN A 38 7.513 58.612 64.223 1.00 3.13 C ATOM 583 O GLN A 38 8.244 59.349 63.562 1.00 60.30 O ATOM 584 CB GLN A 38 7.669 59.150 66.661 1.00 63.41 C ATOM 585 CG GLN A 38 8.825 58.168 66.563 1.00 31.45 C ATOM 586 CD GLN A 38 10.070 58.789 65.963 1.00 75.31 C ATOM 587 OE1 GLN A 38 9.991 59.746 65.192 1.00 33.31 O ATOM 588 NE2 GLN A 38 11.230 58.247 66.314 1.00 22.11 N ATOM 0 H GLN A 38 5.466 58.037 66.661 1.00 1.52 H new ATOM 0 HA GLN A 38 6.439 60.166 65.219 1.00 42.50 H new ATOM 0 HB2 GLN A 38 8.068 60.155 66.803 1.00 63.41 H new ATOM 0 HB3 GLN A 38 7.077 58.914 67.545 1.00 63.41 H new ATOM 0 HG2 GLN A 38 9.057 57.786 67.557 1.00 31.45 H new ATOM 0 HG3 GLN A 38 8.521 57.315 65.957 1.00 31.45 H new ATOM 0 HE21 GLN A 38 11.249 57.455 66.956 1.00 22.11 H new ATOM 0 HE22 GLN A 38 12.102 58.623 65.942 1.00 22.11 H new ATOM 597 N ASN A 39 7.334 57.326 63.938 1.00 44.24 N ATOM 598 CA ASN A 39 8.004 56.694 62.807 1.00 35.35 C ATOM 599 C ASN A 39 7.381 57.141 61.488 1.00 24.41 C ATOM 600 O ASN A 39 8.085 57.549 60.562 1.00 11.44 O ATOM 601 CB ASN A 39 7.927 55.170 62.928 1.00 54.23 C ATOM 602 CG ASN A 39 9.228 54.564 63.418 1.00 23.24 C ATOM 603 OD1 ASN A 39 10.307 55.110 63.186 1.00 33.11 O ATOM 604 ND2 ASN A 39 9.132 53.427 64.099 1.00 73.42 N ATOM 0 H ASN A 39 6.731 56.702 64.474 1.00 44.24 H new ATOM 0 HA ASN A 39 9.050 57.001 62.818 1.00 35.35 H new ATOM 0 HB2 ASN A 39 7.123 54.903 63.614 1.00 54.23 H new ATOM 0 HB3 ASN A 39 7.673 54.743 61.958 1.00 54.23 H new ATOM 0 HD21 ASN A 39 9.973 52.972 64.453 1.00 73.42 H new ATOM 0 HD22 ASN A 39 8.217 53.010 64.268 1.00 73.42 H new ATOM 611 N LEU A 40 6.057 57.063 61.408 1.00 61.44 N ATOM 612 CA LEU A 40 5.339 57.460 60.202 1.00 70.31 C ATOM 613 C LEU A 40 5.145 58.973 60.158 1.00 31.23 C ATOM 614 O LEU A 40 4.854 59.540 59.105 1.00 64.15 O ATOM 615 CB LEU A 40 3.982 56.759 60.140 1.00 22.54 C ATOM 616 CG LEU A 40 3.763 55.628 61.146 1.00 70.22 C ATOM 617 CD1 LEU A 40 2.366 55.045 60.999 1.00 71.33 C ATOM 618 CD2 LEU A 40 4.816 54.545 60.968 1.00 30.31 C ATOM 0 H LEU A 40 5.459 56.729 62.164 1.00 61.44 H new ATOM 0 HA LEU A 40 5.935 57.163 59.339 1.00 70.31 H new ATOM 0 HB2 LEU A 40 3.203 57.506 60.289 1.00 22.54 H new ATOM 0 HB3 LEU A 40 3.850 56.356 59.136 1.00 22.54 H new ATOM 0 HG LEU A 40 3.859 56.038 62.151 1.00 70.22 H new ATOM 0 HD11 LEU A 40 2.229 54.242 61.723 1.00 71.33 H new ATOM 0 HD12 LEU A 40 1.626 55.825 61.178 1.00 71.33 H new ATOM 0 HD13 LEU A 40 2.241 54.650 59.991 1.00 71.33 H new ATOM 0 HD21 LEU A 40 4.645 53.748 61.692 1.00 30.31 H new ATOM 0 HD22 LEU A 40 4.752 54.138 59.959 1.00 30.31 H new ATOM 0 HD23 LEU A 40 5.807 54.971 61.125 1.00 30.31 H new ATOM 630 N GLU A 41 5.309 59.619 61.308 1.00 73.13 N ATOM 631 CA GLU A 41 5.152 61.066 61.398 1.00 54.34 C ATOM 632 C GLU A 41 5.822 61.762 60.217 1.00 22.13 C ATOM 633 O GLU A 41 5.483 62.895 59.876 1.00 5.32 O ATOM 634 CB GLU A 41 5.744 61.584 62.712 1.00 44.33 C ATOM 635 CG GLU A 41 4.964 62.739 63.317 1.00 0.31 C ATOM 636 CD GLU A 41 5.307 64.072 62.682 1.00 30.45 C ATOM 637 OE1 GLU A 41 6.355 64.648 63.041 1.00 2.11 O ATOM 638 OE2 GLU A 41 4.527 64.539 61.825 1.00 52.33 O ATOM 0 H GLU A 41 5.550 59.164 62.189 1.00 73.13 H new ATOM 0 HA GLU A 41 4.086 61.292 61.373 1.00 54.34 H new ATOM 0 HB2 GLU A 41 5.782 60.766 63.431 1.00 44.33 H new ATOM 0 HB3 GLU A 41 6.772 61.903 62.537 1.00 44.33 H new ATOM 0 HG2 GLU A 41 3.896 62.551 63.203 1.00 0.31 H new ATOM 0 HG3 GLU A 41 5.166 62.788 64.387 1.00 0.31 H new ATOM 645 N ASP A 42 6.775 61.074 59.597 1.00 42.11 N ATOM 646 CA ASP A 42 7.494 61.624 58.453 1.00 33.33 C ATOM 647 C ASP A 42 6.654 61.521 57.184 1.00 2.43 C ATOM 648 O ASP A 42 6.326 62.530 56.559 1.00 2.30 O ATOM 649 CB ASP A 42 8.824 60.895 58.261 1.00 12.10 C ATOM 650 CG ASP A 42 9.840 61.732 57.509 1.00 74.54 C ATOM 651 OD1 ASP A 42 10.530 62.550 58.154 1.00 54.31 O ATOM 652 OD2 ASP A 42 9.945 61.570 56.276 1.00 63.35 O ATOM 0 H ASP A 42 7.067 60.135 59.867 1.00 42.11 H new ATOM 0 HA ASP A 42 7.692 62.677 58.651 1.00 33.33 H new ATOM 0 HB2 ASP A 42 9.231 60.624 59.235 1.00 12.10 H new ATOM 0 HB3 ASP A 42 8.651 59.966 57.719 1.00 12.10 H new ATOM 657 N LEU A 43 6.310 60.293 56.807 1.00 41.35 N ATOM 658 CA LEU A 43 5.510 60.056 55.611 1.00 60.43 C ATOM 659 C LEU A 43 4.084 60.564 55.800 1.00 35.20 C ATOM 660 O LEU A 43 3.357 60.785 54.831 1.00 64.14 O ATOM 661 CB LEU A 43 5.492 58.566 55.271 1.00 14.34 C ATOM 662 CG LEU A 43 5.291 58.214 53.798 1.00 23.23 C ATOM 663 CD1 LEU A 43 5.848 59.313 52.906 1.00 20.43 C ATOM 664 CD2 LEU A 43 5.945 56.879 53.472 1.00 52.33 C ATOM 0 H LEU A 43 6.573 59.447 57.313 1.00 41.35 H new ATOM 0 HA LEU A 43 5.965 60.604 54.786 1.00 60.43 H new ATOM 0 HB2 LEU A 43 6.433 58.127 55.603 1.00 14.34 H new ATOM 0 HB3 LEU A 43 4.698 58.092 55.848 1.00 14.34 H new ATOM 0 HG LEU A 43 4.221 58.127 53.609 1.00 23.23 H new ATOM 0 HD11 LEU A 43 5.696 59.045 51.860 1.00 20.43 H new ATOM 0 HD12 LEU A 43 5.334 60.250 53.119 1.00 20.43 H new ATOM 0 HD13 LEU A 43 6.914 59.433 53.099 1.00 20.43 H new ATOM 0 HD21 LEU A 43 5.791 56.646 52.418 1.00 52.33 H new ATOM 0 HD22 LEU A 43 7.014 56.937 53.678 1.00 52.33 H new ATOM 0 HD23 LEU A 43 5.499 56.096 54.086 1.00 52.33 H new ATOM 676 N HIS A 44 3.688 60.748 57.057 1.00 5.41 N ATOM 677 CA HIS A 44 2.350 61.232 57.374 1.00 72.04 C ATOM 678 C HIS A 44 1.940 62.357 56.427 1.00 40.42 C ATOM 679 O HIS A 44 0.780 62.456 56.029 1.00 14.10 O ATOM 680 CB HIS A 44 2.291 61.721 58.822 1.00 45.10 C ATOM 681 CG HIS A 44 0.898 61.843 59.357 1.00 63.13 C ATOM 682 ND1 HIS A 44 -0.059 62.654 58.784 1.00 35.23 N ATOM 683 CD2 HIS A 44 0.302 61.251 60.417 1.00 4.13 C ATOM 684 CE1 HIS A 44 -1.185 62.555 59.471 1.00 44.51 C ATOM 685 NE2 HIS A 44 -0.991 61.709 60.467 1.00 70.22 N ATOM 0 H HIS A 44 4.275 60.569 57.871 1.00 5.41 H new ATOM 0 HA HIS A 44 1.652 60.404 57.250 1.00 72.04 H new ATOM 0 HB2 HIS A 44 2.854 61.033 59.452 1.00 45.10 H new ATOM 0 HB3 HIS A 44 2.783 62.691 58.889 1.00 45.10 H new ATOM 0 HD1 HIS A 44 0.080 63.239 57.960 1.00 35.23 H new ATOM 0 HD2 HIS A 44 0.759 60.548 61.098 1.00 4.13 H new ATOM 0 HE1 HIS A 44 -2.106 63.077 59.255 1.00 44.51 H new ATOM 693 N THR A 45 2.902 63.204 56.071 1.00 21.23 N ATOM 694 CA THR A 45 2.640 64.322 55.174 1.00 3.40 C ATOM 695 C THR A 45 1.868 63.869 53.941 1.00 12.05 C ATOM 696 O THR A 45 0.941 64.545 53.494 1.00 53.13 O ATOM 697 CB THR A 45 3.949 64.999 54.725 1.00 41.02 C ATOM 698 OG1 THR A 45 4.694 65.434 55.869 1.00 22.01 O ATOM 699 CG2 THR A 45 3.662 66.187 53.820 1.00 30.14 C ATOM 0 H THR A 45 3.868 63.136 56.390 1.00 21.23 H new ATOM 0 HA THR A 45 2.039 65.040 55.732 1.00 3.40 H new ATOM 0 HB THR A 45 4.535 64.270 54.166 1.00 41.02 H new ATOM 0 HG1 THR A 45 5.525 65.862 55.575 1.00 22.01 H new ATOM 0 HG21 THR A 45 4.602 66.648 53.516 1.00 30.14 H new ATOM 0 HG22 THR A 45 3.121 65.849 52.936 1.00 30.14 H new ATOM 0 HG23 THR A 45 3.057 66.917 54.358 1.00 30.14 H new ATOM 707 N ARG A 46 2.254 62.720 53.395 1.00 14.31 N ATOM 708 CA ARG A 46 1.596 62.177 52.212 1.00 54.23 C ATOM 709 C ARG A 46 0.677 61.017 52.585 1.00 55.22 C ATOM 710 O ARG A 46 -0.531 61.069 52.351 1.00 2.30 O ATOM 711 CB ARG A 46 2.637 61.709 51.194 1.00 2.22 C ATOM 712 CG ARG A 46 2.901 62.716 50.087 1.00 64.52 C ATOM 713 CD ARG A 46 2.572 62.140 48.718 1.00 73.14 C ATOM 714 NE ARG A 46 3.027 63.008 47.635 1.00 3.20 N ATOM 715 CZ ARG A 46 3.216 62.589 46.389 1.00 5.30 C ATOM 716 NH1 ARG A 46 2.989 61.322 46.070 1.00 42.23 N ATOM 717 NH2 ARG A 46 3.632 63.438 45.458 1.00 43.33 N ATOM 0 H ARG A 46 3.019 62.147 53.753 1.00 14.31 H new ATOM 0 HA ARG A 46 0.992 62.968 51.767 1.00 54.23 H new ATOM 0 HB2 ARG A 46 3.572 61.499 51.713 1.00 2.22 H new ATOM 0 HB3 ARG A 46 2.302 60.772 50.749 1.00 2.22 H new ATOM 0 HG2 ARG A 46 2.304 63.612 50.259 1.00 64.52 H new ATOM 0 HG3 ARG A 46 3.947 63.020 50.113 1.00 64.52 H new ATOM 0 HD2 ARG A 46 3.037 61.159 48.616 1.00 73.14 H new ATOM 0 HD3 ARG A 46 1.495 61.992 48.636 1.00 73.14 H new ATOM 0 HE ARG A 46 3.209 63.989 47.847 1.00 3.20 H new ATOM 0 HH11 ARG A 46 2.668 60.666 46.782 1.00 42.23 H new ATOM 0 HH12 ARG A 46 3.135 61.003 45.112 1.00 42.23 H new ATOM 0 HH21 ARG A 46 3.807 64.414 45.699 1.00 43.33 H new ATOM 0 HH22 ARG A 46 3.777 63.115 44.501 1.00 43.33 H new ATOM 731 N ARG A 47 1.257 59.973 53.167 1.00 54.11 N ATOM 732 CA ARG A 47 0.491 58.800 53.571 1.00 42.31 C ATOM 733 C ARG A 47 1.216 58.029 54.669 1.00 54.53 C ATOM 734 O ARG A 47 2.213 57.347 54.430 1.00 61.13 O ATOM 735 CB ARG A 47 0.245 57.886 52.370 1.00 22.41 C ATOM 736 CG ARG A 47 -1.075 57.136 52.435 1.00 70.10 C ATOM 737 CD ARG A 47 -0.959 55.750 51.820 1.00 20.40 C ATOM 738 NE ARG A 47 -1.785 55.611 50.624 1.00 32.41 N ATOM 739 CZ ARG A 47 -1.745 54.554 49.821 1.00 61.15 C ATOM 740 NH1 ARG A 47 -0.922 53.548 50.085 1.00 32.42 N ATOM 741 NH2 ARG A 47 -2.528 54.501 48.751 1.00 71.20 N ATOM 0 H ARG A 47 2.255 59.915 53.369 1.00 54.11 H new ATOM 0 HA ARG A 47 -0.468 59.141 53.962 1.00 42.31 H new ATOM 0 HB2 ARG A 47 0.269 58.484 51.459 1.00 22.41 H new ATOM 0 HB3 ARG A 47 1.060 57.165 52.300 1.00 22.41 H new ATOM 0 HG2 ARG A 47 -1.394 57.049 53.473 1.00 70.10 H new ATOM 0 HG3 ARG A 47 -1.844 57.704 51.912 1.00 70.10 H new ATOM 0 HD2 ARG A 47 0.082 55.552 51.566 1.00 20.40 H new ATOM 0 HD3 ARG A 47 -1.256 55.001 52.555 1.00 20.40 H new ATOM 0 HE ARG A 47 -2.428 56.368 50.392 1.00 32.41 H new ATOM 0 HH11 ARG A 47 -0.318 53.585 50.906 1.00 32.42 H new ATOM 0 HH12 ARG A 47 -0.893 52.737 49.467 1.00 32.42 H new ATOM 0 HH21 ARG A 47 -3.162 55.273 48.544 1.00 71.20 H new ATOM 0 HH22 ARG A 47 -2.496 53.688 48.135 1.00 71.20 H new ATOM 755 N PRO A 48 0.706 58.137 55.906 1.00 64.13 N ATOM 756 CA PRO A 48 1.289 57.457 57.066 1.00 64.13 C ATOM 757 C PRO A 48 1.093 55.947 57.011 1.00 35.14 C ATOM 758 O PRO A 48 2.044 55.181 57.166 1.00 13.22 O ATOM 759 CB PRO A 48 0.524 58.055 58.249 1.00 62.21 C ATOM 760 CG PRO A 48 -0.777 58.498 57.673 1.00 52.31 C ATOM 761 CD PRO A 48 -0.480 58.933 56.265 1.00 31.12 C ATOM 0 HA PRO A 48 2.368 57.600 57.123 1.00 64.13 H new ATOM 0 HB2 PRO A 48 0.377 57.318 59.039 1.00 62.21 H new ATOM 0 HB3 PRO A 48 1.067 58.891 58.690 1.00 62.21 H new ATOM 0 HG2 PRO A 48 -1.505 57.687 57.685 1.00 52.31 H new ATOM 0 HG3 PRO A 48 -1.202 59.317 58.253 1.00 52.31 H new ATOM 0 HD2 PRO A 48 -1.317 58.731 55.597 1.00 31.12 H new ATOM 0 HD3 PRO A 48 -0.278 60.003 56.209 1.00 31.12 H new ATOM 769 N ASP A 49 -0.147 55.524 56.791 1.00 34.34 N ATOM 770 CA ASP A 49 -0.469 54.103 56.715 1.00 34.40 C ATOM 771 C ASP A 49 0.492 53.379 55.779 1.00 2.12 C ATOM 772 O ASP A 49 0.660 52.163 55.868 1.00 41.54 O ATOM 773 CB ASP A 49 -1.909 53.910 56.238 1.00 15.14 C ATOM 774 CG ASP A 49 -2.353 52.463 56.308 1.00 3.53 C ATOM 775 OD1 ASP A 49 -2.122 51.820 57.354 1.00 42.23 O ATOM 776 OD2 ASP A 49 -2.931 51.971 55.317 1.00 31.33 O ATOM 0 H ASP A 49 -0.946 56.145 56.662 1.00 34.34 H new ATOM 0 HA ASP A 49 -0.366 53.677 57.713 1.00 34.40 H new ATOM 0 HB2 ASP A 49 -2.575 54.521 56.847 1.00 15.14 H new ATOM 0 HB3 ASP A 49 -1.999 54.265 55.212 1.00 15.14 H new ATOM 781 N GLU A 50 1.118 54.133 54.881 1.00 21.54 N ATOM 782 CA GLU A 50 2.059 53.560 53.926 1.00 50.52 C ATOM 783 C GLU A 50 3.423 53.339 54.574 1.00 72.22 C ATOM 784 O GLU A 50 4.082 52.328 54.332 1.00 63.21 O ATOM 785 CB GLU A 50 2.204 54.474 52.707 1.00 2.43 C ATOM 786 CG GLU A 50 3.573 54.404 52.052 1.00 51.42 C ATOM 787 CD GLU A 50 3.575 54.961 50.643 1.00 70.24 C ATOM 788 OE1 GLU A 50 3.316 56.172 50.483 1.00 70.13 O ATOM 789 OE2 GLU A 50 3.837 54.187 49.699 1.00 5.32 O ATOM 0 H GLU A 50 0.991 55.141 54.795 1.00 21.54 H new ATOM 0 HA GLU A 50 1.668 52.595 53.603 1.00 50.52 H new ATOM 0 HB2 GLU A 50 1.445 54.208 51.972 1.00 2.43 H new ATOM 0 HB3 GLU A 50 2.008 55.503 53.010 1.00 2.43 H new ATOM 0 HG2 GLU A 50 4.290 54.957 52.658 1.00 51.42 H new ATOM 0 HG3 GLU A 50 3.908 53.367 52.029 1.00 51.42 H new ATOM 796 N PHE A 51 3.841 54.294 55.399 1.00 30.15 N ATOM 797 CA PHE A 51 5.127 54.205 56.082 1.00 42.00 C ATOM 798 C PHE A 51 5.104 53.111 57.145 1.00 23.40 C ATOM 799 O PHE A 51 6.151 52.641 57.593 1.00 61.02 O ATOM 800 CB PHE A 51 5.481 55.549 56.724 1.00 3.24 C ATOM 801 CG PHE A 51 6.866 55.590 57.304 1.00 4.54 C ATOM 802 CD1 PHE A 51 7.127 55.035 58.546 1.00 12.12 C ATOM 803 CD2 PHE A 51 7.906 56.181 56.606 1.00 25.13 C ATOM 804 CE1 PHE A 51 8.401 55.071 59.083 1.00 31.31 C ATOM 805 CE2 PHE A 51 9.182 56.220 57.137 1.00 42.22 C ATOM 806 CZ PHE A 51 9.429 55.663 58.377 1.00 60.45 C ATOM 0 H PHE A 51 3.308 55.138 55.611 1.00 30.15 H new ATOM 0 HA PHE A 51 5.887 53.952 55.342 1.00 42.00 H new ATOM 0 HB2 PHE A 51 5.385 56.336 55.976 1.00 3.24 H new ATOM 0 HB3 PHE A 51 4.759 55.768 57.511 1.00 3.24 H new ATOM 0 HD1 PHE A 51 6.327 54.569 59.101 1.00 12.12 H new ATOM 0 HD2 PHE A 51 7.718 56.616 55.636 1.00 25.13 H new ATOM 0 HE1 PHE A 51 8.591 54.637 60.053 1.00 31.31 H new ATOM 0 HE2 PHE A 51 9.984 56.685 56.583 1.00 42.22 H new ATOM 0 HZ PHE A 51 10.425 55.691 58.793 1.00 60.45 H new ATOM 816 N THR A 52 3.902 52.709 57.546 1.00 52.11 N ATOM 817 CA THR A 52 3.741 51.671 58.558 1.00 43.04 C ATOM 818 C THR A 52 4.784 50.571 58.387 1.00 75.12 C ATOM 819 O THR A 52 5.138 49.887 59.347 1.00 23.45 O ATOM 820 CB THR A 52 2.336 51.044 58.501 1.00 71.40 C ATOM 821 OG1 THR A 52 2.099 50.488 57.203 1.00 61.52 O ATOM 822 CG2 THR A 52 1.267 52.081 58.817 1.00 44.34 C ATOM 0 H THR A 52 3.025 53.086 57.186 1.00 52.11 H new ATOM 0 HA THR A 52 3.877 52.150 59.527 1.00 43.04 H new ATOM 0 HB THR A 52 2.285 50.253 59.249 1.00 71.40 H new ATOM 0 HG1 THR A 52 1.349 50.955 56.779 1.00 61.52 H new ATOM 0 HG21 THR A 52 0.283 51.615 58.771 1.00 44.34 H new ATOM 0 HG22 THR A 52 1.432 52.481 59.817 1.00 44.34 H new ATOM 0 HG23 THR A 52 1.319 52.891 58.089 1.00 44.34 H new ATOM 830 N ALA A 53 5.270 50.409 57.162 1.00 25.00 N ATOM 831 CA ALA A 53 6.274 49.394 56.868 1.00 3.12 C ATOM 832 C ALA A 53 7.421 49.448 57.871 1.00 61.23 C ATOM 833 O ALA A 53 8.175 48.487 58.018 1.00 11.53 O ATOM 834 CB ALA A 53 6.801 49.568 55.450 1.00 15.21 C ATOM 0 H ALA A 53 4.985 50.967 56.357 1.00 25.00 H new ATOM 0 HA ALA A 53 5.800 48.416 56.951 1.00 3.12 H new ATOM 0 HB1 ALA A 53 7.550 48.803 55.244 1.00 15.21 H new ATOM 0 HB2 ALA A 53 5.978 49.470 54.742 1.00 15.21 H new ATOM 0 HB3 ALA A 53 7.252 50.555 55.348 1.00 15.21 H new ATOM 840 N ARG A 54 7.548 50.580 58.557 1.00 51.21 N ATOM 841 CA ARG A 54 8.605 50.761 59.545 1.00 25.45 C ATOM 842 C ARG A 54 8.249 50.064 60.855 1.00 10.20 C ATOM 843 O ARG A 54 8.902 49.100 61.256 1.00 51.12 O ATOM 844 CB ARG A 54 8.848 52.250 59.796 1.00 23.10 C ATOM 845 CG ARG A 54 10.173 52.542 60.482 1.00 63.53 C ATOM 846 CD ARG A 54 11.328 52.528 59.493 1.00 0.40 C ATOM 847 NE ARG A 54 12.612 52.316 60.154 1.00 53.40 N ATOM 848 CZ ARG A 54 13.775 52.705 59.644 1.00 53.32 C ATOM 849 NH1 ARG A 54 13.815 53.323 58.472 1.00 13.13 N ATOM 850 NH2 ARG A 54 14.902 52.475 60.307 1.00 73.45 N ATOM 0 H ARG A 54 6.932 51.385 58.446 1.00 51.21 H new ATOM 0 HA ARG A 54 9.517 50.313 59.151 1.00 25.45 H new ATOM 0 HB2 ARG A 54 8.816 52.780 58.844 1.00 23.10 H new ATOM 0 HB3 ARG A 54 8.037 52.644 60.408 1.00 23.10 H new ATOM 0 HG2 ARG A 54 10.124 53.515 60.972 1.00 63.53 H new ATOM 0 HG3 ARG A 54 10.351 51.801 61.262 1.00 63.53 H new ATOM 0 HD2 ARG A 54 11.165 51.741 58.757 1.00 0.40 H new ATOM 0 HD3 ARG A 54 11.352 53.473 58.950 1.00 0.40 H new ATOM 0 HE ARG A 54 12.616 51.843 61.058 1.00 53.40 H new ATOM 0 HH11 ARG A 54 12.951 53.501 57.960 1.00 13.13 H new ATOM 0 HH12 ARG A 54 14.710 53.621 58.083 1.00 13.13 H new ATOM 0 HH21 ARG A 54 14.875 51.999 61.209 1.00 73.45 H new ATOM 0 HH22 ARG A 54 15.795 52.774 59.915 1.00 73.45 H new ATOM 864 N LEU A 55 7.210 50.560 61.518 1.00 11.23 N ATOM 865 CA LEU A 55 6.766 49.986 62.784 1.00 12.21 C ATOM 866 C LEU A 55 6.194 48.587 62.578 1.00 42.22 C ATOM 867 O LEU A 55 6.091 47.803 63.520 1.00 54.30 O ATOM 868 CB LEU A 55 5.716 50.888 63.436 1.00 42.30 C ATOM 869 CG LEU A 55 4.259 50.581 63.087 1.00 70.24 C ATOM 870 CD1 LEU A 55 4.058 50.593 61.579 1.00 54.12 C ATOM 871 CD2 LEU A 55 3.840 49.241 63.673 1.00 61.10 C ATOM 0 H LEU A 55 6.659 51.358 61.200 1.00 11.23 H new ATOM 0 HA LEU A 55 7.631 49.911 63.443 1.00 12.21 H new ATOM 0 HB2 LEU A 55 5.831 50.823 64.518 1.00 42.30 H new ATOM 0 HB3 LEU A 55 5.927 51.920 63.154 1.00 42.30 H new ATOM 0 HG LEU A 55 3.630 51.357 63.523 1.00 70.24 H new ATOM 0 HD11 LEU A 55 3.016 50.373 61.349 1.00 54.12 H new ATOM 0 HD12 LEU A 55 4.316 51.576 61.185 1.00 54.12 H new ATOM 0 HD13 LEU A 55 4.698 49.839 61.121 1.00 54.12 H new ATOM 0 HD21 LEU A 55 2.800 49.040 63.414 1.00 61.10 H new ATOM 0 HD22 LEU A 55 4.474 48.452 63.268 1.00 61.10 H new ATOM 0 HD23 LEU A 55 3.945 49.269 64.758 1.00 61.10 H new ATOM 883 N GLN A 56 5.825 48.281 61.338 1.00 62.32 N ATOM 884 CA GLN A 56 5.265 46.976 61.007 1.00 32.02 C ATOM 885 C GLN A 56 6.308 45.877 61.177 1.00 61.14 C ATOM 886 O GLN A 56 5.977 44.740 61.514 1.00 75.53 O ATOM 887 CB GLN A 56 4.733 46.974 59.573 1.00 71.33 C ATOM 888 CG GLN A 56 4.161 45.634 59.138 1.00 42.42 C ATOM 889 CD GLN A 56 3.813 45.599 57.664 1.00 62.42 C ATOM 890 OE1 GLN A 56 4.694 45.520 56.807 1.00 42.23 O ATOM 891 NE2 GLN A 56 2.522 45.659 57.358 1.00 53.13 N ATOM 0 H GLN A 56 5.904 48.919 60.546 1.00 62.32 H new ATOM 0 HA GLN A 56 4.441 46.778 61.692 1.00 32.02 H new ATOM 0 HB2 GLN A 56 3.960 47.737 59.480 1.00 71.33 H new ATOM 0 HB3 GLN A 56 5.539 47.253 58.895 1.00 71.33 H new ATOM 0 HG2 GLN A 56 4.883 44.847 59.356 1.00 42.42 H new ATOM 0 HG3 GLN A 56 3.268 45.417 59.724 1.00 42.42 H new ATOM 0 HE21 GLN A 56 1.825 45.724 58.100 1.00 53.13 H new ATOM 0 HE22 GLN A 56 2.228 45.640 56.381 1.00 53.13 H new ATOM 900 N GLN A 57 7.569 46.223 60.941 1.00 71.13 N ATOM 901 CA GLN A 57 8.661 45.266 61.068 1.00 2.51 C ATOM 902 C GLN A 57 8.755 44.733 62.493 1.00 12.53 C ATOM 903 O GLN A 57 9.172 43.596 62.715 1.00 42.50 O ATOM 904 CB GLN A 57 9.987 45.914 60.665 1.00 22.34 C ATOM 905 CG GLN A 57 10.212 45.952 59.161 1.00 71.04 C ATOM 906 CD GLN A 57 11.407 46.800 58.773 1.00 25.21 C ATOM 907 OE1 GLN A 57 11.280 47.765 58.018 1.00 22.13 O ATOM 908 NE2 GLN A 57 12.578 46.444 59.286 1.00 0.31 N ATOM 0 H GLN A 57 7.860 47.160 60.661 1.00 71.13 H new ATOM 0 HA GLN A 57 8.456 44.430 60.399 1.00 2.51 H new ATOM 0 HB2 GLN A 57 10.018 46.931 61.055 1.00 22.34 H new ATOM 0 HB3 GLN A 57 10.806 45.368 61.133 1.00 22.34 H new ATOM 0 HG2 GLN A 57 10.357 44.936 58.793 1.00 71.04 H new ATOM 0 HG3 GLN A 57 9.319 46.344 58.673 1.00 71.04 H new ATOM 0 HE21 GLN A 57 12.639 45.637 59.908 1.00 0.31 H new ATOM 0 HE22 GLN A 57 13.418 46.977 59.059 1.00 0.31 H new ATOM 917 N SER A 58 8.365 45.561 63.457 1.00 44.32 N ATOM 918 CA SER A 58 8.411 45.174 64.862 1.00 70.11 C ATOM 919 C SER A 58 7.130 44.450 65.267 1.00 54.33 C ATOM 920 O SER A 58 7.173 43.399 65.907 1.00 5.44 O ATOM 921 CB SER A 58 8.614 46.406 65.745 1.00 74.03 C ATOM 922 OG SER A 58 7.387 47.074 65.982 1.00 23.23 O ATOM 0 H SER A 58 8.014 46.504 63.291 1.00 44.32 H new ATOM 0 HA SER A 58 9.252 44.494 65.000 1.00 70.11 H new ATOM 0 HB2 SER A 58 9.058 46.107 66.695 1.00 74.03 H new ATOM 0 HB3 SER A 58 9.316 47.088 65.266 1.00 74.03 H new ATOM 0 HG SER A 58 7.003 47.366 65.129 1.00 23.23 H new ATOM 928 N THR A 59 5.990 45.020 64.890 1.00 61.15 N ATOM 929 CA THR A 59 4.697 44.431 65.214 1.00 61.14 C ATOM 930 C THR A 59 4.715 42.921 65.011 1.00 13.32 C ATOM 931 O THR A 59 3.917 42.196 65.607 1.00 73.43 O ATOM 932 CB THR A 59 3.572 45.040 64.356 1.00 3.13 C ATOM 933 OG1 THR A 59 3.493 46.452 64.580 1.00 45.31 O ATOM 934 CG2 THR A 59 2.233 44.395 64.681 1.00 53.21 C ATOM 0 H THR A 59 5.936 45.890 64.360 1.00 61.15 H new ATOM 0 HA THR A 59 4.503 44.651 66.264 1.00 61.14 H new ATOM 0 HB THR A 59 3.804 44.851 63.308 1.00 3.13 H new ATOM 0 HG1 THR A 59 2.633 46.670 64.996 1.00 45.31 H new ATOM 0 HG21 THR A 59 1.454 44.842 64.063 1.00 53.21 H new ATOM 0 HG22 THR A 59 2.286 43.325 64.481 1.00 53.21 H new ATOM 0 HG23 THR A 59 1.998 44.556 65.733 1.00 53.21 H new ATOM 942 N ASP A 60 5.628 42.452 64.169 1.00 41.11 N ATOM 943 CA ASP A 60 5.751 41.026 63.890 1.00 12.10 C ATOM 944 C ASP A 60 6.017 40.243 65.171 1.00 0.13 C ATOM 945 O ASP A 60 5.287 39.310 65.504 1.00 34.53 O ATOM 946 CB ASP A 60 6.874 40.776 62.882 1.00 54.33 C ATOM 947 CG ASP A 60 6.385 40.067 61.635 1.00 63.23 C ATOM 948 OD1 ASP A 60 5.820 40.745 60.749 1.00 52.44 O ATOM 949 OD2 ASP A 60 6.568 38.836 61.542 1.00 21.24 O ATOM 0 H ASP A 60 6.295 43.039 63.667 1.00 41.11 H new ATOM 0 HA ASP A 60 4.808 40.682 63.464 1.00 12.10 H new ATOM 0 HB2 ASP A 60 7.325 41.728 62.602 1.00 54.33 H new ATOM 0 HB3 ASP A 60 7.655 40.179 63.353 1.00 54.33 H new ATOM 954 N ALA A 61 7.070 40.627 65.886 1.00 31.14 N ATOM 955 CA ALA A 61 7.432 39.960 67.131 1.00 54.04 C ATOM 956 C ALA A 61 6.224 39.822 68.052 1.00 63.04 C ATOM 957 O ALA A 61 6.033 38.787 68.691 1.00 70.15 O ATOM 958 CB ALA A 61 8.547 40.723 67.832 1.00 4.54 C ATOM 0 H ALA A 61 7.687 41.396 65.624 1.00 31.14 H new ATOM 0 HA ALA A 61 7.787 38.958 66.888 1.00 54.04 H new ATOM 0 HB1 ALA A 61 8.808 40.215 68.760 1.00 4.54 H new ATOM 0 HB2 ALA A 61 9.422 40.766 67.183 1.00 4.54 H new ATOM 0 HB3 ALA A 61 8.211 41.736 68.055 1.00 4.54 H new ATOM 964 N LEU A 62 5.411 40.872 68.115 1.00 43.44 N ATOM 965 CA LEU A 62 4.222 40.868 68.959 1.00 43.01 C ATOM 966 C LEU A 62 3.150 39.947 68.384 1.00 73.21 C ATOM 967 O LEU A 62 2.599 39.103 69.090 1.00 33.23 O ATOM 968 CB LEU A 62 3.669 42.287 69.101 1.00 52.22 C ATOM 969 CG LEU A 62 2.544 42.470 70.121 1.00 24.11 C ATOM 970 CD1 LEU A 62 2.602 43.860 70.736 1.00 62.32 C ATOM 971 CD2 LEU A 62 1.190 42.229 69.471 1.00 25.20 C ATOM 0 H LEU A 62 5.554 41.736 67.592 1.00 43.44 H new ATOM 0 HA LEU A 62 4.506 40.495 69.943 1.00 43.01 H new ATOM 0 HB2 LEU A 62 4.490 42.950 69.373 1.00 52.22 H new ATOM 0 HB3 LEU A 62 3.305 42.613 68.127 1.00 52.22 H new ATOM 0 HG LEU A 62 2.678 41.737 70.916 1.00 24.11 H new ATOM 0 HD11 LEU A 62 1.794 43.972 71.459 1.00 62.32 H new ATOM 0 HD12 LEU A 62 3.560 43.996 71.238 1.00 62.32 H new ATOM 0 HD13 LEU A 62 2.494 44.610 69.952 1.00 62.32 H new ATOM 0 HD21 LEU A 62 0.402 42.364 70.212 1.00 25.20 H new ATOM 0 HD22 LEU A 62 1.047 42.938 68.656 1.00 25.20 H new ATOM 0 HD23 LEU A 62 1.150 41.213 69.079 1.00 25.20 H new ATOM 983 N TYR A 63 2.861 40.116 67.098 1.00 2.44 N ATOM 984 CA TYR A 63 1.856 39.299 66.428 1.00 34.34 C ATOM 985 C TYR A 63 2.201 37.816 66.529 1.00 74.14 C ATOM 986 O TYR A 63 1.320 36.958 66.475 1.00 50.40 O ATOM 987 CB TYR A 63 1.734 39.707 64.959 1.00 40.35 C ATOM 988 CG TYR A 63 1.541 38.538 64.020 1.00 4.32 C ATOM 989 CD1 TYR A 63 2.604 37.709 63.683 1.00 21.11 C ATOM 990 CD2 TYR A 63 0.295 38.262 63.468 1.00 53.43 C ATOM 991 CE1 TYR A 63 2.432 36.640 62.825 1.00 42.24 C ATOM 992 CE2 TYR A 63 0.115 37.194 62.611 1.00 72.21 C ATOM 993 CZ TYR A 63 1.186 36.386 62.292 1.00 73.44 C ATOM 994 OH TYR A 63 1.010 35.323 61.437 1.00 34.22 O ATOM 0 H TYR A 63 3.308 40.811 66.500 1.00 2.44 H new ATOM 0 HA TYR A 63 0.900 39.465 66.925 1.00 34.34 H new ATOM 0 HB2 TYR A 63 0.894 40.393 64.850 1.00 40.35 H new ATOM 0 HB3 TYR A 63 2.631 40.253 64.667 1.00 40.35 H new ATOM 0 HD1 TYR A 63 3.581 37.904 64.099 1.00 21.11 H new ATOM 0 HD2 TYR A 63 -0.546 38.893 63.714 1.00 53.43 H new ATOM 0 HE1 TYR A 63 3.269 36.006 62.573 1.00 42.24 H new ATOM 0 HE2 TYR A 63 -0.860 36.993 62.193 1.00 72.21 H new ATOM 0 HH TYR A 63 0.073 35.284 61.153 1.00 34.22 H new ATOM 1004 N SER A 64 3.489 37.525 66.677 1.00 1.35 N ATOM 1005 CA SER A 64 3.953 36.146 66.782 1.00 61.02 C ATOM 1006 C SER A 64 3.810 35.633 68.212 1.00 3.30 C ATOM 1007 O SER A 64 3.406 34.492 68.437 1.00 52.21 O ATOM 1008 CB SER A 64 5.412 36.041 66.333 1.00 32.23 C ATOM 1009 OG SER A 64 5.538 35.190 65.207 1.00 75.33 O ATOM 0 H SER A 64 4.230 38.225 66.727 1.00 1.35 H new ATOM 0 HA SER A 64 3.335 35.529 66.130 1.00 61.02 H new ATOM 0 HB2 SER A 64 5.793 37.032 66.088 1.00 32.23 H new ATOM 0 HB3 SER A 64 6.021 35.659 67.152 1.00 32.23 H new ATOM 0 HG SER A 64 6.479 35.141 64.938 1.00 75.33 H new ATOM 1015 N HIS A 65 4.147 36.485 69.176 1.00 21.02 N ATOM 1016 CA HIS A 65 4.057 36.120 70.585 1.00 14.45 C ATOM 1017 C HIS A 65 2.644 35.668 70.940 1.00 30.42 C ATOM 1018 O HIS A 65 2.455 34.670 71.637 1.00 43.15 O ATOM 1019 CB HIS A 65 4.464 37.300 71.467 1.00 43.31 C ATOM 1020 CG HIS A 65 4.339 37.023 72.934 1.00 62.43 C ATOM 1021 ND1 HIS A 65 5.424 36.785 73.750 1.00 3.34 N ATOM 1022 CD2 HIS A 65 3.247 36.949 73.730 1.00 75.31 C ATOM 1023 CE1 HIS A 65 5.005 36.575 74.986 1.00 1.15 C ATOM 1024 NE2 HIS A 65 3.688 36.669 75.000 1.00 40.12 N ATOM 0 H HIS A 65 4.485 37.432 69.007 1.00 21.02 H new ATOM 0 HA HIS A 65 4.741 35.290 70.764 1.00 14.45 H new ATOM 0 HB2 HIS A 65 5.496 37.571 71.244 1.00 43.31 H new ATOM 0 HB3 HIS A 65 3.846 38.162 71.214 1.00 43.31 H new ATOM 0 HD1 HIS A 65 6.398 36.773 73.447 1.00 3.34 H new ATOM 0 HD2 HIS A 65 2.220 37.085 73.424 1.00 75.31 H new ATOM 0 HE1 HIS A 65 5.633 36.363 75.839 1.00 1.15 H new ATOM 1032 N LEU A 66 1.652 36.409 70.457 1.00 42.05 N ATOM 1033 CA LEU A 66 0.255 36.086 70.723 1.00 14.43 C ATOM 1034 C LEU A 66 -0.181 34.858 69.930 1.00 54.31 C ATOM 1035 O LEU A 66 -0.600 33.854 70.504 1.00 2.01 O ATOM 1036 CB LEU A 66 -0.640 37.276 70.375 1.00 72.31 C ATOM 1037 CG LEU A 66 -2.073 37.215 70.902 1.00 34.44 C ATOM 1038 CD1 LEU A 66 -2.194 37.975 72.214 1.00 22.01 C ATOM 1039 CD2 LEU A 66 -3.045 37.772 69.871 1.00 23.04 C ATOM 0 H LEU A 66 1.790 37.238 69.879 1.00 42.05 H new ATOM 0 HA LEU A 66 0.156 35.864 71.785 1.00 14.43 H new ATOM 0 HB2 LEU A 66 -0.171 38.182 70.759 1.00 72.31 H new ATOM 0 HB3 LEU A 66 -0.677 37.372 69.290 1.00 72.31 H new ATOM 0 HG LEU A 66 -2.326 36.171 71.086 1.00 34.44 H new ATOM 0 HD11 LEU A 66 -3.222 37.920 72.573 1.00 22.01 H new ATOM 0 HD12 LEU A 66 -1.527 37.532 72.954 1.00 22.01 H new ATOM 0 HD13 LEU A 66 -1.920 39.018 72.057 1.00 22.01 H new ATOM 0 HD21 LEU A 66 -4.061 37.721 70.263 1.00 23.04 H new ATOM 0 HD22 LEU A 66 -2.791 38.810 69.655 1.00 23.04 H new ATOM 0 HD23 LEU A 66 -2.980 37.185 68.955 1.00 23.04 H new ATOM 1051 N GLU A 67 -0.077 34.947 68.608 1.00 23.50 N ATOM 1052 CA GLU A 67 -0.460 33.842 67.737 1.00 41.15 C ATOM 1053 C GLU A 67 0.239 32.551 68.156 1.00 33.02 C ATOM 1054 O GLU A 67 -0.319 31.462 68.030 1.00 61.31 O ATOM 1055 CB GLU A 67 -0.118 34.169 66.281 1.00 34.32 C ATOM 1056 CG GLU A 67 -0.920 33.364 65.272 1.00 14.13 C ATOM 1057 CD GLU A 67 -0.085 32.308 64.574 1.00 2.21 C ATOM 1058 OE1 GLU A 67 0.306 31.325 65.238 1.00 33.42 O ATOM 1059 OE2 GLU A 67 0.178 32.464 63.363 1.00 60.41 O ATOM 0 H GLU A 67 0.269 35.772 68.117 1.00 23.50 H new ATOM 0 HA GLU A 67 -1.537 33.699 67.827 1.00 41.15 H new ATOM 0 HB2 GLU A 67 -0.291 35.231 66.106 1.00 34.32 H new ATOM 0 HB3 GLU A 67 0.944 33.987 66.116 1.00 34.32 H new ATOM 0 HG2 GLU A 67 -1.757 32.884 65.779 1.00 14.13 H new ATOM 0 HG3 GLU A 67 -1.342 34.039 64.528 1.00 14.13 H new ATOM 1066 N ALA A 68 1.463 32.684 68.656 1.00 0.14 N ATOM 1067 CA ALA A 68 2.238 31.530 69.095 1.00 12.43 C ATOM 1068 C ALA A 68 1.860 31.123 70.516 1.00 22.54 C ATOM 1069 O ALA A 68 1.419 29.998 70.752 1.00 61.34 O ATOM 1070 CB ALA A 68 3.727 31.829 69.009 1.00 23.31 C ATOM 0 H ALA A 68 1.939 33.579 68.767 1.00 0.14 H new ATOM 0 HA ALA A 68 2.007 30.696 68.432 1.00 12.43 H new ATOM 0 HB1 ALA A 68 4.293 30.958 69.340 1.00 23.31 H new ATOM 0 HB2 ALA A 68 3.992 32.063 67.978 1.00 23.31 H new ATOM 0 HB3 ALA A 68 3.965 32.680 69.647 1.00 23.31 H new ATOM 1076 N GLN A 69 2.035 32.045 71.457 1.00 64.45 N ATOM 1077 CA GLN A 69 1.714 31.782 72.853 1.00 35.04 C ATOM 1078 C GLN A 69 0.219 31.540 73.031 1.00 34.25 C ATOM 1079 O GLN A 69 -0.196 30.500 73.544 1.00 43.24 O ATOM 1080 CB GLN A 69 2.161 32.951 73.732 1.00 62.42 C ATOM 1081 CG GLN A 69 2.111 32.648 75.220 1.00 12.23 C ATOM 1082 CD GLN A 69 1.294 33.663 75.996 1.00 20.10 C ATOM 1083 OE1 GLN A 69 0.080 33.518 76.143 1.00 70.34 O ATOM 1084 NE2 GLN A 69 1.958 34.700 76.497 1.00 25.14 N ATOM 0 H GLN A 69 2.398 32.981 71.277 1.00 64.45 H new ATOM 0 HA GLN A 69 2.249 30.883 73.158 1.00 35.04 H new ATOM 0 HB2 GLN A 69 3.179 33.230 73.461 1.00 62.42 H new ATOM 0 HB3 GLN A 69 1.528 33.814 73.524 1.00 62.42 H new ATOM 0 HG2 GLN A 69 1.687 31.655 75.371 1.00 12.23 H new ATOM 0 HG3 GLN A 69 3.126 32.625 75.616 1.00 12.23 H new ATOM 0 HE21 GLN A 69 2.964 34.780 76.351 1.00 25.14 H new ATOM 0 HE22 GLN A 69 1.461 35.416 77.028 1.00 25.14 H new ATOM 1093 N TRP A 70 -0.586 32.507 72.607 1.00 25.55 N ATOM 1094 CA TRP A 70 -2.037 32.399 72.719 1.00 74.52 C ATOM 1095 C TRP A 70 -2.529 31.070 72.159 1.00 24.04 C ATOM 1096 O TRP A 70 -3.540 30.532 72.608 1.00 55.25 O ATOM 1097 CB TRP A 70 -2.714 33.558 71.986 1.00 73.14 C ATOM 1098 CG TRP A 70 -4.088 33.864 72.499 1.00 32.21 C ATOM 1099 CD1 TRP A 70 -5.261 33.289 72.096 1.00 43.33 C ATOM 1100 CD2 TRP A 70 -4.435 34.819 73.508 1.00 53.31 C ATOM 1101 NE1 TRP A 70 -6.313 33.829 72.793 1.00 55.30 N ATOM 1102 CE2 TRP A 70 -5.833 34.769 73.667 1.00 15.15 C ATOM 1103 CE3 TRP A 70 -3.700 35.709 74.295 1.00 45.54 C ATOM 1104 CZ2 TRP A 70 -6.508 35.577 74.579 1.00 13.45 C ATOM 1105 CZ3 TRP A 70 -4.370 36.510 75.199 1.00 42.32 C ATOM 1106 CH2 TRP A 70 -5.763 36.439 75.336 1.00 23.50 C ATOM 0 H TRP A 70 -0.259 33.375 72.182 1.00 25.55 H new ATOM 0 HA TRP A 70 -2.299 32.445 73.776 1.00 74.52 H new ATOM 0 HB2 TRP A 70 -2.093 34.449 72.078 1.00 73.14 H new ATOM 0 HB3 TRP A 70 -2.775 33.321 70.924 1.00 73.14 H new ATOM 0 HD1 TRP A 70 -5.347 32.522 71.340 1.00 43.33 H new ATOM 0 HE1 TRP A 70 -7.294 33.572 72.679 1.00 55.30 H new ATOM 0 HE3 TRP A 70 -2.626 35.770 74.198 1.00 45.54 H new ATOM 0 HZ2 TRP A 70 -7.582 35.525 74.685 1.00 13.45 H new ATOM 0 HZ3 TRP A 70 -3.811 37.203 75.811 1.00 42.32 H new ATOM 0 HH2 TRP A 70 -6.258 37.077 76.053 1.00 23.50 H new ATOM 1117 N ALA A 71 -1.808 30.545 71.173 1.00 74.23 N ATOM 1118 CA ALA A 71 -2.171 29.277 70.553 1.00 72.52 C ATOM 1119 C ALA A 71 -2.488 28.221 71.606 1.00 61.31 C ATOM 1120 O ALA A 71 -3.423 27.435 71.450 1.00 53.11 O ATOM 1121 CB ALA A 71 -1.053 28.796 69.640 1.00 61.13 C ATOM 0 H ALA A 71 -0.969 30.979 70.787 1.00 74.23 H new ATOM 0 HA ALA A 71 -3.069 29.438 69.956 1.00 72.52 H new ATOM 0 HB1 ALA A 71 -1.338 27.848 69.184 1.00 61.13 H new ATOM 0 HB2 ALA A 71 -0.877 29.536 68.859 1.00 61.13 H new ATOM 0 HB3 ALA A 71 -0.142 28.659 70.222 1.00 61.13 H new ATOM 1127 N LYS A 72 -1.704 28.208 72.679 1.00 24.24 N ATOM 1128 CA LYS A 72 -1.900 27.248 73.759 1.00 74.22 C ATOM 1129 C LYS A 72 -3.373 27.161 74.147 1.00 74.00 C ATOM 1130 O LYS A 72 -3.861 26.097 74.526 1.00 13.24 O ATOM 1131 CB LYS A 72 -1.063 27.643 74.977 1.00 52.55 C ATOM 1132 CG LYS A 72 0.154 26.760 75.191 1.00 63.54 C ATOM 1133 CD LYS A 72 1.248 27.492 75.950 1.00 41.34 C ATOM 1134 CE LYS A 72 2.350 27.971 75.017 1.00 24.23 C ATOM 1135 NZ LYS A 72 3.553 28.425 75.766 1.00 62.35 N ATOM 0 H LYS A 72 -0.926 28.852 72.824 1.00 24.24 H new ATOM 0 HA LYS A 72 -1.577 26.269 73.406 1.00 74.22 H new ATOM 0 HB2 LYS A 72 -0.736 28.677 74.863 1.00 52.55 H new ATOM 0 HB3 LYS A 72 -1.691 27.604 75.867 1.00 52.55 H new ATOM 0 HG2 LYS A 72 -0.137 25.866 75.742 1.00 63.54 H new ATOM 0 HG3 LYS A 72 0.538 26.429 74.226 1.00 63.54 H new ATOM 0 HD2 LYS A 72 0.819 28.345 76.476 1.00 41.34 H new ATOM 0 HD3 LYS A 72 1.672 26.831 76.706 1.00 41.34 H new ATOM 0 HE2 LYS A 72 2.628 27.164 74.339 1.00 24.23 H new ATOM 0 HE3 LYS A 72 1.975 28.789 74.402 1.00 24.23 H new ATOM 0 HZ1 LYS A 72 4.280 28.743 75.094 1.00 62.35 H new ATOM 0 HZ2 LYS A 72 3.294 29.212 76.395 1.00 62.35 H new ATOM 0 HZ3 LYS A 72 3.927 27.637 76.333 1.00 62.35 H new ATOM 1149 N GLN A 73 -4.074 28.286 74.049 1.00 12.02 N ATOM 1150 CA GLN A 73 -5.491 28.335 74.390 1.00 43.40 C ATOM 1151 C GLN A 73 -6.279 27.300 73.593 1.00 44.41 C ATOM 1152 O GLN A 73 -6.911 26.411 74.164 1.00 45.11 O ATOM 1153 CB GLN A 73 -6.053 29.732 74.128 1.00 62.52 C ATOM 1154 CG GLN A 73 -5.496 30.797 75.060 1.00 40.30 C ATOM 1155 CD GLN A 73 -6.580 31.521 75.833 1.00 24.21 C ATOM 1156 OE1 GLN A 73 -6.788 32.722 75.656 1.00 62.23 O ATOM 1157 NE2 GLN A 73 -7.279 30.794 76.696 1.00 10.43 N ATOM 0 H GLN A 73 -3.684 29.175 73.736 1.00 12.02 H new ATOM 0 HA GLN A 73 -5.591 28.104 75.451 1.00 43.40 H new ATOM 0 HB2 GLN A 73 -5.837 30.014 73.097 1.00 62.52 H new ATOM 0 HB3 GLN A 73 -7.138 29.703 74.230 1.00 62.52 H new ATOM 0 HG2 GLN A 73 -4.803 30.334 75.762 1.00 40.30 H new ATOM 0 HG3 GLN A 73 -4.925 31.521 74.478 1.00 40.30 H new ATOM 0 HE21 GLN A 73 -7.073 29.802 76.811 1.00 10.43 H new ATOM 0 HE22 GLN A 73 -8.022 31.228 77.244 1.00 10.43 H new ATOM 1166 N HIS A 74 -6.236 27.422 72.270 1.00 31.22 N ATOM 1167 CA HIS A 74 -6.946 26.497 71.394 1.00 4.42 C ATOM 1168 C HIS A 74 -6.058 26.058 70.232 1.00 73.51 C ATOM 1169 O HIS A 74 -5.976 24.874 69.913 1.00 4.34 O ATOM 1170 CB HIS A 74 -8.223 27.145 70.858 1.00 51.34 C ATOM 1171 CG HIS A 74 -9.463 26.702 71.571 1.00 24.22 C ATOM 1172 ND1 HIS A 74 -10.261 25.671 71.121 1.00 52.50 N ATOM 1173 CD2 HIS A 74 -10.042 27.155 72.707 1.00 11.20 C ATOM 1174 CE1 HIS A 74 -11.278 25.510 71.950 1.00 42.22 C ATOM 1175 NE2 HIS A 74 -11.168 26.398 72.921 1.00 63.13 N ATOM 0 H HIS A 74 -5.717 28.152 71.781 1.00 31.22 H new ATOM 0 HA HIS A 74 -7.213 25.616 71.978 1.00 4.42 H new ATOM 0 HB2 HIS A 74 -8.133 28.228 70.941 1.00 51.34 H new ATOM 0 HB3 HIS A 74 -8.321 26.913 69.797 1.00 51.34 H new ATOM 0 HD2 HIS A 74 -9.685 27.962 73.330 1.00 11.20 H new ATOM 0 HE1 HIS A 74 -12.065 24.777 71.850 1.00 42.22 H new ATOM 0 HE2 HIS A 74 -11.814 26.505 73.703 1.00 63.13 H new ATOM 1183 N GLY A 75 -5.396 27.025 69.604 1.00 23.11 N ATOM 1184 CA GLY A 75 -4.524 26.719 68.484 1.00 64.15 C ATOM 1185 C GLY A 75 -5.121 27.134 67.154 1.00 2.33 C ATOM 1186 O GLY A 75 -4.398 27.351 66.180 1.00 71.31 O ATOM 0 H GLY A 75 -5.448 28.014 69.850 1.00 23.11 H new ATOM 0 HA2 GLY A 75 -3.568 27.224 68.623 1.00 64.15 H new ATOM 0 HA3 GLY A 75 -4.319 25.648 68.469 1.00 64.15 H new ATOM 1190 N THR A 76 -6.445 27.242 67.109 1.00 72.34 N ATOM 1191 CA THR A 76 -7.140 27.631 65.888 1.00 74.13 C ATOM 1192 C THR A 76 -7.346 29.140 65.830 1.00 62.23 C ATOM 1193 O THR A 76 -7.404 29.742 64.757 1.00 4.01 O ATOM 1194 CB THR A 76 -8.508 26.933 65.774 1.00 2.11 C ATOM 1195 OG1 THR A 76 -8.680 26.406 64.453 1.00 55.40 O ATOM 1196 CG2 THR A 76 -9.638 27.901 66.090 1.00 12.03 C ATOM 0 H THR A 76 -7.058 27.065 67.905 1.00 72.34 H new ATOM 0 HA THR A 76 -6.511 27.320 65.054 1.00 74.13 H new ATOM 0 HB THR A 76 -8.537 26.118 66.497 1.00 2.11 H new ATOM 0 HG1 THR A 76 -9.551 25.962 64.389 1.00 55.40 H new ATOM 0 HG21 THR A 76 -10.594 27.385 66.003 1.00 12.03 H new ATOM 0 HG22 THR A 76 -9.521 28.278 67.106 1.00 12.03 H new ATOM 0 HG23 THR A 76 -9.610 28.734 65.388 1.00 12.03 H new ATOM 1204 N PRO A 77 -7.460 29.769 67.009 1.00 65.05 N ATOM 1205 CA PRO A 77 -7.661 31.218 67.118 1.00 45.55 C ATOM 1206 C PRO A 77 -6.422 32.006 66.705 1.00 62.25 C ATOM 1207 O PRO A 77 -6.504 33.162 66.286 1.00 13.24 O ATOM 1208 CB PRO A 77 -7.954 31.424 68.606 1.00 63.23 C ATOM 1209 CG PRO A 77 -7.300 30.270 69.285 1.00 51.12 C ATOM 1210 CD PRO A 77 -7.400 29.116 68.327 1.00 4.41 C ATOM 0 HA PRO A 77 -8.456 31.571 66.460 1.00 45.55 H new ATOM 0 HB2 PRO A 77 -7.551 32.372 68.961 1.00 63.23 H new ATOM 0 HB3 PRO A 77 -9.027 31.441 68.800 1.00 63.23 H new ATOM 0 HG2 PRO A 77 -6.259 30.494 69.519 1.00 51.12 H new ATOM 0 HG3 PRO A 77 -7.796 30.039 70.227 1.00 51.12 H new ATOM 0 HD2 PRO A 77 -6.539 28.452 68.407 1.00 4.41 H new ATOM 0 HD3 PRO A 77 -8.287 28.512 68.517 1.00 4.41 H new ATOM 1218 N PRO A 78 -5.247 31.371 66.823 1.00 61.10 N ATOM 1219 CA PRO A 78 -3.969 31.995 66.466 1.00 31.34 C ATOM 1220 C PRO A 78 -3.822 32.193 64.961 1.00 72.32 C ATOM 1221 O PRO A 78 -3.292 31.331 64.259 1.00 15.03 O ATOM 1222 CB PRO A 78 -2.931 30.994 66.978 1.00 24.31 C ATOM 1223 CG PRO A 78 -3.640 29.685 66.989 1.00 15.42 C ATOM 1224 CD PRO A 78 -5.075 29.994 67.314 1.00 3.51 C ATOM 0 HA PRO A 78 -3.867 32.992 66.895 1.00 31.34 H new ATOM 0 HB2 PRO A 78 -2.056 30.965 66.329 1.00 24.31 H new ATOM 0 HB3 PRO A 78 -2.580 31.262 67.974 1.00 24.31 H new ATOM 0 HG2 PRO A 78 -3.557 29.188 66.022 1.00 15.42 H new ATOM 0 HG3 PRO A 78 -3.208 29.013 67.731 1.00 15.42 H new ATOM 0 HD2 PRO A 78 -5.757 29.303 66.819 1.00 3.51 H new ATOM 0 HD3 PRO A 78 -5.269 29.922 68.384 1.00 3.51 H new ATOM 1232 N THR A 79 -4.294 33.335 64.470 1.00 55.44 N ATOM 1233 CA THR A 79 -4.215 33.647 63.049 1.00 42.31 C ATOM 1234 C THR A 79 -4.259 35.152 62.812 1.00 0.42 C ATOM 1235 O THR A 79 -4.900 35.889 63.561 1.00 61.44 O ATOM 1236 CB THR A 79 -5.362 32.982 62.264 1.00 63.13 C ATOM 1237 OG1 THR A 79 -5.431 31.588 62.585 1.00 73.42 O ATOM 1238 CG2 THR A 79 -5.162 33.153 60.765 1.00 71.11 C ATOM 0 H THR A 79 -4.735 34.059 65.037 1.00 55.44 H new ATOM 0 HA THR A 79 -3.263 33.254 62.692 1.00 42.31 H new ATOM 0 HB THR A 79 -6.296 33.467 62.548 1.00 63.13 H new ATOM 0 HG1 THR A 79 -6.163 31.173 62.083 1.00 73.42 H new ATOM 0 HG21 THR A 79 -5.984 32.676 60.231 1.00 71.11 H new ATOM 0 HG22 THR A 79 -5.138 34.215 60.520 1.00 71.11 H new ATOM 0 HG23 THR A 79 -4.220 32.691 60.469 1.00 71.11 H new ATOM 1246 N ALA A 80 -3.573 35.603 61.766 1.00 5.45 N ATOM 1247 CA ALA A 80 -3.537 37.020 61.430 1.00 41.25 C ATOM 1248 C ALA A 80 -4.897 37.673 61.653 1.00 42.54 C ATOM 1249 O ALA A 80 -5.005 38.679 62.355 1.00 1.53 O ATOM 1250 CB ALA A 80 -3.088 37.209 59.988 1.00 52.31 C ATOM 0 H ALA A 80 -3.035 35.007 61.137 1.00 5.45 H new ATOM 0 HA ALA A 80 -2.818 37.506 62.090 1.00 41.25 H new ATOM 0 HB1 ALA A 80 -3.066 38.273 59.750 1.00 52.31 H new ATOM 0 HB2 ALA A 80 -2.091 36.787 59.859 1.00 52.31 H new ATOM 0 HB3 ALA A 80 -3.785 36.703 59.320 1.00 52.31 H new ATOM 1256 N SER A 81 -5.930 37.095 61.051 1.00 32.11 N ATOM 1257 CA SER A 81 -7.284 37.624 61.182 1.00 22.00 C ATOM 1258 C SER A 81 -7.610 37.927 62.640 1.00 15.32 C ATOM 1259 O SER A 81 -8.277 38.916 62.946 1.00 61.12 O ATOM 1260 CB SER A 81 -8.299 36.630 60.615 1.00 5.53 C ATOM 1261 OG SER A 81 -8.693 36.994 59.303 1.00 11.42 O ATOM 0 H SER A 81 -5.857 36.261 60.468 1.00 32.11 H new ATOM 0 HA SER A 81 -7.341 38.553 60.615 1.00 22.00 H new ATOM 0 HB2 SER A 81 -7.866 35.630 60.603 1.00 5.53 H new ATOM 0 HB3 SER A 81 -9.175 36.590 61.263 1.00 5.53 H new ATOM 0 HG SER A 81 -9.341 36.342 58.963 1.00 11.42 H new ATOM 1267 N ASP A 82 -7.137 37.069 63.537 1.00 11.21 N ATOM 1268 CA ASP A 82 -7.377 37.244 64.965 1.00 22.45 C ATOM 1269 C ASP A 82 -6.306 38.131 65.591 1.00 65.21 C ATOM 1270 O ASP A 82 -6.597 39.223 66.079 1.00 31.05 O ATOM 1271 CB ASP A 82 -7.407 35.886 65.669 1.00 21.41 C ATOM 1272 CG ASP A 82 -8.818 35.423 65.972 1.00 34.45 C ATOM 1273 OD1 ASP A 82 -9.587 36.210 66.564 1.00 22.05 O ATOM 1274 OD2 ASP A 82 -9.156 34.274 65.618 1.00 1.14 O ATOM 0 H ASP A 82 -6.585 36.245 63.301 1.00 11.21 H new ATOM 0 HA ASP A 82 -8.345 37.730 65.089 1.00 22.45 H new ATOM 0 HB2 ASP A 82 -6.911 35.144 65.043 1.00 21.41 H new ATOM 0 HB3 ASP A 82 -6.841 35.949 66.598 1.00 21.41 H new ATOM 1279 N VAL A 83 -5.065 37.654 65.575 1.00 22.51 N ATOM 1280 CA VAL A 83 -3.951 38.405 66.140 1.00 10.22 C ATOM 1281 C VAL A 83 -4.024 39.877 65.750 1.00 1.44 C ATOM 1282 O VAL A 83 -3.494 40.742 66.447 1.00 53.12 O ATOM 1283 CB VAL A 83 -2.598 37.830 65.682 1.00 43.33 C ATOM 1284 CG1 VAL A 83 -1.448 38.600 66.314 1.00 13.41 C ATOM 1285 CG2 VAL A 83 -2.507 36.349 66.019 1.00 40.44 C ATOM 0 H VAL A 83 -4.806 36.751 65.177 1.00 22.51 H new ATOM 0 HA VAL A 83 -4.028 38.317 67.224 1.00 10.22 H new ATOM 0 HB VAL A 83 -2.525 37.939 64.600 1.00 43.33 H new ATOM 0 HG11 VAL A 83 -0.500 38.179 65.978 1.00 13.41 H new ATOM 0 HG12 VAL A 83 -1.505 39.647 66.018 1.00 13.41 H new ATOM 0 HG13 VAL A 83 -1.514 38.526 67.400 1.00 13.41 H new ATOM 0 HG21 VAL A 83 -1.544 35.959 65.688 1.00 40.44 H new ATOM 0 HG22 VAL A 83 -2.602 36.215 67.096 1.00 40.44 H new ATOM 0 HG23 VAL A 83 -3.309 35.811 65.514 1.00 40.44 H new ATOM 1295 N VAL A 84 -4.684 40.153 64.631 1.00 63.45 N ATOM 1296 CA VAL A 84 -4.829 41.522 64.146 1.00 52.51 C ATOM 1297 C VAL A 84 -5.388 42.432 65.233 1.00 35.33 C ATOM 1298 O VAL A 84 -4.928 43.559 65.411 1.00 34.31 O ATOM 1299 CB VAL A 84 -5.748 41.587 62.913 1.00 54.41 C ATOM 1300 CG1 VAL A 84 -7.193 41.322 63.310 1.00 1.13 C ATOM 1301 CG2 VAL A 84 -5.616 42.935 62.220 1.00 51.43 C ATOM 0 H VAL A 84 -5.127 39.448 64.042 1.00 63.45 H new ATOM 0 HA VAL A 84 -3.834 41.866 63.864 1.00 52.51 H new ATOM 0 HB VAL A 84 -5.440 40.812 62.211 1.00 54.41 H new ATOM 0 HG11 VAL A 84 -7.828 41.372 62.426 1.00 1.13 H new ATOM 0 HG12 VAL A 84 -7.271 40.331 63.758 1.00 1.13 H new ATOM 0 HG13 VAL A 84 -7.516 42.073 64.031 1.00 1.13 H new ATOM 0 HG21 VAL A 84 -6.273 42.963 61.351 1.00 51.43 H new ATOM 0 HG22 VAL A 84 -5.896 43.729 62.912 1.00 51.43 H new ATOM 0 HG23 VAL A 84 -4.584 43.080 61.900 1.00 51.43 H new ATOM 1311 N GLY A 85 -6.385 41.935 65.959 1.00 34.43 N ATOM 1312 CA GLY A 85 -6.992 42.717 67.021 1.00 30.24 C ATOM 1313 C GLY A 85 -7.142 41.930 68.308 1.00 61.30 C ATOM 1314 O GLY A 85 -7.668 42.440 69.296 1.00 50.43 O ATOM 0 H GLY A 85 -6.783 41.005 65.831 1.00 34.43 H new ATOM 0 HA2 GLY A 85 -6.384 43.602 67.209 1.00 30.24 H new ATOM 0 HA3 GLY A 85 -7.972 43.066 66.696 1.00 30.24 H new ATOM 1318 N MET A 86 -6.681 40.684 68.294 1.00 61.01 N ATOM 1319 CA MET A 86 -6.767 39.825 69.470 1.00 0.31 C ATOM 1320 C MET A 86 -5.944 40.395 70.620 1.00 15.34 C ATOM 1321 O MET A 86 -6.400 40.475 71.761 1.00 11.13 O ATOM 1322 CB MET A 86 -6.283 38.413 69.132 1.00 33.13 C ATOM 1323 CG MET A 86 -6.482 37.417 70.264 1.00 44.51 C ATOM 1324 SD MET A 86 -7.278 35.895 69.716 1.00 15.13 S ATOM 1325 CE MET A 86 -5.852 34.901 69.285 1.00 53.42 C ATOM 0 H MET A 86 -6.244 40.247 67.483 1.00 61.01 H new ATOM 0 HA MET A 86 -7.811 39.779 69.781 1.00 0.31 H new ATOM 0 HB2 MET A 86 -6.813 38.057 68.248 1.00 33.13 H new ATOM 0 HB3 MET A 86 -5.225 38.452 68.875 1.00 33.13 H new ATOM 0 HG2 MET A 86 -5.515 37.178 70.707 1.00 44.51 H new ATOM 0 HG3 MET A 86 -7.086 37.877 71.046 1.00 44.51 H new ATOM 0 HE1 MET A 86 -6.088 33.846 69.426 1.00 53.42 H new ATOM 0 HE2 MET A 86 -5.587 35.077 68.242 1.00 53.42 H new ATOM 0 HE3 MET A 86 -5.012 35.174 69.924 1.00 53.42 H new ATOM 1335 N PRO A 87 -4.703 40.801 70.318 1.00 43.52 N ATOM 1336 CA PRO A 87 -3.790 41.371 71.314 1.00 42.00 C ATOM 1337 C PRO A 87 -4.233 42.752 71.782 1.00 74.42 C ATOM 1338 O PRO A 87 -5.232 43.290 71.302 1.00 4.33 O ATOM 1339 CB PRO A 87 -2.458 41.460 70.566 1.00 71.45 C ATOM 1340 CG PRO A 87 -2.837 41.549 69.128 1.00 71.14 C ATOM 1341 CD PRO A 87 -4.092 40.735 68.979 1.00 34.23 C ATOM 0 HA PRO A 87 -3.745 40.766 72.219 1.00 42.00 H new ATOM 0 HB2 PRO A 87 -1.885 42.333 70.879 1.00 71.45 H new ATOM 0 HB3 PRO A 87 -1.837 40.585 70.758 1.00 71.45 H new ATOM 0 HG2 PRO A 87 -3.006 42.584 68.832 1.00 71.14 H new ATOM 0 HG3 PRO A 87 -2.042 41.161 68.490 1.00 71.14 H new ATOM 0 HD2 PRO A 87 -4.751 41.149 68.216 1.00 34.23 H new ATOM 0 HD3 PRO A 87 -3.872 39.708 68.688 1.00 34.23 H new ATOM 1349 N GLN A 88 -3.484 43.323 72.720 1.00 12.10 N ATOM 1350 CA GLN A 88 -3.800 44.643 73.251 1.00 75.31 C ATOM 1351 C GLN A 88 -3.249 45.741 72.347 1.00 11.11 C ATOM 1352 O GLN A 88 -3.833 46.819 72.237 1.00 3.13 O ATOM 1353 CB GLN A 88 -3.234 44.797 74.664 1.00 22.41 C ATOM 1354 CG GLN A 88 -1.724 44.638 74.734 1.00 14.44 C ATOM 1355 CD GLN A 88 -1.291 43.637 75.788 1.00 24.21 C ATOM 1356 OE1 GLN A 88 -1.805 43.634 76.906 1.00 32.25 O ATOM 1357 NE2 GLN A 88 -0.340 42.779 75.434 1.00 74.01 N ATOM 0 H GLN A 88 -2.654 42.892 73.128 1.00 12.10 H new ATOM 0 HA GLN A 88 -4.885 44.740 73.289 1.00 75.31 H new ATOM 0 HB2 GLN A 88 -3.506 45.779 75.051 1.00 22.41 H new ATOM 0 HB3 GLN A 88 -3.700 44.058 75.316 1.00 22.41 H new ATOM 0 HG2 GLN A 88 -1.350 44.320 73.761 1.00 14.44 H new ATOM 0 HG3 GLN A 88 -1.270 45.605 74.949 1.00 14.44 H new ATOM 0 HE21 GLN A 88 0.058 42.818 74.496 1.00 74.01 H new ATOM 0 HE22 GLN A 88 -0.008 42.082 76.101 1.00 74.01 H new ATOM 1366 N TRP A 89 -2.122 45.460 71.704 1.00 35.44 N ATOM 1367 CA TRP A 89 -1.493 46.424 70.810 1.00 44.55 C ATOM 1368 C TRP A 89 -2.531 47.110 69.930 1.00 42.12 C ATOM 1369 O TRP A 89 -2.496 48.327 69.749 1.00 22.05 O ATOM 1370 CB TRP A 89 -0.444 45.732 69.937 1.00 42.12 C ATOM 1371 CG TRP A 89 -0.989 45.237 68.632 1.00 21.23 C ATOM 1372 CD1 TRP A 89 -1.196 43.937 68.271 1.00 23.44 C ATOM 1373 CD2 TRP A 89 -1.396 46.036 67.515 1.00 54.21 C ATOM 1374 NE1 TRP A 89 -1.707 43.878 66.996 1.00 71.41 N ATOM 1375 CE2 TRP A 89 -1.840 45.153 66.512 1.00 22.32 C ATOM 1376 CE3 TRP A 89 -1.431 47.410 67.267 1.00 31.10 C ATOM 1377 CZ2 TRP A 89 -2.311 45.602 65.280 1.00 50.54 C ATOM 1378 CZ3 TRP A 89 -1.897 47.855 66.044 1.00 20.44 C ATOM 1379 CH2 TRP A 89 -2.333 46.953 65.064 1.00 62.40 C ATOM 0 H TRP A 89 -1.625 44.573 71.785 1.00 35.44 H new ATOM 0 HA TRP A 89 -1.005 47.183 71.421 1.00 44.55 H new ATOM 0 HB2 TRP A 89 0.371 46.428 69.741 1.00 42.12 H new ATOM 0 HB3 TRP A 89 -0.021 44.892 70.488 1.00 42.12 H new ATOM 0 HD1 TRP A 89 -0.989 43.080 68.895 1.00 23.44 H new ATOM 0 HE1 TRP A 89 -1.948 43.024 66.492 1.00 71.41 H new ATOM 0 HE3 TRP A 89 -1.100 48.112 68.018 1.00 31.10 H new ATOM 0 HZ2 TRP A 89 -2.647 44.909 64.523 1.00 50.54 H new ATOM 0 HZ3 TRP A 89 -1.926 48.915 65.840 1.00 20.44 H new ATOM 0 HH2 TRP A 89 -2.694 47.332 64.119 1.00 62.40 H new ATOM 1390 N GLN A 90 -3.453 46.322 69.386 1.00 71.31 N ATOM 1391 CA GLN A 90 -4.501 46.856 68.524 1.00 61.50 C ATOM 1392 C GLN A 90 -5.210 48.029 69.192 1.00 52.31 C ATOM 1393 O GLN A 90 -5.278 49.124 68.634 1.00 12.15 O ATOM 1394 CB GLN A 90 -5.513 45.763 68.179 1.00 3.24 C ATOM 1395 CG GLN A 90 -6.746 46.281 67.456 1.00 3.23 C ATOM 1396 CD GLN A 90 -6.401 47.158 66.268 1.00 11.53 C ATOM 1397 OE1 GLN A 90 -5.318 47.044 65.693 1.00 73.20 O ATOM 1398 NE2 GLN A 90 -7.321 48.038 65.895 1.00 21.41 N ATOM 0 H GLN A 90 -3.496 45.313 69.527 1.00 71.31 H new ATOM 0 HA GLN A 90 -4.034 47.212 67.606 1.00 61.50 H new ATOM 0 HB2 GLN A 90 -5.026 45.012 67.557 1.00 3.24 H new ATOM 0 HB3 GLN A 90 -5.823 45.264 69.097 1.00 3.24 H new ATOM 0 HG2 GLN A 90 -7.345 45.436 67.117 1.00 3.23 H new ATOM 0 HG3 GLN A 90 -7.361 46.848 68.155 1.00 3.23 H new ATOM 0 HE21 GLN A 90 -8.205 48.097 66.401 1.00 21.41 H new ATOM 0 HE22 GLN A 90 -7.145 48.655 65.102 1.00 21.41 H new ATOM 1407 N GLU A 91 -5.737 47.792 70.389 1.00 12.21 N ATOM 1408 CA GLU A 91 -6.442 48.829 71.133 1.00 64.34 C ATOM 1409 C GLU A 91 -5.476 49.912 71.605 1.00 53.35 C ATOM 1410 O GLU A 91 -5.682 51.098 71.348 1.00 54.05 O ATOM 1411 CB GLU A 91 -7.172 48.223 72.333 1.00 5.42 C ATOM 1412 CG GLU A 91 -8.680 48.396 72.279 1.00 61.31 C ATOM 1413 CD GLU A 91 -9.415 47.077 72.144 1.00 54.52 C ATOM 1414 OE1 GLU A 91 -9.685 46.439 73.184 1.00 63.15 O ATOM 1415 OE2 GLU A 91 -9.721 46.681 71.000 1.00 42.11 O ATOM 0 H GLU A 91 -5.689 46.891 70.864 1.00 12.21 H new ATOM 0 HA GLU A 91 -7.174 49.284 70.465 1.00 64.34 H new ATOM 0 HB2 GLU A 91 -6.939 47.160 72.390 1.00 5.42 H new ATOM 0 HB3 GLU A 91 -6.795 48.682 73.247 1.00 5.42 H new ATOM 0 HG2 GLU A 91 -9.016 48.904 73.183 1.00 61.31 H new ATOM 0 HG3 GLU A 91 -8.938 49.039 71.438 1.00 61.31 H new ATOM 1422 N TYR A 92 -4.422 49.495 72.298 1.00 11.32 N ATOM 1423 CA TYR A 92 -3.425 50.427 72.810 1.00 54.42 C ATOM 1424 C TYR A 92 -2.996 51.413 71.728 1.00 51.41 C ATOM 1425 O TYR A 92 -3.178 52.623 71.865 1.00 51.44 O ATOM 1426 CB TYR A 92 -2.206 49.666 73.335 1.00 15.13 C ATOM 1427 CG TYR A 92 -2.241 49.426 74.828 1.00 10.41 C ATOM 1428 CD1 TYR A 92 -3.141 48.526 75.386 1.00 22.44 C ATOM 1429 CD2 TYR A 92 -1.373 50.097 75.680 1.00 55.23 C ATOM 1430 CE1 TYR A 92 -3.177 48.303 76.749 1.00 62.04 C ATOM 1431 CE2 TYR A 92 -1.401 49.879 77.044 1.00 51.43 C ATOM 1432 CZ TYR A 92 -2.304 48.982 77.573 1.00 33.11 C ATOM 1433 OH TYR A 92 -2.335 48.763 78.931 1.00 14.24 O ATOM 0 H TYR A 92 -4.236 48.517 72.518 1.00 11.32 H new ATOM 0 HA TYR A 92 -3.875 50.987 73.630 1.00 54.42 H new ATOM 0 HB2 TYR A 92 -2.138 48.706 72.822 1.00 15.13 H new ATOM 0 HB3 TYR A 92 -1.304 50.225 73.086 1.00 15.13 H new ATOM 0 HD1 TYR A 92 -3.824 47.991 74.743 1.00 22.44 H new ATOM 0 HD2 TYR A 92 -0.664 50.801 75.269 1.00 55.23 H new ATOM 0 HE1 TYR A 92 -3.884 47.602 77.166 1.00 62.04 H new ATOM 0 HE2 TYR A 92 -0.719 50.409 77.692 1.00 51.43 H new ATOM 0 HH TYR A 92 -1.656 49.318 79.368 1.00 14.24 H new ATOM 1443 N THR A 93 -2.423 50.886 70.650 1.00 30.21 N ATOM 1444 CA THR A 93 -1.966 51.718 69.544 1.00 23.11 C ATOM 1445 C THR A 93 -3.009 52.766 69.176 1.00 34.42 C ATOM 1446 O THR A 93 -2.682 53.813 68.618 1.00 32.45 O ATOM 1447 CB THR A 93 -1.646 50.870 68.298 1.00 71.14 C ATOM 1448 OG1 THR A 93 -0.939 51.660 67.336 1.00 33.23 O ATOM 1449 CG2 THR A 93 -2.920 50.322 67.675 1.00 73.31 C ATOM 0 H THR A 93 -2.265 49.887 70.520 1.00 30.21 H new ATOM 0 HA THR A 93 -1.057 52.217 69.879 1.00 23.11 H new ATOM 0 HB THR A 93 -1.022 50.031 68.607 1.00 71.14 H new ATOM 0 HG1 THR A 93 -0.118 51.195 67.071 1.00 33.23 H new ATOM 0 HG21 THR A 93 -2.669 49.727 66.797 1.00 73.31 H new ATOM 0 HG22 THR A 93 -3.440 49.697 68.401 1.00 73.31 H new ATOM 0 HG23 THR A 93 -3.566 51.149 67.380 1.00 73.31 H new ATOM 1457 N ALA A 94 -4.268 52.479 69.495 1.00 42.20 N ATOM 1458 CA ALA A 94 -5.360 53.399 69.201 1.00 63.21 C ATOM 1459 C ALA A 94 -5.444 54.504 70.247 1.00 42.15 C ATOM 1460 O ALA A 94 -5.548 55.683 69.912 1.00 70.01 O ATOM 1461 CB ALA A 94 -6.678 52.644 69.118 1.00 55.54 C ATOM 0 H ALA A 94 -4.556 51.617 69.957 1.00 42.20 H new ATOM 0 HA ALA A 94 -5.160 53.865 68.236 1.00 63.21 H new ATOM 0 HB1 ALA A 94 -7.485 53.343 68.898 1.00 55.54 H new ATOM 0 HB2 ALA A 94 -6.620 51.896 68.327 1.00 55.54 H new ATOM 0 HB3 ALA A 94 -6.875 52.150 70.070 1.00 55.54 H new ATOM 1467 N MET A 95 -5.399 54.115 71.517 1.00 1.54 N ATOM 1468 CA MET A 95 -5.471 55.073 72.613 1.00 40.52 C ATOM 1469 C MET A 95 -4.380 56.131 72.481 1.00 53.24 C ATOM 1470 O MET A 95 -4.500 57.232 73.021 1.00 21.20 O ATOM 1471 CB MET A 95 -5.340 54.355 73.957 1.00 11.42 C ATOM 1472 CG MET A 95 -6.600 54.419 74.806 1.00 43.45 C ATOM 1473 SD MET A 95 -7.029 52.826 75.533 1.00 13.11 S ATOM 1474 CE MET A 95 -7.120 53.259 77.268 1.00 51.34 C ATOM 0 H MET A 95 -5.313 53.142 71.812 1.00 1.54 H new ATOM 0 HA MET A 95 -6.441 55.567 72.567 1.00 40.52 H new ATOM 0 HB2 MET A 95 -5.085 53.310 73.778 1.00 11.42 H new ATOM 0 HB3 MET A 95 -4.513 54.794 74.515 1.00 11.42 H new ATOM 0 HG2 MET A 95 -6.461 55.151 75.601 1.00 43.45 H new ATOM 0 HG3 MET A 95 -7.430 54.769 74.192 1.00 43.45 H new ATOM 0 HE1 MET A 95 -7.377 52.375 77.851 1.00 51.34 H new ATOM 0 HE2 MET A 95 -6.155 53.643 77.598 1.00 51.34 H new ATOM 0 HE3 MET A 95 -7.883 54.024 77.413 1.00 51.34 H new ATOM 1484 N LEU A 96 -3.316 55.792 71.762 1.00 2.23 N ATOM 1485 CA LEU A 96 -2.203 56.713 71.559 1.00 54.02 C ATOM 1486 C LEU A 96 -2.628 57.900 70.702 1.00 23.22 C ATOM 1487 O LEU A 96 -2.572 59.049 71.141 1.00 52.53 O ATOM 1488 CB LEU A 96 -1.029 55.988 70.900 1.00 52.54 C ATOM 1489 CG LEU A 96 -0.646 54.639 71.510 1.00 13.53 C ATOM 1490 CD1 LEU A 96 0.618 54.098 70.859 1.00 54.41 C ATOM 1491 CD2 LEU A 96 -0.461 54.766 73.015 1.00 43.34 C ATOM 0 H LEU A 96 -3.200 54.885 71.309 1.00 2.23 H new ATOM 0 HA LEU A 96 -1.890 57.086 72.534 1.00 54.02 H new ATOM 0 HB2 LEU A 96 -1.268 55.834 69.848 1.00 52.54 H new ATOM 0 HB3 LEU A 96 -0.157 56.641 70.937 1.00 52.54 H new ATOM 0 HG LEU A 96 -1.457 53.935 71.323 1.00 13.53 H new ATOM 0 HD11 LEU A 96 0.875 53.138 71.306 1.00 54.41 H new ATOM 0 HD12 LEU A 96 0.449 53.967 69.790 1.00 54.41 H new ATOM 0 HD13 LEU A 96 1.437 54.801 71.014 1.00 54.41 H new ATOM 0 HD21 LEU A 96 -0.189 53.796 73.431 1.00 43.34 H new ATOM 0 HD22 LEU A 96 0.330 55.486 73.225 1.00 43.34 H new ATOM 0 HD23 LEU A 96 -1.392 55.107 73.468 1.00 43.34 H new ATOM 1503 N ARG A 97 -3.056 57.614 69.476 1.00 62.22 N ATOM 1504 CA ARG A 97 -3.491 58.659 68.556 1.00 35.44 C ATOM 1505 C ARG A 97 -4.854 59.212 68.968 1.00 3.50 C ATOM 1506 O ARG A 97 -5.181 60.360 68.674 1.00 71.50 O ATOM 1507 CB ARG A 97 -3.562 58.114 67.129 1.00 2.42 C ATOM 1508 CG ARG A 97 -4.362 56.828 67.006 1.00 25.23 C ATOM 1509 CD ARG A 97 -3.526 55.705 66.414 1.00 45.53 C ATOM 1510 NE ARG A 97 -3.252 55.915 64.995 1.00 71.21 N ATOM 1511 CZ ARG A 97 -2.479 55.115 64.268 1.00 70.04 C ATOM 1512 NH1 ARG A 97 -1.906 54.058 64.825 1.00 23.44 N ATOM 1513 NH2 ARG A 97 -2.279 55.374 62.982 1.00 12.41 N ATOM 0 H ARG A 97 -3.111 56.669 69.097 1.00 62.22 H new ATOM 0 HA ARG A 97 -2.762 59.468 68.593 1.00 35.44 H new ATOM 0 HB2 ARG A 97 -4.006 58.871 66.482 1.00 2.42 H new ATOM 0 HB3 ARG A 97 -2.549 57.938 66.766 1.00 2.42 H new ATOM 0 HG2 ARG A 97 -4.728 56.531 67.989 1.00 25.23 H new ATOM 0 HG3 ARG A 97 -5.237 57.001 66.379 1.00 25.23 H new ATOM 0 HD2 ARG A 97 -2.584 55.629 66.958 1.00 45.53 H new ATOM 0 HD3 ARG A 97 -4.047 54.757 66.546 1.00 45.53 H new ATOM 0 HE ARG A 97 -3.678 56.721 64.536 1.00 71.21 H new ATOM 0 HH11 ARG A 97 -2.058 53.857 65.813 1.00 23.44 H new ATOM 0 HH12 ARG A 97 -1.313 53.445 64.265 1.00 23.44 H new ATOM 0 HH21 ARG A 97 -2.719 56.187 62.551 1.00 12.41 H new ATOM 0 HH22 ARG A 97 -1.686 54.760 62.424 1.00 12.41 H new ATOM 1527 N GLU A 98 -5.640 58.386 69.650 1.00 13.12 N ATOM 1528 CA GLU A 98 -6.966 58.793 70.100 1.00 31.11 C ATOM 1529 C GLU A 98 -6.875 59.633 71.371 1.00 71.22 C ATOM 1530 O GLU A 98 -7.384 60.753 71.425 1.00 52.21 O ATOM 1531 CB GLU A 98 -7.844 57.565 70.350 1.00 64.12 C ATOM 1532 CG GLU A 98 -9.232 57.904 70.867 1.00 24.34 C ATOM 1533 CD GLU A 98 -10.326 57.142 70.143 1.00 21.42 C ATOM 1534 OE1 GLU A 98 -10.283 57.084 68.897 1.00 21.25 O ATOM 1535 OE2 GLU A 98 -11.224 56.605 70.825 1.00 62.41 O ATOM 0 H GLU A 98 -5.382 57.432 69.903 1.00 13.12 H new ATOM 0 HA GLU A 98 -7.417 59.400 69.315 1.00 31.11 H new ATOM 0 HB2 GLU A 98 -7.939 57.002 69.422 1.00 64.12 H new ATOM 0 HB3 GLU A 98 -7.347 56.914 71.069 1.00 64.12 H new ATOM 0 HG2 GLU A 98 -9.283 57.681 71.933 1.00 24.34 H new ATOM 0 HG3 GLU A 98 -9.406 58.974 70.756 1.00 24.34 H new ATOM 1542 N ARG A 99 -6.224 59.083 72.391 1.00 31.11 N ATOM 1543 CA ARG A 99 -6.068 59.780 73.662 1.00 51.35 C ATOM 1544 C ARG A 99 -4.911 60.774 73.599 1.00 20.21 C ATOM 1545 O ARG A 99 -5.084 61.962 73.872 1.00 70.12 O ATOM 1546 CB ARG A 99 -5.831 58.777 74.792 1.00 53.32 C ATOM 1547 CG ARG A 99 -6.213 59.305 76.166 1.00 44.21 C ATOM 1548 CD ARG A 99 -7.722 59.334 76.351 1.00 23.12 C ATOM 1549 NE ARG A 99 -8.108 59.986 77.599 1.00 0.02 N ATOM 1550 CZ ARG A 99 -7.960 59.429 78.796 1.00 42.54 C ATOM 1551 NH1 ARG A 99 -7.436 58.216 78.906 1.00 75.01 N ATOM 1552 NH2 ARG A 99 -8.334 60.086 79.887 1.00 24.33 N ATOM 0 H ARG A 99 -5.796 58.157 72.362 1.00 31.11 H new ATOM 0 HA ARG A 99 -6.987 60.331 73.861 1.00 51.35 H new ATOM 0 HB2 ARG A 99 -6.403 57.871 74.588 1.00 53.32 H new ATOM 0 HB3 ARG A 99 -4.778 58.494 74.801 1.00 53.32 H new ATOM 0 HG2 ARG A 99 -5.763 58.678 76.936 1.00 44.21 H new ATOM 0 HG3 ARG A 99 -5.810 60.309 76.296 1.00 44.21 H new ATOM 0 HD2 ARG A 99 -8.180 59.858 75.512 1.00 23.12 H new ATOM 0 HD3 ARG A 99 -8.108 58.315 76.340 1.00 23.12 H new ATOM 0 HE ARG A 99 -8.514 60.921 77.549 1.00 0.02 H new ATOM 0 HH11 ARG A 99 -7.145 57.708 78.070 1.00 75.01 H new ATOM 0 HH12 ARG A 99 -7.323 57.791 79.826 1.00 75.01 H new ATOM 0 HH21 ARG A 99 -8.736 61.020 79.807 1.00 24.33 H new ATOM 0 HH22 ARG A 99 -8.220 59.657 80.805 1.00 24.33 H new ATOM 1566 N PHE A 100 -3.732 60.279 73.237 1.00 61.23 N ATOM 1567 CA PHE A 100 -2.547 61.122 73.139 1.00 63.14 C ATOM 1568 C PHE A 100 -2.410 62.013 74.370 1.00 43.10 C ATOM 1569 O PHE A 100 -1.949 63.151 74.278 1.00 32.14 O ATOM 1570 CB PHE A 100 -2.611 61.985 71.876 1.00 1.35 C ATOM 1571 CG PHE A 100 -3.808 62.890 71.830 1.00 25.45 C ATOM 1572 CD1 PHE A 100 -5.010 62.446 71.302 1.00 21.12 C ATOM 1573 CD2 PHE A 100 -3.732 64.187 72.313 1.00 13.54 C ATOM 1574 CE1 PHE A 100 -6.113 63.276 71.257 1.00 30.43 C ATOM 1575 CE2 PHE A 100 -4.833 65.021 72.272 1.00 51.24 C ATOM 1576 CZ PHE A 100 -6.025 64.566 71.742 1.00 52.14 C ATOM 0 H PHE A 100 -3.572 59.298 73.007 1.00 61.23 H new ATOM 0 HA PHE A 100 -1.674 60.472 73.083 1.00 63.14 H new ATOM 0 HB2 PHE A 100 -1.706 62.589 71.812 1.00 1.35 H new ATOM 0 HB3 PHE A 100 -2.623 61.335 71.001 1.00 1.35 H new ATOM 0 HD1 PHE A 100 -5.085 61.438 70.921 1.00 21.12 H new ATOM 0 HD2 PHE A 100 -2.802 64.550 72.726 1.00 13.54 H new ATOM 0 HE1 PHE A 100 -7.043 62.917 70.843 1.00 30.43 H new ATOM 0 HE2 PHE A 100 -4.762 66.029 72.654 1.00 51.24 H new ATOM 0 HZ PHE A 100 -6.886 65.217 71.707 1.00 52.14 H new ATOM 1586 N ALA A 101 -2.811 61.486 75.522 1.00 34.43 N ATOM 1587 CA ALA A 101 -2.733 62.232 76.772 1.00 31.44 C ATOM 1588 C ALA A 101 -1.468 63.082 76.825 1.00 30.42 C ATOM 1589 O ALA A 101 -1.533 64.310 76.801 1.00 22.13 O ATOM 1590 CB ALA A 101 -2.782 61.279 77.958 1.00 63.42 C ATOM 0 H ALA A 101 -3.193 60.545 75.616 1.00 34.43 H new ATOM 0 HA ALA A 101 -3.591 62.902 76.822 1.00 31.44 H new ATOM 0 HB1 ALA A 101 -2.723 61.849 78.885 1.00 63.42 H new ATOM 0 HB2 ALA A 101 -3.716 60.718 77.936 1.00 63.42 H new ATOM 0 HB3 ALA A 101 -1.942 60.587 77.903 1.00 63.42 H new ATOM 1596 N GLY A 102 -0.318 62.419 76.900 1.00 62.42 N ATOM 1597 CA GLY A 102 0.945 63.131 76.955 1.00 53.32 C ATOM 1598 C GLY A 102 2.118 62.265 76.539 1.00 51.03 C ATOM 1599 O GLY A 102 3.210 62.373 77.098 1.00 72.24 O ATOM 0 H GLY A 102 -0.239 61.402 76.924 1.00 62.42 H new ATOM 0 HA2 GLY A 102 0.894 64.005 76.306 1.00 53.32 H new ATOM 0 HA3 GLY A 102 1.109 63.496 77.969 1.00 53.32 H new ATOM 1603 N LEU A 103 1.893 61.402 75.554 1.00 62.11 N ATOM 1604 CA LEU A 103 2.939 60.512 75.063 1.00 14.00 C ATOM 1605 C LEU A 103 3.740 61.176 73.947 1.00 55.50 C ATOM 1606 O LEU A 103 4.899 60.834 73.713 1.00 20.13 O ATOM 1607 CB LEU A 103 2.327 59.204 74.558 1.00 44.54 C ATOM 1608 CG LEU A 103 1.277 59.336 73.456 1.00 5.20 C ATOM 1609 CD1 LEU A 103 1.939 59.356 72.087 1.00 41.24 C ATOM 1610 CD2 LEU A 103 0.266 58.201 73.543 1.00 41.23 C ATOM 0 H LEU A 103 0.996 61.300 75.080 1.00 62.11 H new ATOM 0 HA LEU A 103 3.615 60.295 75.890 1.00 14.00 H new ATOM 0 HB2 LEU A 103 3.132 58.568 74.191 1.00 44.54 H new ATOM 0 HB3 LEU A 103 1.874 58.688 75.404 1.00 44.54 H new ATOM 0 HG LEU A 103 0.749 60.279 73.596 1.00 5.20 H new ATOM 0 HD11 LEU A 103 1.175 59.451 71.315 1.00 41.24 H new ATOM 0 HD12 LEU A 103 2.623 60.202 72.026 1.00 41.24 H new ATOM 0 HD13 LEU A 103 2.493 58.430 71.937 1.00 41.24 H new ATOM 0 HD21 LEU A 103 -0.474 58.311 72.750 1.00 41.23 H new ATOM 0 HD22 LEU A 103 0.780 57.246 73.429 1.00 41.23 H new ATOM 0 HD23 LEU A 103 -0.233 58.231 74.512 1.00 41.23 H new