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 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 151:sc= -3.9 (180deg=-5.63!) USER MOD Single : A 38 GLN : amide:sc=-0.00515 X(o=-0.0051,f=-0.31) USER MOD Single : A 39 ASN : amide:sc= -1.51 K(o=-1.5,f=-4.5!) USER MOD Single : A 44 HIS : no HD1:sc= -0.288 K(o=-0.29,f=-0.89) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.053 USER MOD Single : A 56 GLN : amide:sc= -0.0838 X(o=-0.084,f=0.27) USER MOD Single : A 57 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.044) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -66:sc= 0.0336! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.11) USER MOD Single : A 69 GLN : amide:sc= -0.914 K(o=-0.91,f=-0.36) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.223 K(o=-0.22,f=-2.3!) USER MOD Single : A 74 HIS : no HD1:sc= -0.445 K(o=-0.44,f=0.11) USER MOD Single : A 76 THR OG1 : rot 180:sc= -3.17! USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 165:sc= -0.907 (180deg=-1.55) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 90 GLN : amide:sc= -0.646 K(o=-0.65,f=-3.6!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 248 N LYS A 17 15.138 47.106 70.869 1.00 34.22 N ATOM 249 CA LYS A 17 15.078 45.922 70.020 1.00 54.54 C ATOM 250 C LYS A 17 13.654 45.672 69.535 1.00 43.14 C ATOM 251 O LYS A 17 12.729 46.400 69.894 1.00 14.44 O ATOM 252 CB LYS A 17 15.591 44.698 70.782 1.00 22.03 C ATOM 253 CG LYS A 17 16.946 44.911 71.435 1.00 14.35 C ATOM 254 CD LYS A 17 17.025 44.228 72.790 1.00 11.44 C ATOM 255 CE LYS A 17 18.441 44.255 73.346 1.00 54.52 C ATOM 256 NZ LYS A 17 18.987 42.884 73.542 1.00 14.14 N ATOM 0 HA LYS A 17 15.713 46.095 69.151 1.00 54.54 H new ATOM 0 HB2 LYS A 17 14.866 44.428 71.550 1.00 22.03 H new ATOM 0 HB3 LYS A 17 15.657 43.854 70.095 1.00 22.03 H new ATOM 0 HG2 LYS A 17 17.730 44.523 70.784 1.00 14.35 H new ATOM 0 HG3 LYS A 17 17.130 45.979 71.553 1.00 14.35 H new ATOM 0 HD2 LYS A 17 16.349 44.723 73.488 1.00 11.44 H new ATOM 0 HD3 LYS A 17 16.689 43.195 72.698 1.00 11.44 H new ATOM 0 HE2 LYS A 17 19.088 44.809 72.666 1.00 54.52 H new ATOM 0 HE3 LYS A 17 18.447 44.788 74.297 1.00 54.52 H new ATOM 0 HZ1 LYS A 17 19.953 42.946 73.922 1.00 14.14 H new ATOM 0 HZ2 LYS A 17 18.385 42.363 74.211 1.00 14.14 H new ATOM 0 HZ3 LYS A 17 19.005 42.384 72.630 1.00 14.14 H new ATOM 270 N TRP A 18 13.486 44.638 68.717 1.00 75.10 N ATOM 271 CA TRP A 18 12.174 44.292 68.183 1.00 15.34 C ATOM 272 C TRP A 18 11.165 44.090 69.308 1.00 2.50 C ATOM 273 O TRP A 18 11.541 43.883 70.463 1.00 40.42 O ATOM 274 CB TRP A 18 12.266 43.027 67.330 1.00 24.15 C ATOM 275 CG TRP A 18 13.546 42.923 66.557 1.00 10.42 C ATOM 276 CD1 TRP A 18 14.223 43.944 65.953 1.00 44.54 C ATOM 277 CD2 TRP A 18 14.300 41.733 66.304 1.00 20.43 C ATOM 278 NE1 TRP A 18 15.354 43.459 65.339 1.00 14.32 N ATOM 279 CE2 TRP A 18 15.424 42.106 65.541 1.00 0.14 C ATOM 280 CE3 TRP A 18 14.137 40.388 66.649 1.00 34.12 C ATOM 281 CZ2 TRP A 18 16.376 41.182 65.118 1.00 75.23 C ATOM 282 CZ3 TRP A 18 15.083 39.473 66.228 1.00 33.20 C ATOM 283 CH2 TRP A 18 16.191 39.873 65.470 1.00 1.13 C ATOM 0 H TRP A 18 14.242 44.026 68.410 1.00 75.10 H new ATOM 0 HA TRP A 18 11.833 45.118 67.559 1.00 15.34 H new ATOM 0 HB2 TRP A 18 12.168 42.154 67.976 1.00 24.15 H new ATOM 0 HB3 TRP A 18 11.427 43.005 66.634 1.00 24.15 H new ATOM 0 HD1 TRP A 18 13.916 44.979 65.957 1.00 44.54 H new ATOM 0 HE1 TRP A 18 16.031 44.016 64.818 1.00 14.32 H new ATOM 0 HE3 TRP A 18 13.287 40.070 67.234 1.00 34.12 H new ATOM 0 HZ2 TRP A 18 17.230 41.488 64.533 1.00 75.23 H new ATOM 0 HZ3 TRP A 18 14.966 38.431 66.488 1.00 33.20 H new ATOM 0 HH2 TRP A 18 16.913 39.134 65.157 1.00 1.13 H new ATOM 294 N LEU A 19 9.883 44.149 68.966 1.00 23.30 N ATOM 295 CA LEU A 19 8.819 43.971 69.948 1.00 43.32 C ATOM 296 C LEU A 19 9.102 42.770 70.845 1.00 11.34 C ATOM 297 O LEU A 19 8.757 42.771 72.027 1.00 41.45 O ATOM 298 CB LEU A 19 7.473 43.790 69.243 1.00 53.25 C ATOM 299 CG LEU A 19 6.543 45.004 69.253 1.00 2.34 C ATOM 300 CD1 LEU A 19 6.020 45.265 70.658 1.00 42.34 C ATOM 301 CD2 LEU A 19 7.261 46.231 68.711 1.00 13.41 C ATOM 0 H LEU A 19 9.555 44.319 68.015 1.00 23.30 H new ATOM 0 HA LEU A 19 8.779 44.865 70.571 1.00 43.32 H new ATOM 0 HB2 LEU A 19 7.663 43.511 68.207 1.00 53.25 H new ATOM 0 HB3 LEU A 19 6.951 42.954 69.708 1.00 53.25 H new ATOM 0 HG LEU A 19 5.692 44.791 68.605 1.00 2.34 H new ATOM 0 HD11 LEU A 19 5.360 46.132 70.645 1.00 42.34 H new ATOM 0 HD12 LEU A 19 5.467 44.393 71.008 1.00 42.34 H new ATOM 0 HD13 LEU A 19 6.858 45.456 71.328 1.00 42.34 H new ATOM 0 HD21 LEU A 19 6.584 47.085 68.726 1.00 13.41 H new ATOM 0 HD22 LEU A 19 8.131 46.447 69.331 1.00 13.41 H new ATOM 0 HD23 LEU A 19 7.583 46.041 67.687 1.00 13.41 H new ATOM 313 N ASP A 20 9.731 41.748 70.276 1.00 45.24 N ATOM 314 CA ASP A 20 10.064 40.542 71.026 1.00 32.51 C ATOM 315 C ASP A 20 11.576 40.385 71.160 1.00 34.40 C ATOM 316 O ASP A 20 12.309 40.472 70.176 1.00 14.34 O ATOM 317 CB ASP A 20 9.470 39.310 70.340 1.00 53.13 C ATOM 318 CG ASP A 20 8.091 38.963 70.867 1.00 42.21 C ATOM 319 OD1 ASP A 20 7.230 39.866 70.917 1.00 51.11 O ATOM 320 OD2 ASP A 20 7.873 37.788 71.228 1.00 64.21 O ATOM 0 H ASP A 20 10.021 41.730 69.298 1.00 45.24 H new ATOM 0 HA ASP A 20 9.637 40.635 72.024 1.00 32.51 H new ATOM 0 HB2 ASP A 20 9.411 39.488 69.266 1.00 53.13 H new ATOM 0 HB3 ASP A 20 10.136 38.460 70.486 1.00 53.13 H new ATOM 325 N GLY A 21 12.035 40.154 72.387 1.00 74.21 N ATOM 326 CA GLY A 21 13.456 39.991 72.628 1.00 42.44 C ATOM 327 C GLY A 21 14.089 41.230 73.231 1.00 1.22 C ATOM 328 O GLY A 21 15.234 41.563 72.924 1.00 2.01 O ATOM 0 H GLY A 21 11.448 40.077 73.217 1.00 74.21 H new ATOM 0 HA2 GLY A 21 13.613 39.145 73.297 1.00 42.44 H new ATOM 0 HA3 GLY A 21 13.955 39.752 71.689 1.00 42.44 H new ATOM 332 N LEU A 22 13.342 41.914 74.090 1.00 52.12 N ATOM 333 CA LEU A 22 13.836 43.125 74.738 1.00 25.15 C ATOM 334 C LEU A 22 14.033 42.900 76.234 1.00 61.50 C ATOM 335 O LEU A 22 14.271 43.845 76.986 1.00 2.32 O ATOM 336 CB LEU A 22 12.863 44.283 74.508 1.00 11.33 C ATOM 337 CG LEU A 22 13.449 45.531 73.849 1.00 70.24 C ATOM 338 CD1 LEU A 22 12.488 46.087 72.810 1.00 63.44 C ATOM 339 CD2 LEU A 22 13.772 46.586 74.898 1.00 60.30 C ATOM 0 H LEU A 22 12.392 41.652 74.354 1.00 52.12 H new ATOM 0 HA LEU A 22 14.801 43.376 74.297 1.00 25.15 H new ATOM 0 HB2 LEU A 22 12.040 43.923 73.890 1.00 11.33 H new ATOM 0 HB3 LEU A 22 12.438 44.570 75.470 1.00 11.33 H new ATOM 0 HG LEU A 22 14.375 45.252 73.345 1.00 70.24 H new ATOM 0 HD11 LEU A 22 12.922 46.975 72.351 1.00 63.44 H new ATOM 0 HD12 LEU A 22 12.306 45.334 72.043 1.00 63.44 H new ATOM 0 HD13 LEU A 22 11.546 46.350 73.290 1.00 63.44 H new ATOM 0 HD21 LEU A 22 14.188 47.468 74.411 1.00 60.30 H new ATOM 0 HD22 LEU A 22 12.861 46.861 75.430 1.00 60.30 H new ATOM 0 HD23 LEU A 22 14.498 46.185 75.605 1.00 60.30 H new ATOM 351 N ARG A 23 13.935 41.645 76.657 1.00 64.10 N ATOM 352 CA ARG A 23 14.104 41.296 78.062 1.00 34.14 C ATOM 353 C ARG A 23 15.546 41.517 78.507 1.00 72.12 C ATOM 354 O ARG A 23 15.837 41.568 79.702 1.00 11.32 O ATOM 355 CB ARG A 23 13.704 39.840 78.300 1.00 1.45 C ATOM 356 CG ARG A 23 14.632 38.836 77.636 1.00 12.10 C ATOM 357 CD ARG A 23 13.973 38.178 76.433 1.00 53.04 C ATOM 358 NE ARG A 23 14.933 37.897 75.369 1.00 31.13 N ATOM 359 CZ ARG A 23 15.752 36.850 75.376 1.00 74.45 C ATOM 360 NH1 ARG A 23 15.728 35.993 76.386 1.00 42.23 N ATOM 361 NH2 ARG A 23 16.598 36.662 74.372 1.00 20.43 N ATOM 0 H ARG A 23 13.739 40.852 76.046 1.00 64.10 H new ATOM 0 HA ARG A 23 13.456 41.944 78.652 1.00 34.14 H new ATOM 0 HB2 ARG A 23 13.684 39.649 79.373 1.00 1.45 H new ATOM 0 HB3 ARG A 23 12.691 39.685 77.929 1.00 1.45 H new ATOM 0 HG2 ARG A 23 15.547 39.338 77.322 1.00 12.10 H new ATOM 0 HG3 ARG A 23 14.919 38.072 78.358 1.00 12.10 H new ATOM 0 HD2 ARG A 23 13.495 37.249 76.744 1.00 53.04 H new ATOM 0 HD3 ARG A 23 13.187 38.828 76.050 1.00 53.04 H new ATOM 0 HE ARG A 23 14.977 38.539 74.578 1.00 31.13 H new ATOM 0 HH11 ARG A 23 15.080 36.136 77.161 1.00 42.23 H new ATOM 0 HH12 ARG A 23 16.357 35.190 76.389 1.00 42.23 H new ATOM 0 HH21 ARG A 23 16.620 37.321 73.594 1.00 20.43 H new ATOM 0 HH22 ARG A 23 17.226 35.858 74.378 1.00 20.43 H new ATOM 449 N GLN A 30 7.239 50.921 76.997 1.00 3.30 N ATOM 450 CA GLN A 30 6.324 51.484 76.011 1.00 50.12 C ATOM 451 C GLN A 30 7.077 51.925 74.759 1.00 14.35 C ATOM 452 O GLN A 30 6.489 52.069 73.688 1.00 52.11 O ATOM 453 CB GLN A 30 5.565 52.670 76.608 1.00 43.02 C ATOM 454 CG GLN A 30 6.439 53.887 76.860 1.00 32.34 C ATOM 455 CD GLN A 30 5.698 55.000 77.576 1.00 4.33 C ATOM 456 OE1 GLN A 30 5.885 55.216 78.773 1.00 73.12 O ATOM 457 NE2 GLN A 30 4.850 55.713 76.843 1.00 54.03 N ATOM 0 HA GLN A 30 5.611 50.709 75.730 1.00 50.12 H new ATOM 0 HB2 GLN A 30 4.755 52.948 75.934 1.00 43.02 H new ATOM 0 HB3 GLN A 30 5.107 52.361 77.548 1.00 43.02 H new ATOM 0 HG2 GLN A 30 7.304 53.592 77.453 1.00 32.34 H new ATOM 0 HG3 GLN A 30 6.817 54.261 75.909 1.00 32.34 H new ATOM 0 HE21 GLN A 30 4.726 55.499 75.853 1.00 54.03 H new ATOM 0 HE22 GLN A 30 4.323 56.475 77.270 1.00 54.03 H new ATOM 466 N GLY A 31 8.381 52.138 74.903 1.00 53.03 N ATOM 467 CA GLY A 31 9.192 52.561 73.777 1.00 62.24 C ATOM 468 C GLY A 31 8.842 51.823 72.501 1.00 21.34 C ATOM 469 O GLY A 31 9.004 52.355 71.402 1.00 40.14 O ATOM 0 H GLY A 31 8.890 52.025 75.780 1.00 53.03 H new ATOM 0 HA2 GLY A 31 9.061 53.632 73.621 1.00 62.24 H new ATOM 0 HA3 GLY A 31 10.244 52.399 74.010 1.00 62.24 H new ATOM 473 N ASP A 32 8.361 50.592 72.643 1.00 71.21 N ATOM 474 CA ASP A 32 7.987 49.780 71.492 1.00 5.41 C ATOM 475 C ASP A 32 6.943 50.493 70.639 1.00 71.31 C ATOM 476 O ASP A 32 7.158 50.738 69.452 1.00 64.14 O ATOM 477 CB ASP A 32 7.447 48.424 71.952 1.00 63.42 C ATOM 478 CG ASP A 32 8.399 47.711 72.893 1.00 63.30 C ATOM 479 OD1 ASP A 32 9.627 47.879 72.733 1.00 32.04 O ATOM 480 OD2 ASP A 32 7.916 46.985 73.787 1.00 41.35 O ATOM 0 H ASP A 32 8.221 50.135 73.544 1.00 71.21 H new ATOM 0 HA ASP A 32 8.879 49.622 70.885 1.00 5.41 H new ATOM 0 HB2 ASP A 32 6.488 48.568 72.450 1.00 63.42 H new ATOM 0 HB3 ASP A 32 7.263 47.795 71.081 1.00 63.42 H new ATOM 485 N VAL A 33 5.810 50.823 71.251 1.00 51.02 N ATOM 486 CA VAL A 33 4.733 51.509 70.548 1.00 22.31 C ATOM 487 C VAL A 33 4.969 53.015 70.514 1.00 2.23 C ATOM 488 O VAL A 33 4.718 53.672 69.503 1.00 43.24 O ATOM 489 CB VAL A 33 3.368 51.230 71.204 1.00 5.22 C ATOM 490 CG1 VAL A 33 2.274 52.044 70.529 1.00 22.05 C ATOM 491 CG2 VAL A 33 3.047 49.744 71.152 1.00 11.15 C ATOM 0 H VAL A 33 5.614 50.626 72.233 1.00 51.02 H new ATOM 0 HA VAL A 33 4.725 51.123 69.529 1.00 22.31 H new ATOM 0 HB VAL A 33 3.419 51.532 72.250 1.00 5.22 H new ATOM 0 HG11 VAL A 33 1.317 51.833 71.006 1.00 22.05 H new ATOM 0 HG12 VAL A 33 2.500 53.106 70.623 1.00 22.05 H new ATOM 0 HG13 VAL A 33 2.220 51.776 69.474 1.00 22.05 H new ATOM 0 HG21 VAL A 33 2.079 49.564 71.620 1.00 11.15 H new ATOM 0 HG22 VAL A 33 3.015 49.415 70.113 1.00 11.15 H new ATOM 0 HG23 VAL A 33 3.817 49.187 71.685 1.00 11.15 H new ATOM 501 N LYS A 34 5.454 53.557 71.626 1.00 1.33 N ATOM 502 CA LYS A 34 5.726 54.986 71.726 1.00 43.24 C ATOM 503 C LYS A 34 6.411 55.498 70.463 1.00 63.33 C ATOM 504 O LYS A 34 6.273 56.666 70.099 1.00 13.13 O ATOM 505 CB LYS A 34 6.603 55.275 72.946 1.00 12.43 C ATOM 506 CG LYS A 34 7.212 56.667 72.943 1.00 64.22 C ATOM 507 CD LYS A 34 8.369 56.772 73.921 1.00 3.14 C ATOM 508 CE LYS A 34 9.707 56.560 73.228 1.00 14.11 C ATOM 509 NZ LYS A 34 10.853 56.804 74.147 1.00 22.22 N ATOM 0 H LYS A 34 5.667 53.028 72.471 1.00 1.33 H new ATOM 0 HA LYS A 34 4.774 55.505 71.839 1.00 43.24 H new ATOM 0 HB2 LYS A 34 6.006 55.151 73.849 1.00 12.43 H new ATOM 0 HB3 LYS A 34 7.404 54.537 72.990 1.00 12.43 H new ATOM 0 HG2 LYS A 34 7.560 56.911 71.939 1.00 64.22 H new ATOM 0 HG3 LYS A 34 6.448 57.400 73.202 1.00 64.22 H new ATOM 0 HD2 LYS A 34 8.356 57.752 74.397 1.00 3.14 H new ATOM 0 HD3 LYS A 34 8.246 56.032 74.712 1.00 3.14 H new ATOM 0 HE2 LYS A 34 9.760 55.541 72.844 1.00 14.11 H new ATOM 0 HE3 LYS A 34 9.781 57.228 72.370 1.00 14.11 H new ATOM 0 HZ1 LYS A 34 11.746 56.649 73.637 1.00 22.22 H new ATOM 0 HZ2 LYS A 34 10.818 57.784 74.493 1.00 22.22 H new ATOM 0 HZ3 LYS A 34 10.797 56.150 74.953 1.00 22.22 H new ATOM 523 N VAL A 35 7.150 54.617 69.797 1.00 44.25 N ATOM 524 CA VAL A 35 7.855 54.979 68.573 1.00 20.42 C ATOM 525 C VAL A 35 6.985 54.734 67.345 1.00 73.21 C ATOM 526 O VAL A 35 7.141 55.397 66.319 1.00 42.44 O ATOM 527 CB VAL A 35 9.168 54.186 68.425 1.00 22.40 C ATOM 528 CG1 VAL A 35 10.037 54.355 69.662 1.00 34.23 C ATOM 529 CG2 VAL A 35 8.875 52.716 68.165 1.00 55.22 C ATOM 0 H VAL A 35 7.276 53.647 70.085 1.00 44.25 H new ATOM 0 HA VAL A 35 8.087 56.042 68.644 1.00 20.42 H new ATOM 0 HB VAL A 35 9.716 54.581 67.570 1.00 22.40 H new ATOM 0 HG11 VAL A 35 10.960 53.788 69.539 1.00 34.23 H new ATOM 0 HG12 VAL A 35 10.275 55.410 69.798 1.00 34.23 H new ATOM 0 HG13 VAL A 35 9.500 53.989 70.537 1.00 34.23 H new ATOM 0 HG21 VAL A 35 9.813 52.171 68.063 1.00 55.22 H new ATOM 0 HG22 VAL A 35 8.305 52.306 68.999 1.00 55.22 H new ATOM 0 HG23 VAL A 35 8.296 52.617 67.247 1.00 55.22 H new ATOM 539 N TRP A 36 6.070 53.779 67.457 1.00 35.12 N ATOM 540 CA TRP A 36 5.173 53.447 66.356 1.00 22.23 C ATOM 541 C TRP A 36 4.619 54.709 65.704 1.00 52.41 C ATOM 542 O TRP A 36 4.195 54.688 64.549 1.00 12.03 O ATOM 543 CB TRP A 36 4.024 52.568 66.852 1.00 52.41 C ATOM 544 CG TRP A 36 4.442 51.163 67.165 1.00 40.14 C ATOM 545 CD1 TRP A 36 5.705 50.648 67.090 1.00 55.44 C ATOM 546 CD2 TRP A 36 3.596 50.093 67.598 1.00 20.31 C ATOM 547 NE1 TRP A 36 5.695 49.323 67.452 1.00 62.12 N ATOM 548 CE2 TRP A 36 4.413 48.958 67.769 1.00 63.03 C ATOM 549 CE3 TRP A 36 2.228 49.983 67.860 1.00 21.01 C ATOM 550 CZ2 TRP A 36 3.905 47.732 68.188 1.00 4.11 C ATOM 551 CZ3 TRP A 36 1.725 48.765 68.276 1.00 60.21 C ATOM 552 CH2 TRP A 36 2.562 47.653 68.437 1.00 11.13 C ATOM 0 H TRP A 36 5.929 53.221 68.299 1.00 35.12 H new ATOM 0 HA TRP A 36 5.745 52.896 65.609 1.00 22.23 H new ATOM 0 HB2 TRP A 36 3.592 53.018 67.746 1.00 52.41 H new ATOM 0 HB3 TRP A 36 3.240 52.546 66.095 1.00 52.41 H new ATOM 0 HD1 TRP A 36 6.583 51.201 66.790 1.00 55.44 H new ATOM 0 HE1 TRP A 36 6.510 48.710 67.480 1.00 62.12 H new ATOM 0 HE3 TRP A 36 1.575 50.835 67.740 1.00 21.01 H new ATOM 0 HZ2 TRP A 36 4.548 46.873 68.312 1.00 4.11 H new ATOM 0 HZ3 TRP A 36 0.669 48.669 68.480 1.00 60.21 H new ATOM 0 HH2 TRP A 36 2.139 46.715 68.764 1.00 11.13 H new ATOM 563 N MET A 37 4.627 55.807 66.452 1.00 54.54 N ATOM 564 CA MET A 37 4.126 57.080 65.946 1.00 22.20 C ATOM 565 C MET A 37 5.174 57.771 65.080 1.00 24.43 C ATOM 566 O MET A 37 4.940 58.040 63.902 1.00 14.04 O ATOM 567 CB MET A 37 3.724 57.993 67.106 1.00 22.05 C ATOM 568 CG MET A 37 2.346 58.614 66.941 1.00 52.25 C ATOM 569 SD MET A 37 1.013 57.435 67.235 1.00 71.35 S ATOM 570 CE MET A 37 1.577 56.655 68.746 1.00 62.44 C ATOM 0 H MET A 37 4.975 55.841 67.410 1.00 54.54 H new ATOM 0 HA MET A 37 3.248 56.878 65.332 1.00 22.20 H new ATOM 0 HB2 MET A 37 3.747 57.420 68.033 1.00 22.05 H new ATOM 0 HB3 MET A 37 4.463 58.788 67.204 1.00 22.05 H new ATOM 0 HG2 MET A 37 2.244 59.451 67.631 1.00 52.25 H new ATOM 0 HG3 MET A 37 2.252 59.019 65.933 1.00 52.25 H new ATOM 0 HE1 MET A 37 0.717 56.316 69.323 1.00 62.44 H new ATOM 0 HE2 MET A 37 2.209 55.801 68.501 1.00 62.44 H new ATOM 0 HE3 MET A 37 2.149 57.373 69.334 1.00 62.44 H new ATOM 580 N GLN A 38 6.330 58.056 65.672 1.00 70.22 N ATOM 581 CA GLN A 38 7.413 58.717 64.952 1.00 52.42 C ATOM 582 C GLN A 38 7.710 58.002 63.639 1.00 2.30 C ATOM 583 O GLN A 38 8.093 58.629 62.653 1.00 20.42 O ATOM 584 CB GLN A 38 8.673 58.764 65.818 1.00 41.42 C ATOM 585 CG GLN A 38 9.478 57.475 65.793 1.00 50.11 C ATOM 586 CD GLN A 38 10.842 57.625 66.434 1.00 40.14 C ATOM 587 OE1 GLN A 38 11.127 57.017 67.467 1.00 74.03 O ATOM 588 NE2 GLN A 38 11.697 58.439 65.824 1.00 55.54 N ATOM 0 H GLN A 38 6.541 57.840 66.646 1.00 70.22 H new ATOM 0 HA GLN A 38 7.097 59.735 64.725 1.00 52.42 H new ATOM 0 HB2 GLN A 38 9.306 59.584 65.479 1.00 41.42 H new ATOM 0 HB3 GLN A 38 8.388 58.985 66.847 1.00 41.42 H new ATOM 0 HG2 GLN A 38 8.922 56.694 66.311 1.00 50.11 H new ATOM 0 HG3 GLN A 38 9.600 57.148 64.760 1.00 50.11 H new ATOM 0 HE21 GLN A 38 11.420 58.923 64.970 1.00 55.54 H new ATOM 0 HE22 GLN A 38 12.631 58.580 66.210 1.00 55.54 H new ATOM 597 N ASN A 39 7.534 56.684 63.635 1.00 34.23 N ATOM 598 CA ASN A 39 7.784 55.883 62.442 1.00 52.12 C ATOM 599 C ASN A 39 6.897 56.336 61.286 1.00 54.31 C ATOM 600 O ASN A 39 7.361 56.490 60.156 1.00 71.54 O ATOM 601 CB ASN A 39 7.540 54.402 62.737 1.00 63.02 C ATOM 602 CG ASN A 39 8.811 53.675 63.132 1.00 21.13 C ATOM 603 OD1 ASN A 39 9.077 52.567 62.664 1.00 35.21 O ATOM 604 ND2 ASN A 39 9.602 54.295 63.998 1.00 54.04 N ATOM 0 H ASN A 39 7.219 56.149 64.444 1.00 34.23 H new ATOM 0 HA ASN A 39 8.826 56.022 62.153 1.00 52.12 H new ATOM 0 HB2 ASN A 39 6.808 54.310 63.539 1.00 63.02 H new ATOM 0 HB3 ASN A 39 7.110 53.925 61.856 1.00 63.02 H new ATOM 0 HD21 ASN A 39 10.470 53.854 64.302 1.00 54.04 H new ATOM 0 HD22 ASN A 39 9.342 55.212 64.360 1.00 54.04 H new ATOM 611 N LEU A 40 5.618 56.549 61.577 1.00 1.53 N ATOM 612 CA LEU A 40 4.665 56.984 60.563 1.00 23.23 C ATOM 613 C LEU A 40 4.742 58.494 60.357 1.00 24.45 C ATOM 614 O LEU A 40 4.320 59.010 59.322 1.00 0.40 O ATOM 615 CB LEU A 40 3.244 56.584 60.965 1.00 71.23 C ATOM 616 CG LEU A 40 3.127 55.606 62.134 1.00 20.21 C ATOM 617 CD1 LEU A 40 1.685 55.161 62.315 1.00 10.14 C ATOM 618 CD2 LEU A 40 4.035 54.404 61.915 1.00 14.23 C ATOM 0 H LEU A 40 5.218 56.427 62.507 1.00 1.53 H new ATOM 0 HA LEU A 40 4.921 56.494 59.624 1.00 23.23 H new ATOM 0 HB2 LEU A 40 2.691 57.489 61.218 1.00 71.23 H new ATOM 0 HB3 LEU A 40 2.753 56.142 60.098 1.00 71.23 H new ATOM 0 HG LEU A 40 3.445 56.116 63.044 1.00 20.21 H new ATOM 0 HD11 LEU A 40 1.621 54.465 63.152 1.00 10.14 H new ATOM 0 HD12 LEU A 40 1.059 56.030 62.517 1.00 10.14 H new ATOM 0 HD13 LEU A 40 1.339 54.668 61.406 1.00 10.14 H new ATOM 0 HD21 LEU A 40 3.939 53.718 62.756 1.00 14.23 H new ATOM 0 HD22 LEU A 40 3.747 53.893 60.996 1.00 14.23 H new ATOM 0 HD23 LEU A 40 5.069 54.739 61.836 1.00 14.23 H new ATOM 630 N GLU A 41 5.283 59.195 61.347 1.00 43.32 N ATOM 631 CA GLU A 41 5.417 60.645 61.272 1.00 13.42 C ATOM 632 C GLU A 41 6.391 61.045 60.168 1.00 14.31 C ATOM 633 O GLU A 41 6.089 61.910 59.344 1.00 41.21 O ATOM 634 CB GLU A 41 5.892 61.206 62.615 1.00 5.14 C ATOM 635 CG GLU A 41 5.346 62.589 62.924 1.00 13.22 C ATOM 636 CD GLU A 41 6.019 63.677 62.112 1.00 73.12 C ATOM 637 OE1 GLU A 41 7.266 63.751 62.139 1.00 40.34 O ATOM 638 OE2 GLU A 41 5.301 64.456 61.452 1.00 41.12 O ATOM 0 H GLU A 41 5.636 58.783 62.211 1.00 43.32 H new ATOM 0 HA GLU A 41 4.438 61.063 61.038 1.00 13.42 H new ATOM 0 HB2 GLU A 41 5.596 60.522 63.410 1.00 5.14 H new ATOM 0 HB3 GLU A 41 6.981 61.246 62.618 1.00 5.14 H new ATOM 0 HG2 GLU A 41 4.274 62.605 62.727 1.00 13.22 H new ATOM 0 HG3 GLU A 41 5.478 62.799 63.985 1.00 13.22 H new ATOM 645 N ASP A 42 7.559 60.412 60.158 1.00 32.04 N ATOM 646 CA ASP A 42 8.577 60.701 59.155 1.00 1.11 C ATOM 647 C ASP A 42 8.298 59.940 57.863 1.00 74.24 C ATOM 648 O ASP A 42 8.697 60.370 56.779 1.00 5.33 O ATOM 649 CB ASP A 42 9.963 60.337 59.687 1.00 71.25 C ATOM 650 CG ASP A 42 11.003 61.392 59.363 1.00 43.00 C ATOM 651 OD1 ASP A 42 11.484 61.417 58.211 1.00 34.45 O ATOM 652 OD2 ASP A 42 11.337 62.192 60.262 1.00 32.43 O ATOM 0 H ASP A 42 7.824 59.695 60.833 1.00 32.04 H new ATOM 0 HA ASP A 42 8.548 61.769 58.939 1.00 1.11 H new ATOM 0 HB2 ASP A 42 9.910 60.202 60.767 1.00 71.25 H new ATOM 0 HB3 ASP A 42 10.273 59.383 59.262 1.00 71.25 H new ATOM 657 N LEU A 43 7.611 58.810 57.984 1.00 45.12 N ATOM 658 CA LEU A 43 7.279 57.989 56.825 1.00 20.10 C ATOM 659 C LEU A 43 6.050 58.534 56.105 1.00 12.35 C ATOM 660 O LEU A 43 6.100 58.840 54.914 1.00 31.53 O ATOM 661 CB LEU A 43 7.033 56.542 57.255 1.00 4.41 C ATOM 662 CG LEU A 43 7.139 55.486 56.153 1.00 64.33 C ATOM 663 CD1 LEU A 43 6.194 55.813 55.008 1.00 32.22 C ATOM 664 CD2 LEU A 43 8.573 55.384 55.649 1.00 13.41 C ATOM 0 H LEU A 43 7.273 58.441 58.873 1.00 45.12 H new ATOM 0 HA LEU A 43 8.123 58.019 56.136 1.00 20.10 H new ATOM 0 HB2 LEU A 43 7.746 56.291 58.040 1.00 4.41 H new ATOM 0 HB3 LEU A 43 6.038 56.479 57.696 1.00 4.41 H new ATOM 0 HG LEU A 43 6.851 54.522 56.571 1.00 64.33 H new ATOM 0 HD11 LEU A 43 6.283 55.051 54.234 1.00 32.22 H new ATOM 0 HD12 LEU A 43 5.169 55.836 55.378 1.00 32.22 H new ATOM 0 HD13 LEU A 43 6.451 56.786 54.591 1.00 32.22 H new ATOM 0 HD21 LEU A 43 8.630 54.628 54.866 1.00 13.41 H new ATOM 0 HD22 LEU A 43 8.887 56.348 55.248 1.00 13.41 H new ATOM 0 HD23 LEU A 43 9.229 55.103 56.473 1.00 13.41 H new ATOM 676 N HIS A 44 4.947 58.653 56.838 1.00 31.35 N ATOM 677 CA HIS A 44 3.704 59.164 56.269 1.00 14.52 C ATOM 678 C HIS A 44 3.961 60.420 55.444 1.00 34.43 C ATOM 679 O HIS A 44 3.523 60.523 54.297 1.00 45.32 O ATOM 680 CB HIS A 44 2.697 59.466 57.381 1.00 65.21 C ATOM 681 CG HIS A 44 1.336 59.831 56.872 1.00 53.13 C ATOM 682 ND1 HIS A 44 0.667 59.097 55.916 1.00 1.20 N ATOM 683 CD2 HIS A 44 0.518 60.861 57.194 1.00 41.10 C ATOM 684 CE1 HIS A 44 -0.503 59.659 55.671 1.00 63.32 C ATOM 685 NE2 HIS A 44 -0.618 60.731 56.434 1.00 0.11 N ATOM 0 H HIS A 44 4.888 58.403 57.825 1.00 31.35 H new ATOM 0 HA HIS A 44 3.291 58.398 55.612 1.00 14.52 H new ATOM 0 HB2 HIS A 44 2.612 58.594 58.030 1.00 65.21 H new ATOM 0 HB3 HIS A 44 3.078 60.283 57.994 1.00 65.21 H new ATOM 0 HD2 HIS A 44 0.721 61.640 57.914 1.00 41.10 H new ATOM 0 HE1 HIS A 44 -1.240 59.303 54.967 1.00 63.32 H new ATOM 0 HE2 HIS A 44 -1.421 61.360 56.455 1.00 0.11 H new ATOM 693 N THR A 45 4.671 61.377 56.034 1.00 12.41 N ATOM 694 CA THR A 45 4.983 62.627 55.354 1.00 30.01 C ATOM 695 C THR A 45 5.394 62.378 53.907 1.00 50.34 C ATOM 696 O THR A 45 5.251 63.252 53.052 1.00 15.43 O ATOM 697 CB THR A 45 6.112 63.390 56.073 1.00 45.34 C ATOM 698 OG1 THR A 45 6.427 64.588 55.355 1.00 42.32 O ATOM 699 CG2 THR A 45 7.357 62.524 56.195 1.00 42.33 C ATOM 0 H THR A 45 5.041 61.309 56.982 1.00 12.41 H new ATOM 0 HA THR A 45 4.077 63.232 55.372 1.00 30.01 H new ATOM 0 HB THR A 45 5.767 63.647 57.075 1.00 45.34 H new ATOM 0 HG1 THR A 45 7.144 65.068 55.819 1.00 42.32 H new ATOM 0 HG21 THR A 45 8.141 63.083 56.706 1.00 42.33 H new ATOM 0 HG22 THR A 45 7.121 61.626 56.766 1.00 42.33 H new ATOM 0 HG23 THR A 45 7.702 62.241 55.201 1.00 42.33 H new ATOM 707 N ARG A 46 5.905 61.181 53.640 1.00 24.43 N ATOM 708 CA ARG A 46 6.337 60.818 52.295 1.00 1.25 C ATOM 709 C ARG A 46 5.307 59.919 51.617 1.00 13.44 C ATOM 710 O ARG A 46 4.643 60.327 50.665 1.00 52.23 O ATOM 711 CB ARG A 46 7.692 60.111 52.346 1.00 50.20 C ATOM 712 CG ARG A 46 8.877 61.058 52.249 1.00 25.44 C ATOM 713 CD ARG A 46 10.086 60.376 51.627 1.00 23.13 C ATOM 714 NE ARG A 46 11.328 61.080 51.930 1.00 44.22 N ATOM 715 CZ ARG A 46 12.525 60.664 51.531 1.00 51.34 C ATOM 716 NH1 ARG A 46 12.641 59.554 50.816 1.00 72.40 N ATOM 717 NH2 ARG A 46 13.610 61.360 51.848 1.00 45.12 N ATOM 0 H ARG A 46 6.030 60.446 54.336 1.00 24.43 H new ATOM 0 HA ARG A 46 6.434 61.734 51.712 1.00 1.25 H new ATOM 0 HB2 ARG A 46 7.763 59.547 53.276 1.00 50.20 H new ATOM 0 HB3 ARG A 46 7.747 59.389 51.531 1.00 50.20 H new ATOM 0 HG2 ARG A 46 8.601 61.927 51.652 1.00 25.44 H new ATOM 0 HG3 ARG A 46 9.135 61.423 53.243 1.00 25.44 H new ATOM 0 HD2 ARG A 46 10.152 59.351 51.993 1.00 23.13 H new ATOM 0 HD3 ARG A 46 9.955 60.321 50.546 1.00 23.13 H new ATOM 0 HE ARG A 46 11.274 61.938 52.478 1.00 44.22 H new ATOM 0 HH11 ARG A 46 11.810 59.016 50.570 1.00 72.40 H new ATOM 0 HH12 ARG A 46 13.562 59.238 50.511 1.00 72.40 H new ATOM 0 HH21 ARG A 46 13.525 62.215 52.398 1.00 45.12 H new ATOM 0 HH22 ARG A 46 14.529 61.040 51.541 1.00 45.12 H new ATOM 731 N ARG A 47 5.180 58.693 52.116 1.00 25.33 N ATOM 732 CA ARG A 47 4.233 57.736 51.557 1.00 10.40 C ATOM 733 C ARG A 47 3.479 57.007 52.667 1.00 63.12 C ATOM 734 O ARG A 47 4.072 56.435 53.581 1.00 2.20 O ATOM 735 CB ARG A 47 4.960 56.724 50.671 1.00 3.23 C ATOM 736 CG ARG A 47 4.026 55.856 49.843 1.00 32.51 C ATOM 737 CD ARG A 47 3.913 56.365 48.414 1.00 73.30 C ATOM 738 NE ARG A 47 2.607 56.961 48.147 1.00 20.42 N ATOM 739 CZ ARG A 47 2.361 57.762 47.116 1.00 21.15 C ATOM 740 NH1 ARG A 47 3.327 58.061 46.260 1.00 44.45 N ATOM 741 NH2 ARG A 47 1.146 58.265 46.940 1.00 31.04 N ATOM 0 H ARG A 47 5.721 58.340 52.906 1.00 25.33 H new ATOM 0 HA ARG A 47 3.513 58.287 50.952 1.00 10.40 H new ATOM 0 HB2 ARG A 47 5.634 57.258 50.002 1.00 3.23 H new ATOM 0 HB3 ARG A 47 5.577 56.082 51.299 1.00 3.23 H new ATOM 0 HG2 ARG A 47 4.392 54.829 49.837 1.00 32.51 H new ATOM 0 HG3 ARG A 47 3.038 55.840 50.304 1.00 32.51 H new ATOM 0 HD2 ARG A 47 4.693 57.104 48.230 1.00 73.30 H new ATOM 0 HD3 ARG A 47 4.084 55.541 47.721 1.00 73.30 H new ATOM 0 HE ARG A 47 1.841 56.751 48.787 1.00 20.42 H new ATOM 0 HH11 ARG A 47 4.262 57.676 46.392 1.00 44.45 H new ATOM 0 HH12 ARG A 47 3.135 58.676 45.469 1.00 44.45 H new ATOM 0 HH21 ARG A 47 0.400 58.037 47.597 1.00 31.04 H new ATOM 0 HH22 ARG A 47 0.958 58.880 46.148 1.00 31.04 H new ATOM 755 N PRO A 48 2.141 57.028 52.586 1.00 63.41 N ATOM 756 CA PRO A 48 1.277 56.374 53.573 1.00 11.51 C ATOM 757 C PRO A 48 1.356 54.853 53.496 1.00 21.34 C ATOM 758 O PRO A 48 1.593 54.182 54.500 1.00 73.35 O ATOM 759 CB PRO A 48 -0.125 56.857 53.194 1.00 53.22 C ATOM 760 CG PRO A 48 -0.032 57.187 51.744 1.00 22.22 C ATOM 761 CD PRO A 48 1.367 57.691 51.523 1.00 34.55 C ATOM 0 HA PRO A 48 1.566 56.622 54.594 1.00 11.51 H new ATOM 0 HB2 PRO A 48 -0.873 56.085 53.377 1.00 53.22 H new ATOM 0 HB3 PRO A 48 -0.416 57.728 53.781 1.00 53.22 H new ATOM 0 HG2 PRO A 48 -0.232 56.309 51.130 1.00 22.22 H new ATOM 0 HG3 PRO A 48 -0.767 57.943 51.468 1.00 22.22 H new ATOM 0 HD2 PRO A 48 1.737 57.427 50.532 1.00 34.55 H new ATOM 0 HD3 PRO A 48 1.421 58.777 51.605 1.00 34.55 H new ATOM 769 N ASP A 49 1.156 54.316 52.298 1.00 24.25 N ATOM 770 CA ASP A 49 1.205 52.874 52.088 1.00 3.01 C ATOM 771 C ASP A 49 2.441 52.271 52.749 1.00 50.15 C ATOM 772 O ASP A 49 2.430 51.115 53.170 1.00 63.40 O ATOM 773 CB ASP A 49 1.203 52.553 50.592 1.00 51.53 C ATOM 774 CG ASP A 49 1.301 51.065 50.320 1.00 20.21 C ATOM 775 OD1 ASP A 49 2.375 50.483 50.579 1.00 12.02 O ATOM 776 OD2 ASP A 49 0.303 50.482 49.845 1.00 40.20 O ATOM 0 H ASP A 49 0.958 54.858 51.457 1.00 24.25 H new ATOM 0 HA ASP A 49 0.319 52.435 52.546 1.00 3.01 H new ATOM 0 HB2 ASP A 49 0.290 52.943 50.141 1.00 51.53 H new ATOM 0 HB3 ASP A 49 2.039 53.063 50.113 1.00 51.53 H new ATOM 781 N GLU A 50 3.506 53.063 52.834 1.00 11.43 N ATOM 782 CA GLU A 50 4.750 52.606 53.442 1.00 62.33 C ATOM 783 C GLU A 50 4.771 52.912 54.936 1.00 73.12 C ATOM 784 O GLU A 50 5.414 52.210 55.717 1.00 11.32 O ATOM 785 CB GLU A 50 5.950 53.266 52.758 1.00 64.20 C ATOM 786 CG GLU A 50 6.303 52.646 51.416 1.00 41.21 C ATOM 787 CD GLU A 50 7.729 52.131 51.369 1.00 34.12 C ATOM 788 OE1 GLU A 50 8.630 52.836 51.868 1.00 51.32 O ATOM 789 OE2 GLU A 50 7.942 51.023 50.832 1.00 72.51 O ATOM 0 H GLU A 50 3.532 54.023 52.490 1.00 11.43 H new ATOM 0 HA GLU A 50 4.813 51.526 53.310 1.00 62.33 H new ATOM 0 HB2 GLU A 50 5.738 54.326 52.615 1.00 64.20 H new ATOM 0 HB3 GLU A 50 6.815 53.200 53.418 1.00 64.20 H new ATOM 0 HG2 GLU A 50 5.617 51.825 51.207 1.00 41.21 H new ATOM 0 HG3 GLU A 50 6.162 53.387 50.629 1.00 41.21 H new ATOM 796 N PHE A 51 4.063 53.968 55.328 1.00 4.42 N ATOM 797 CA PHE A 51 4.001 54.369 56.729 1.00 62.52 C ATOM 798 C PHE A 51 3.803 53.157 57.633 1.00 51.41 C ATOM 799 O PHE A 51 4.470 53.017 58.659 1.00 42.41 O ATOM 800 CB PHE A 51 2.865 55.371 56.943 1.00 62.20 C ATOM 801 CG PHE A 51 1.664 54.779 57.624 1.00 2.05 C ATOM 802 CD1 PHE A 51 1.766 54.248 58.900 1.00 43.23 C ATOM 803 CD2 PHE A 51 0.433 54.753 56.989 1.00 13.13 C ATOM 804 CE1 PHE A 51 0.663 53.702 59.529 1.00 4.21 C ATOM 805 CE2 PHE A 51 -0.673 54.209 57.613 1.00 20.44 C ATOM 806 CZ PHE A 51 -0.559 53.683 58.885 1.00 51.23 C ATOM 0 H PHE A 51 3.525 54.560 54.695 1.00 4.42 H new ATOM 0 HA PHE A 51 4.948 54.842 56.989 1.00 62.52 H new ATOM 0 HB2 PHE A 51 3.235 56.206 57.538 1.00 62.20 H new ATOM 0 HB3 PHE A 51 2.562 55.777 55.978 1.00 62.20 H new ATOM 0 HD1 PHE A 51 2.719 54.261 59.409 1.00 43.23 H new ATOM 0 HD2 PHE A 51 0.337 55.163 55.994 1.00 13.13 H new ATOM 0 HE1 PHE A 51 0.756 53.291 60.523 1.00 4.21 H new ATOM 0 HE2 PHE A 51 -1.627 54.195 57.106 1.00 20.44 H new ATOM 0 HZ PHE A 51 -1.423 53.258 59.375 1.00 51.23 H new ATOM 816 N THR A 52 2.880 52.281 57.247 1.00 24.33 N ATOM 817 CA THR A 52 2.592 51.082 58.023 1.00 3.24 C ATOM 818 C THR A 52 3.789 50.138 58.041 1.00 61.01 C ATOM 819 O THR A 52 4.073 49.499 59.054 1.00 72.23 O ATOM 820 CB THR A 52 1.369 50.331 57.463 1.00 22.02 C ATOM 821 OG1 THR A 52 1.748 49.564 56.316 1.00 3.13 O ATOM 822 CG2 THR A 52 0.263 51.304 57.086 1.00 10.11 C ATOM 0 H THR A 52 2.319 52.380 56.401 1.00 24.33 H new ATOM 0 HA THR A 52 2.375 51.408 59.040 1.00 3.24 H new ATOM 0 HB THR A 52 0.994 49.663 58.238 1.00 22.02 H new ATOM 0 HG1 THR A 52 0.965 49.088 55.967 1.00 3.13 H new ATOM 0 HG21 THR A 52 -0.590 50.751 56.693 1.00 10.11 H new ATOM 0 HG22 THR A 52 -0.044 51.866 57.968 1.00 10.11 H new ATOM 0 HG23 THR A 52 0.629 51.994 56.326 1.00 10.11 H new ATOM 830 N ALA A 53 4.488 50.055 56.913 1.00 11.42 N ATOM 831 CA ALA A 53 5.656 49.191 56.801 1.00 3.21 C ATOM 832 C ALA A 53 6.755 49.624 57.766 1.00 44.11 C ATOM 833 O ALA A 53 7.584 48.814 58.181 1.00 14.12 O ATOM 834 CB ALA A 53 6.177 49.190 55.371 1.00 14.44 C ATOM 0 H ALA A 53 4.265 50.576 56.065 1.00 11.42 H new ATOM 0 HA ALA A 53 5.354 48.178 57.067 1.00 3.21 H new ATOM 0 HB1 ALA A 53 7.050 48.540 55.302 1.00 14.44 H new ATOM 0 HB2 ALA A 53 5.399 48.825 54.701 1.00 14.44 H new ATOM 0 HB3 ALA A 53 6.456 50.204 55.085 1.00 14.44 H new ATOM 840 N ARG A 54 6.756 50.906 58.118 1.00 33.25 N ATOM 841 CA ARG A 54 7.753 51.447 59.032 1.00 3.40 C ATOM 842 C ARG A 54 7.610 50.830 60.420 1.00 12.42 C ATOM 843 O ARG A 54 8.507 50.136 60.899 1.00 43.32 O ATOM 844 CB ARG A 54 7.622 52.968 59.122 1.00 2.20 C ATOM 845 CG ARG A 54 8.846 53.652 59.708 1.00 42.44 C ATOM 846 CD ARG A 54 9.910 53.895 58.648 1.00 22.34 C ATOM 847 NE ARG A 54 11.260 53.756 59.186 1.00 63.03 N ATOM 848 CZ ARG A 54 12.353 54.140 58.536 1.00 63.43 C ATOM 849 NH1 ARG A 54 12.254 54.684 57.330 1.00 21.22 N ATOM 850 NH2 ARG A 54 13.547 53.982 59.091 1.00 22.11 N ATOM 0 H ARG A 54 6.076 51.589 57.783 1.00 33.25 H new ATOM 0 HA ARG A 54 8.740 51.197 58.642 1.00 3.40 H new ATOM 0 HB2 ARG A 54 7.436 53.368 58.125 1.00 2.20 H new ATOM 0 HB3 ARG A 54 6.752 53.214 59.732 1.00 2.20 H new ATOM 0 HG2 ARG A 54 8.554 54.602 60.156 1.00 42.44 H new ATOM 0 HG3 ARG A 54 9.260 53.037 60.507 1.00 42.44 H new ATOM 0 HD2 ARG A 54 9.772 53.190 57.828 1.00 22.34 H new ATOM 0 HD3 ARG A 54 9.786 54.895 58.233 1.00 22.34 H new ATOM 0 HE ARG A 54 11.370 53.341 60.111 1.00 63.03 H new ATOM 0 HH11 ARG A 54 11.337 54.808 56.900 1.00 21.22 H new ATOM 0 HH12 ARG A 54 13.095 54.978 56.833 1.00 21.22 H new ATOM 0 HH21 ARG A 54 13.627 53.565 60.018 1.00 22.11 H new ATOM 0 HH22 ARG A 54 14.385 54.277 58.590 1.00 22.11 H new ATOM 864 N LEU A 55 6.476 51.089 61.062 1.00 51.23 N ATOM 865 CA LEU A 55 6.214 50.559 62.397 1.00 61.23 C ATOM 866 C LEU A 55 5.906 49.067 62.340 1.00 43.32 C ATOM 867 O LEU A 55 6.295 48.309 63.229 1.00 33.12 O ATOM 868 CB LEU A 55 5.048 51.308 63.044 1.00 43.23 C ATOM 869 CG LEU A 55 3.652 50.756 62.754 1.00 63.01 C ATOM 870 CD1 LEU A 55 2.707 51.065 63.904 1.00 35.33 C ATOM 871 CD2 LEU A 55 3.114 51.325 61.450 1.00 3.14 C ATOM 0 H LEU A 55 5.723 51.662 60.681 1.00 51.23 H new ATOM 0 HA LEU A 55 7.110 50.703 63.001 1.00 61.23 H new ATOM 0 HB2 LEU A 55 5.199 51.311 64.124 1.00 43.23 H new ATOM 0 HB3 LEU A 55 5.082 52.346 62.715 1.00 43.23 H new ATOM 0 HG LEU A 55 3.724 49.673 62.651 1.00 63.01 H new ATOM 0 HD11 LEU A 55 1.718 50.665 63.680 1.00 35.33 H new ATOM 0 HD12 LEU A 55 3.085 50.608 64.818 1.00 35.33 H new ATOM 0 HD13 LEU A 55 2.639 52.144 64.039 1.00 35.33 H new ATOM 0 HD21 LEU A 55 2.120 50.921 61.260 1.00 3.14 H new ATOM 0 HD22 LEU A 55 3.057 52.411 61.523 1.00 3.14 H new ATOM 0 HD23 LEU A 55 3.780 51.051 60.631 1.00 3.14 H new ATOM 883 N GLN A 56 5.209 48.651 61.288 1.00 30.32 N ATOM 884 CA GLN A 56 4.850 47.249 61.114 1.00 53.22 C ATOM 885 C GLN A 56 6.046 46.343 61.388 1.00 51.35 C ATOM 886 O GLN A 56 5.897 45.251 61.934 1.00 15.01 O ATOM 887 CB GLN A 56 4.326 47.005 59.698 1.00 34.53 C ATOM 888 CG GLN A 56 4.158 45.534 59.356 1.00 43.03 C ATOM 889 CD GLN A 56 2.835 44.970 59.833 1.00 63.11 C ATOM 890 OE1 GLN A 56 2.798 44.024 60.620 1.00 2.12 O ATOM 891 NE2 GLN A 56 1.739 45.550 59.358 1.00 11.45 N ATOM 0 H GLN A 56 4.881 49.266 60.543 1.00 30.32 H new ATOM 0 HA GLN A 56 4.064 47.011 61.830 1.00 53.22 H new ATOM 0 HB2 GLN A 56 3.366 47.508 59.583 1.00 34.53 H new ATOM 0 HB3 GLN A 56 5.011 47.460 58.983 1.00 34.53 H new ATOM 0 HG2 GLN A 56 4.235 45.405 58.276 1.00 43.03 H new ATOM 0 HG3 GLN A 56 4.973 44.966 59.804 1.00 43.03 H new ATOM 0 HE21 GLN A 56 1.817 46.332 58.707 1.00 11.45 H new ATOM 0 HE22 GLN A 56 0.819 45.214 59.644 1.00 11.45 H new ATOM 900 N GLN A 57 7.233 46.806 61.007 1.00 21.33 N ATOM 901 CA GLN A 57 8.454 46.037 61.210 1.00 50.22 C ATOM 902 C GLN A 57 8.630 45.676 62.682 1.00 31.21 C ATOM 903 O GLN A 57 9.082 44.580 63.012 1.00 1.42 O ATOM 904 CB GLN A 57 9.667 46.826 60.719 1.00 64.44 C ATOM 905 CG GLN A 57 10.220 46.329 59.392 1.00 33.31 C ATOM 906 CD GLN A 57 10.843 44.951 59.498 1.00 55.23 C ATOM 907 OE1 GLN A 57 11.949 44.796 60.019 1.00 30.44 O ATOM 908 NE2 GLN A 57 10.135 43.941 59.006 1.00 73.32 N ATOM 0 H GLN A 57 7.374 47.710 60.556 1.00 21.33 H new ATOM 0 HA GLN A 57 8.373 45.115 60.634 1.00 50.22 H new ATOM 0 HB2 GLN A 57 9.391 47.875 60.618 1.00 64.44 H new ATOM 0 HB3 GLN A 57 10.453 46.775 61.473 1.00 64.44 H new ATOM 0 HG2 GLN A 57 9.418 46.305 58.655 1.00 33.31 H new ATOM 0 HG3 GLN A 57 10.967 47.034 59.027 1.00 33.31 H new ATOM 0 HE21 GLN A 57 9.223 44.116 58.583 1.00 73.32 H new ATOM 0 HE22 GLN A 57 10.503 42.991 59.051 1.00 73.32 H new ATOM 917 N SER A 58 8.271 46.605 63.562 1.00 62.54 N ATOM 918 CA SER A 58 8.394 46.387 64.998 1.00 70.41 C ATOM 919 C SER A 58 7.236 45.542 65.520 1.00 23.10 C ATOM 920 O SER A 58 7.439 44.450 66.052 1.00 62.23 O ATOM 921 CB SER A 58 8.437 47.726 65.737 1.00 11.13 C ATOM 922 OG SER A 58 9.749 48.023 66.181 1.00 43.32 O ATOM 0 H SER A 58 7.892 47.517 63.305 1.00 62.54 H new ATOM 0 HA SER A 58 9.325 45.850 65.181 1.00 70.41 H new ATOM 0 HB2 SER A 58 8.085 48.520 65.078 1.00 11.13 H new ATOM 0 HB3 SER A 58 7.759 47.696 66.590 1.00 11.13 H new ATOM 0 HG SER A 58 9.749 48.884 66.648 1.00 43.32 H new ATOM 928 N THR A 59 6.019 46.055 65.363 1.00 63.10 N ATOM 929 CA THR A 59 4.829 45.349 65.819 1.00 31.50 C ATOM 930 C THR A 59 4.839 43.897 65.355 1.00 32.02 C ATOM 931 O THR A 59 4.179 43.042 65.946 1.00 52.01 O ATOM 932 CB THR A 59 3.544 46.029 65.310 1.00 32.30 C ATOM 933 OG1 THR A 59 3.569 47.426 65.627 1.00 41.45 O ATOM 934 CG2 THR A 59 2.311 45.387 65.926 1.00 14.43 C ATOM 0 H THR A 59 5.833 46.956 64.924 1.00 63.10 H new ATOM 0 HA THR A 59 4.841 45.379 66.909 1.00 31.50 H new ATOM 0 HB THR A 59 3.498 45.903 64.228 1.00 32.30 H new ATOM 0 HG1 THR A 59 3.540 47.541 66.600 1.00 41.45 H new ATOM 0 HG21 THR A 59 1.416 45.884 65.551 1.00 14.43 H new ATOM 0 HG22 THR A 59 2.278 44.331 65.658 1.00 14.43 H new ATOM 0 HG23 THR A 59 2.353 45.485 67.011 1.00 14.43 H new ATOM 942 N ASP A 60 5.590 43.624 64.294 1.00 62.44 N ATOM 943 CA ASP A 60 5.688 42.274 63.752 1.00 75.43 C ATOM 944 C ASP A 60 5.874 41.252 64.869 1.00 52.15 C ATOM 945 O ASP A 60 5.041 40.366 65.058 1.00 61.24 O ATOM 946 CB ASP A 60 6.849 42.183 62.760 1.00 13.31 C ATOM 947 CG ASP A 60 6.390 41.805 61.365 1.00 52.23 C ATOM 948 OD1 ASP A 60 5.305 42.265 60.954 1.00 3.45 O ATOM 949 OD2 ASP A 60 7.117 41.049 60.686 1.00 74.31 O ATOM 0 H ASP A 60 6.140 44.321 63.792 1.00 62.44 H new ATOM 0 HA ASP A 60 4.757 42.049 63.231 1.00 75.43 H new ATOM 0 HB2 ASP A 60 7.367 43.142 62.722 1.00 13.31 H new ATOM 0 HB3 ASP A 60 7.569 41.446 63.115 1.00 13.31 H new ATOM 954 N ALA A 61 6.973 41.382 65.606 1.00 31.15 N ATOM 955 CA ALA A 61 7.268 40.471 66.704 1.00 5.42 C ATOM 956 C ALA A 61 6.052 40.283 67.604 1.00 33.13 C ATOM 957 O ALA A 61 5.805 39.189 68.113 1.00 60.32 O ATOM 958 CB ALA A 61 8.451 40.984 67.512 1.00 54.32 C ATOM 0 H ALA A 61 7.673 42.110 65.462 1.00 31.15 H new ATOM 0 HA ALA A 61 7.525 39.501 66.279 1.00 5.42 H new ATOM 0 HB1 ALA A 61 8.660 40.294 68.329 1.00 54.32 H new ATOM 0 HB2 ALA A 61 9.327 41.059 66.867 1.00 54.32 H new ATOM 0 HB3 ALA A 61 8.215 41.967 67.919 1.00 54.32 H new ATOM 964 N LEU A 62 5.293 41.358 67.797 1.00 3.34 N ATOM 965 CA LEU A 62 4.101 41.311 68.637 1.00 44.50 C ATOM 966 C LEU A 62 3.031 40.419 68.016 1.00 62.51 C ATOM 967 O LEU A 62 2.247 39.787 68.724 1.00 34.40 O ATOM 968 CB LEU A 62 3.547 42.721 68.847 1.00 35.11 C ATOM 969 CG LEU A 62 2.463 42.863 69.916 1.00 53.30 C ATOM 970 CD1 LEU A 62 2.514 44.246 70.548 1.00 61.31 C ATOM 971 CD2 LEU A 62 1.088 42.597 69.320 1.00 50.45 C ATOM 0 H LEU A 62 5.482 42.271 67.384 1.00 3.34 H new ATOM 0 HA LEU A 62 4.383 40.890 69.602 1.00 44.50 H new ATOM 0 HB2 LEU A 62 4.375 43.380 69.108 1.00 35.11 H new ATOM 0 HB3 LEU A 62 3.143 43.076 67.899 1.00 35.11 H new ATOM 0 HG LEU A 62 2.649 42.123 70.695 1.00 53.30 H new ATOM 0 HD11 LEU A 62 1.735 44.328 71.306 1.00 61.31 H new ATOM 0 HD12 LEU A 62 3.489 44.399 71.011 1.00 61.31 H new ATOM 0 HD13 LEU A 62 2.354 45.003 69.780 1.00 61.31 H new ATOM 0 HD21 LEU A 62 0.329 42.702 70.095 1.00 50.45 H new ATOM 0 HD22 LEU A 62 0.893 43.313 68.521 1.00 50.45 H new ATOM 0 HD23 LEU A 62 1.056 41.585 68.916 1.00 50.45 H new ATOM 983 N TYR A 63 3.007 40.370 66.688 1.00 74.33 N ATOM 984 CA TYR A 63 2.033 39.556 65.971 1.00 33.11 C ATOM 985 C TYR A 63 2.302 38.070 66.185 1.00 64.14 C ATOM 986 O TYR A 63 1.391 37.298 66.478 1.00 13.44 O ATOM 987 CB TYR A 63 2.067 39.882 64.476 1.00 11.44 C ATOM 988 CG TYR A 63 2.737 38.816 63.639 1.00 73.33 C ATOM 989 CD1 TYR A 63 2.201 37.538 63.547 1.00 63.30 C ATOM 990 CD2 TYR A 63 3.906 39.088 62.939 1.00 74.21 C ATOM 991 CE1 TYR A 63 2.811 36.561 62.784 1.00 3.34 C ATOM 992 CE2 TYR A 63 4.522 38.118 62.173 1.00 1.32 C ATOM 993 CZ TYR A 63 3.970 36.856 62.098 1.00 40.55 C ATOM 994 OH TYR A 63 4.580 35.887 61.336 1.00 4.51 O ATOM 0 H TYR A 63 3.651 40.884 66.087 1.00 74.33 H new ATOM 0 HA TYR A 63 1.043 39.788 66.365 1.00 33.11 H new ATOM 0 HB2 TYR A 63 1.046 40.023 64.120 1.00 11.44 H new ATOM 0 HB3 TYR A 63 2.589 40.828 64.331 1.00 11.44 H new ATOM 0 HD1 TYR A 63 1.292 37.304 64.081 1.00 63.30 H new ATOM 0 HD2 TYR A 63 4.340 40.075 62.995 1.00 74.21 H new ATOM 0 HE1 TYR A 63 2.382 35.571 62.725 1.00 3.34 H new ATOM 0 HE2 TYR A 63 5.431 38.346 61.636 1.00 1.32 H new ATOM 0 HH TYR A 63 5.385 36.258 60.918 1.00 4.51 H new ATOM 1004 N SER A 64 3.564 37.676 66.036 1.00 73.03 N ATOM 1005 CA SER A 64 3.955 36.283 66.209 1.00 50.32 C ATOM 1006 C SER A 64 3.898 35.882 67.680 1.00 20.10 C ATOM 1007 O SER A 64 3.501 34.766 68.016 1.00 31.11 O ATOM 1008 CB SER A 64 5.366 36.055 65.661 1.00 22.13 C ATOM 1009 OG SER A 64 5.600 34.679 65.413 1.00 53.15 O ATOM 0 H SER A 64 4.332 38.303 65.796 1.00 73.03 H new ATOM 0 HA SER A 64 3.252 35.662 65.653 1.00 50.32 H new ATOM 0 HB2 SER A 64 5.498 36.622 64.739 1.00 22.13 H new ATOM 0 HB3 SER A 64 6.101 36.430 66.373 1.00 22.13 H new ATOM 0 HG SER A 64 6.507 34.559 65.062 1.00 53.15 H new ATOM 1015 N HIS A 65 4.299 36.800 68.553 1.00 12.34 N ATOM 1016 CA HIS A 65 4.294 36.543 69.989 1.00 35.00 C ATOM 1017 C HIS A 65 2.907 36.113 70.459 1.00 61.02 C ATOM 1018 O HIS A 65 2.771 35.190 71.263 1.00 44.31 O ATOM 1019 CB HIS A 65 4.739 37.790 70.754 1.00 71.34 C ATOM 1020 CG HIS A 65 4.717 37.622 72.242 1.00 20.42 C ATOM 1021 ND1 HIS A 65 3.621 37.933 73.019 1.00 65.51 N ATOM 1022 CD2 HIS A 65 5.665 37.169 73.095 1.00 20.33 C ATOM 1023 CE1 HIS A 65 3.897 37.680 74.285 1.00 31.34 C ATOM 1024 NE2 HIS A 65 5.130 37.215 74.359 1.00 13.12 N ATOM 0 H HIS A 65 4.631 37.728 68.292 1.00 12.34 H new ATOM 0 HA HIS A 65 4.995 35.733 70.190 1.00 35.00 H new ATOM 0 HB2 HIS A 65 5.749 38.056 70.442 1.00 71.34 H new ATOM 0 HB3 HIS A 65 4.091 38.623 70.481 1.00 71.34 H new ATOM 0 HD2 HIS A 65 6.657 36.834 72.831 1.00 20.33 H new ATOM 0 HE1 HIS A 65 3.227 37.828 75.119 1.00 31.34 H new ATOM 0 HE2 HIS A 65 5.608 36.935 75.216 1.00 13.12 H new ATOM 1032 N LEU A 66 1.880 36.788 69.954 1.00 64.44 N ATOM 1033 CA LEU A 66 0.504 36.476 70.321 1.00 50.11 C ATOM 1034 C LEU A 66 0.018 35.223 69.600 1.00 51.33 C ATOM 1035 O LEU A 66 -0.368 34.241 70.233 1.00 13.10 O ATOM 1036 CB LEU A 66 -0.413 37.656 69.993 1.00 25.11 C ATOM 1037 CG LEU A 66 -1.830 37.583 70.561 1.00 12.23 C ATOM 1038 CD1 LEU A 66 -1.901 38.283 71.910 1.00 65.34 C ATOM 1039 CD2 LEU A 66 -2.827 38.195 69.588 1.00 41.22 C ATOM 0 H LEU A 66 1.975 37.555 69.289 1.00 64.44 H new ATOM 0 HA LEU A 66 0.474 36.289 71.394 1.00 50.11 H new ATOM 0 HB2 LEU A 66 0.057 38.568 70.360 1.00 25.11 H new ATOM 0 HB3 LEU A 66 -0.482 37.746 68.909 1.00 25.11 H new ATOM 0 HG LEU A 66 -2.090 36.534 70.704 1.00 12.23 H new ATOM 0 HD11 LEU A 66 -2.917 38.221 72.299 1.00 65.34 H new ATOM 0 HD12 LEU A 66 -1.216 37.801 72.607 1.00 65.34 H new ATOM 0 HD13 LEU A 66 -1.621 39.330 71.792 1.00 65.34 H new ATOM 0 HD21 LEU A 66 -3.831 38.134 70.009 1.00 41.22 H new ATOM 0 HD22 LEU A 66 -2.570 39.240 69.412 1.00 41.22 H new ATOM 0 HD23 LEU A 66 -2.796 37.650 68.644 1.00 41.22 H new ATOM 1051 N GLU A 67 0.042 35.264 68.271 1.00 35.44 N ATOM 1052 CA GLU A 67 -0.396 34.132 67.464 1.00 42.24 C ATOM 1053 C GLU A 67 0.300 32.847 67.907 1.00 53.02 C ATOM 1054 O GLU A 67 -0.286 31.766 67.867 1.00 61.35 O ATOM 1055 CB GLU A 67 -0.114 34.393 65.983 1.00 41.14 C ATOM 1056 CG GLU A 67 -1.048 33.649 65.045 1.00 34.13 C ATOM 1057 CD GLU A 67 -0.566 33.662 63.607 1.00 51.54 C ATOM 1058 OE1 GLU A 67 0.625 33.363 63.379 1.00 64.34 O ATOM 1059 OE2 GLU A 67 -1.379 33.972 62.712 1.00 20.01 O ATOM 0 H GLU A 67 0.360 36.069 67.731 1.00 35.44 H new ATOM 0 HA GLU A 67 -1.470 34.011 67.606 1.00 42.24 H new ATOM 0 HB2 GLU A 67 -0.195 35.463 65.790 1.00 41.14 H new ATOM 0 HB3 GLU A 67 0.914 34.106 65.762 1.00 41.14 H new ATOM 0 HG2 GLU A 67 -1.147 32.617 65.381 1.00 34.13 H new ATOM 0 HG3 GLU A 67 -2.040 34.098 65.095 1.00 34.13 H new ATOM 1066 N ALA A 68 1.553 32.976 68.329 1.00 10.50 N ATOM 1067 CA ALA A 68 2.329 31.828 68.782 1.00 23.24 C ATOM 1068 C ALA A 68 2.031 31.505 70.241 1.00 44.40 C ATOM 1069 O ALA A 68 1.586 30.404 70.564 1.00 15.20 O ATOM 1070 CB ALA A 68 3.816 32.086 68.588 1.00 3.10 C ATOM 0 H ALA A 68 2.053 33.864 68.367 1.00 10.50 H new ATOM 0 HA ALA A 68 2.040 30.966 68.181 1.00 23.24 H new ATOM 0 HB1 ALA A 68 4.383 31.221 68.931 1.00 3.10 H new ATOM 0 HB2 ALA A 68 4.020 32.259 67.531 1.00 3.10 H new ATOM 0 HB3 ALA A 68 4.111 32.964 69.163 1.00 3.10 H new ATOM 1076 N GLN A 69 2.281 32.471 71.119 1.00 44.33 N ATOM 1077 CA GLN A 69 2.042 32.287 72.545 1.00 55.43 C ATOM 1078 C GLN A 69 0.552 32.125 72.830 1.00 74.12 C ATOM 1079 O GLN A 69 0.124 31.120 73.399 1.00 60.14 O ATOM 1080 CB GLN A 69 2.599 33.473 73.335 1.00 21.15 C ATOM 1081 CG GLN A 69 2.706 33.213 74.829 1.00 52.22 C ATOM 1082 CD GLN A 69 3.448 31.929 75.146 1.00 34.35 C ATOM 1083 OE1 GLN A 69 4.673 31.918 75.263 1.00 12.11 O ATOM 1084 NE2 GLN A 69 2.706 30.836 75.287 1.00 74.11 N ATOM 0 H GLN A 69 2.649 33.389 70.868 1.00 44.33 H new ATOM 0 HA GLN A 69 2.555 31.378 72.860 1.00 55.43 H new ATOM 0 HB2 GLN A 69 3.586 33.726 72.947 1.00 21.15 H new ATOM 0 HB3 GLN A 69 1.960 34.341 73.171 1.00 21.15 H new ATOM 0 HG2 GLN A 69 3.217 34.050 75.304 1.00 52.22 H new ATOM 0 HG3 GLN A 69 1.705 33.165 75.258 1.00 52.22 H new ATOM 0 HE21 GLN A 69 1.693 30.890 75.182 1.00 74.11 H new ATOM 0 HE22 GLN A 69 3.149 29.943 75.501 1.00 74.11 H new ATOM 1093 N TRP A 70 -0.232 33.121 72.433 1.00 31.21 N ATOM 1094 CA TRP A 70 -1.675 33.089 72.647 1.00 43.02 C ATOM 1095 C TRP A 70 -2.283 31.816 72.066 1.00 71.33 C ATOM 1096 O TRP A 70 -3.340 31.367 72.506 1.00 40.44 O ATOM 1097 CB TRP A 70 -2.331 34.317 72.015 1.00 33.01 C ATOM 1098 CG TRP A 70 -3.619 34.708 72.677 1.00 63.55 C ATOM 1099 CD1 TRP A 70 -4.872 34.274 72.350 1.00 73.33 C ATOM 1100 CD2 TRP A 70 -3.778 35.612 73.774 1.00 73.54 C ATOM 1101 NE1 TRP A 70 -5.801 34.856 73.180 1.00 3.34 N ATOM 1102 CE2 TRP A 70 -5.154 35.680 74.062 1.00 15.54 C ATOM 1103 CE3 TRP A 70 -2.891 36.372 74.544 1.00 24.35 C ATOM 1104 CZ2 TRP A 70 -5.663 36.476 75.086 1.00 70.14 C ATOM 1105 CZ3 TRP A 70 -3.396 37.161 75.558 1.00 12.05 C ATOM 1106 CH2 TRP A 70 -4.772 37.208 75.823 1.00 4.01 C ATOM 0 H TRP A 70 0.106 33.960 71.962 1.00 31.21 H new ATOM 0 HA TRP A 70 -1.859 33.100 73.721 1.00 43.02 H new ATOM 0 HB2 TRP A 70 -1.637 35.156 72.062 1.00 33.01 H new ATOM 0 HB3 TRP A 70 -2.519 34.118 70.960 1.00 33.01 H new ATOM 0 HD1 TRP A 70 -5.099 33.577 71.557 1.00 73.33 H new ATOM 0 HE1 TRP A 70 -6.808 34.699 73.145 1.00 3.34 H new ATOM 0 HE3 TRP A 70 -1.829 36.342 74.348 1.00 24.35 H new ATOM 0 HZ2 TRP A 70 -6.723 36.514 75.291 1.00 70.14 H new ATOM 0 HZ3 TRP A 70 -2.720 37.752 76.157 1.00 12.05 H new ATOM 0 HH2 TRP A 70 -5.136 37.834 76.624 1.00 4.01 H new ATOM 1117 N ALA A 71 -1.608 31.242 71.076 1.00 54.44 N ATOM 1118 CA ALA A 71 -2.081 30.020 70.438 1.00 2.03 C ATOM 1119 C ALA A 71 -2.013 28.837 71.397 1.00 1.31 C ATOM 1120 O ALA A 71 -2.789 27.888 71.285 1.00 44.34 O ATOM 1121 CB ALA A 71 -1.270 29.732 69.183 1.00 32.04 C ATOM 0 H ALA A 71 -0.732 31.603 70.698 1.00 54.44 H new ATOM 0 HA ALA A 71 -3.124 30.167 70.158 1.00 2.03 H new ATOM 0 HB1 ALA A 71 -1.634 28.817 68.717 1.00 32.04 H new ATOM 0 HB2 ALA A 71 -1.374 30.562 68.484 1.00 32.04 H new ATOM 0 HB3 ALA A 71 -0.220 29.611 69.448 1.00 32.04 H new ATOM 1127 N LYS A 72 -1.079 28.899 72.340 1.00 70.44 N ATOM 1128 CA LYS A 72 -0.908 27.833 73.320 1.00 50.12 C ATOM 1129 C LYS A 72 -2.249 27.435 73.929 1.00 13.11 C ATOM 1130 O LYS A 72 -2.485 26.262 74.216 1.00 21.03 O ATOM 1131 CB LYS A 72 0.053 28.277 74.425 1.00 52.14 C ATOM 1132 CG LYS A 72 0.974 27.172 74.911 1.00 1.23 C ATOM 1133 CD LYS A 72 2.382 27.338 74.364 1.00 2.04 C ATOM 1134 CE LYS A 72 2.505 26.767 72.959 1.00 21.14 C ATOM 1135 NZ LYS A 72 3.171 25.435 72.957 1.00 13.21 N ATOM 0 H LYS A 72 -0.428 29.677 72.446 1.00 70.44 H new ATOM 0 HA LYS A 72 -0.488 26.967 72.808 1.00 50.12 H new ATOM 0 HB2 LYS A 72 0.657 29.107 74.058 1.00 52.14 H new ATOM 0 HB3 LYS A 72 -0.526 28.653 75.269 1.00 52.14 H new ATOM 0 HG2 LYS A 72 1.003 27.175 76.001 1.00 1.23 H new ATOM 0 HG3 LYS A 72 0.576 26.205 74.605 1.00 1.23 H new ATOM 0 HD2 LYS A 72 2.647 28.395 74.353 1.00 2.04 H new ATOM 0 HD3 LYS A 72 3.091 26.839 75.024 1.00 2.04 H new ATOM 0 HE2 LYS A 72 1.513 26.678 72.515 1.00 21.14 H new ATOM 0 HE3 LYS A 72 3.072 27.457 72.335 1.00 21.14 H new ATOM 0 HZ1 LYS A 72 3.235 25.081 71.981 1.00 13.21 H new ATOM 0 HZ2 LYS A 72 4.127 25.524 73.357 1.00 13.21 H new ATOM 0 HZ3 LYS A 72 2.616 24.769 73.531 1.00 13.21 H new ATOM 1149 N GLN A 73 -3.122 28.418 74.121 1.00 13.40 N ATOM 1150 CA GLN A 73 -4.438 28.167 74.695 1.00 34.24 C ATOM 1151 C GLN A 73 -5.140 27.022 73.972 1.00 72.52 C ATOM 1152 O GLN A 73 -5.417 25.978 74.562 1.00 44.11 O ATOM 1153 CB GLN A 73 -5.298 29.432 74.626 1.00 62.12 C ATOM 1154 CG GLN A 73 -5.160 30.328 75.846 1.00 71.13 C ATOM 1155 CD GLN A 73 -6.498 30.691 76.458 1.00 1.52 C ATOM 1156 OE1 GLN A 73 -7.548 30.502 75.842 1.00 41.25 O ATOM 1157 NE2 GLN A 73 -6.469 31.214 77.679 1.00 31.42 N ATOM 0 H GLN A 73 -2.942 29.395 73.888 1.00 13.40 H new ATOM 0 HA GLN A 73 -4.302 27.884 75.739 1.00 34.24 H new ATOM 0 HB2 GLN A 73 -5.025 29.999 73.736 1.00 62.12 H new ATOM 0 HB3 GLN A 73 -6.343 29.145 74.513 1.00 62.12 H new ATOM 0 HG2 GLN A 73 -4.547 29.825 76.594 1.00 71.13 H new ATOM 0 HG3 GLN A 73 -4.634 31.240 75.564 1.00 71.13 H new ATOM 0 HE21 GLN A 73 -5.577 31.353 78.153 1.00 31.42 H new ATOM 0 HE22 GLN A 73 -7.339 31.476 78.142 1.00 31.42 H new ATOM 1166 N HIS A 74 -5.424 27.226 72.689 1.00 23.03 N ATOM 1167 CA HIS A 74 -6.092 26.210 71.884 1.00 33.43 C ATOM 1168 C HIS A 74 -5.440 26.089 70.510 1.00 42.21 C ATOM 1169 O HIS A 74 -5.031 25.003 70.101 1.00 65.34 O ATOM 1170 CB HIS A 74 -7.576 26.547 71.728 1.00 1.02 C ATOM 1171 CG HIS A 74 -8.475 25.698 72.572 1.00 1.32 C ATOM 1172 ND1 HIS A 74 -9.660 25.165 72.110 1.00 24.32 N ATOM 1173 CD2 HIS A 74 -8.357 25.289 73.857 1.00 54.13 C ATOM 1174 CE1 HIS A 74 -10.232 24.466 73.073 1.00 52.34 C ATOM 1175 NE2 HIS A 74 -9.461 24.525 74.145 1.00 23.12 N ATOM 0 H HIS A 74 -5.202 28.085 72.185 1.00 23.03 H new ATOM 0 HA HIS A 74 -5.995 25.254 72.398 1.00 33.43 H new ATOM 0 HB2 HIS A 74 -7.731 27.594 71.986 1.00 1.02 H new ATOM 0 HB3 HIS A 74 -7.858 26.432 70.682 1.00 1.02 H new ATOM 0 HD2 HIS A 74 -7.545 25.521 74.531 1.00 54.13 H new ATOM 0 HE1 HIS A 74 -11.170 23.936 72.998 1.00 52.34 H new ATOM 0 HE2 HIS A 74 -9.655 24.076 75.040 1.00 23.12 H new ATOM 1183 N GLY A 75 -5.345 27.211 69.804 1.00 44.31 N ATOM 1184 CA GLY A 75 -4.741 27.208 68.484 1.00 10.12 C ATOM 1185 C GLY A 75 -5.773 27.259 67.374 1.00 34.01 C ATOM 1186 O GLY A 75 -5.453 27.033 66.206 1.00 15.11 O ATOM 0 H GLY A 75 -5.675 28.122 70.122 1.00 44.31 H new ATOM 0 HA2 GLY A 75 -4.071 28.063 68.392 1.00 10.12 H new ATOM 0 HA3 GLY A 75 -4.132 26.312 68.369 1.00 10.12 H new ATOM 1190 N THR A 76 -7.017 27.555 67.739 1.00 21.32 N ATOM 1191 CA THR A 76 -8.101 27.632 66.766 1.00 43.45 C ATOM 1192 C THR A 76 -8.365 29.075 66.351 1.00 14.02 C ATOM 1193 O THR A 76 -8.268 29.437 65.179 1.00 20.23 O ATOM 1194 CB THR A 76 -9.400 27.023 67.324 1.00 25.44 C ATOM 1195 OG1 THR A 76 -10.445 28.003 67.313 1.00 64.43 O ATOM 1196 CG2 THR A 76 -9.193 26.511 68.741 1.00 20.10 C ATOM 0 H THR A 76 -7.299 27.745 68.701 1.00 21.32 H new ATOM 0 HA THR A 76 -7.786 27.059 65.894 1.00 43.45 H new ATOM 0 HB THR A 76 -9.683 26.183 66.689 1.00 25.44 H new ATOM 0 HG1 THR A 76 -11.268 27.607 67.668 1.00 64.43 H new ATOM 0 HG21 THR A 76 -10.125 26.085 69.114 1.00 20.10 H new ATOM 0 HG22 THR A 76 -8.418 25.744 68.741 1.00 20.10 H new ATOM 0 HG23 THR A 76 -8.888 27.336 69.385 1.00 20.10 H new ATOM 1204 N PRO A 77 -8.707 29.920 67.335 1.00 13.13 N ATOM 1205 CA PRO A 77 -8.992 31.339 67.096 1.00 1.34 C ATOM 1206 C PRO A 77 -7.741 32.126 66.721 1.00 73.02 C ATOM 1207 O PRO A 77 -7.803 33.143 66.030 1.00 40.44 O ATOM 1208 CB PRO A 77 -9.544 31.821 68.439 1.00 14.34 C ATOM 1209 CG PRO A 77 -8.962 30.889 69.445 1.00 44.44 C ATOM 1210 CD PRO A 77 -8.842 29.557 68.755 1.00 55.41 C ATOM 0 HA PRO A 77 -9.679 31.482 66.262 1.00 1.34 H new ATOM 0 HB2 PRO A 77 -9.253 32.852 68.640 1.00 14.34 H new ATOM 0 HB3 PRO A 77 -10.633 31.789 68.454 1.00 14.34 H new ATOM 0 HG2 PRO A 77 -7.988 31.241 69.786 1.00 44.44 H new ATOM 0 HG3 PRO A 77 -9.601 30.816 70.325 1.00 44.44 H new ATOM 0 HD2 PRO A 77 -7.977 28.997 69.111 1.00 55.41 H new ATOM 0 HD3 PRO A 77 -9.719 28.934 68.929 1.00 55.41 H new ATOM 1218 N PRO A 78 -6.578 31.646 67.186 1.00 25.41 N ATOM 1219 CA PRO A 78 -5.290 32.290 66.910 1.00 72.52 C ATOM 1220 C PRO A 78 -4.875 32.155 65.449 1.00 70.42 C ATOM 1221 O PRO A 78 -4.675 31.047 64.949 1.00 35.30 O ATOM 1222 CB PRO A 78 -4.314 31.534 67.815 1.00 33.45 C ATOM 1223 CG PRO A 78 -4.945 30.199 68.021 1.00 75.52 C ATOM 1224 CD PRO A 78 -6.430 30.438 68.015 1.00 61.14 C ATOM 0 HA PRO A 78 -5.323 33.363 67.098 1.00 72.52 H new ATOM 0 HB2 PRO A 78 -3.333 31.441 67.349 1.00 33.45 H new ATOM 0 HB3 PRO A 78 -4.169 32.054 68.762 1.00 33.45 H new ATOM 0 HG2 PRO A 78 -4.658 29.505 67.231 1.00 75.52 H new ATOM 0 HG3 PRO A 78 -4.625 29.757 68.965 1.00 75.52 H new ATOM 0 HD2 PRO A 78 -6.971 29.592 67.592 1.00 61.14 H new ATOM 0 HD3 PRO A 78 -6.816 30.592 69.023 1.00 61.14 H new ATOM 1232 N THR A 79 -4.747 33.290 64.768 1.00 44.14 N ATOM 1233 CA THR A 79 -4.356 33.298 63.363 1.00 12.12 C ATOM 1234 C THR A 79 -4.015 34.708 62.896 1.00 22.43 C ATOM 1235 O THR A 79 -4.268 35.684 63.602 1.00 45.13 O ATOM 1236 CB THR A 79 -5.471 32.727 62.468 1.00 24.55 C ATOM 1237 OG1 THR A 79 -5.057 32.751 61.096 1.00 22.11 O ATOM 1238 CG2 THR A 79 -6.756 33.524 62.628 1.00 54.01 C ATOM 0 H THR A 79 -4.908 34.215 65.166 1.00 44.14 H new ATOM 0 HA THR A 79 -3.472 32.667 63.276 1.00 12.12 H new ATOM 0 HB THR A 79 -5.661 31.698 62.773 1.00 24.55 H new ATOM 0 HG1 THR A 79 -5.770 32.385 60.533 1.00 22.11 H new ATOM 0 HG21 THR A 79 -7.529 33.101 61.986 1.00 54.01 H new ATOM 0 HG22 THR A 79 -7.084 33.481 63.667 1.00 54.01 H new ATOM 0 HG23 THR A 79 -6.578 34.562 62.347 1.00 54.01 H new ATOM 1246 N ALA A 80 -3.442 34.807 61.701 1.00 62.42 N ATOM 1247 CA ALA A 80 -3.070 36.100 61.138 1.00 45.34 C ATOM 1248 C ALA A 80 -4.234 37.083 61.203 1.00 45.11 C ATOM 1249 O ALA A 80 -4.031 38.292 61.308 1.00 31.11 O ATOM 1250 CB ALA A 80 -2.596 35.932 59.702 1.00 65.42 C ATOM 0 H ALA A 80 -3.225 34.009 61.104 1.00 62.42 H new ATOM 0 HA ALA A 80 -2.253 36.507 61.733 1.00 45.34 H new ATOM 0 HB1 ALA A 80 -2.321 36.904 59.293 1.00 65.42 H new ATOM 0 HB2 ALA A 80 -1.729 35.271 59.680 1.00 65.42 H new ATOM 0 HB3 ALA A 80 -3.397 35.500 59.103 1.00 65.42 H new ATOM 1256 N SER A 81 -5.451 36.555 61.137 1.00 21.31 N ATOM 1257 CA SER A 81 -6.648 37.387 61.184 1.00 20.45 C ATOM 1258 C SER A 81 -6.944 37.834 62.611 1.00 15.24 C ATOM 1259 O SER A 81 -6.977 39.029 62.905 1.00 71.25 O ATOM 1260 CB SER A 81 -7.848 36.625 60.617 1.00 4.42 C ATOM 1261 OG SER A 81 -7.745 36.486 59.210 1.00 22.33 O ATOM 0 H SER A 81 -5.635 35.555 61.051 1.00 21.31 H new ATOM 0 HA SER A 81 -6.468 38.273 60.575 1.00 20.45 H new ATOM 0 HB2 SER A 81 -7.909 35.640 61.079 1.00 4.42 H new ATOM 0 HB3 SER A 81 -8.769 37.152 60.867 1.00 4.42 H new ATOM 0 HG SER A 81 -8.523 35.994 58.872 1.00 22.33 H new ATOM 1267 N ASP A 82 -7.160 36.866 63.495 1.00 60.44 N ATOM 1268 CA ASP A 82 -7.452 37.158 64.893 1.00 55.23 C ATOM 1269 C ASP A 82 -6.398 38.089 65.486 1.00 41.12 C ATOM 1270 O ASP A 82 -6.724 39.130 66.056 1.00 62.15 O ATOM 1271 CB ASP A 82 -7.520 35.863 65.704 1.00 64.22 C ATOM 1272 CG ASP A 82 -8.944 35.451 66.018 1.00 34.15 C ATOM 1273 OD1 ASP A 82 -9.780 35.444 65.089 1.00 65.03 O ATOM 1274 OD2 ASP A 82 -9.225 35.135 67.193 1.00 3.12 O ATOM 0 H ASP A 82 -7.138 35.872 63.268 1.00 60.44 H new ATOM 0 HA ASP A 82 -8.420 37.658 64.939 1.00 55.23 H new ATOM 0 HB2 ASP A 82 -7.028 35.064 65.149 1.00 64.22 H new ATOM 0 HB3 ASP A 82 -6.968 35.992 66.635 1.00 64.22 H new ATOM 1279 N VAL A 83 -5.133 37.705 65.349 1.00 4.23 N ATOM 1280 CA VAL A 83 -4.030 38.504 65.872 1.00 24.41 C ATOM 1281 C VAL A 83 -4.211 39.979 65.529 1.00 51.42 C ATOM 1282 O VAL A 83 -3.682 40.855 66.213 1.00 72.24 O ATOM 1283 CB VAL A 83 -2.676 38.022 65.317 1.00 12.02 C ATOM 1284 CG1 VAL A 83 -1.535 38.823 65.926 1.00 2.12 C ATOM 1285 CG2 VAL A 83 -2.494 36.534 65.578 1.00 62.15 C ATOM 0 H VAL A 83 -4.846 36.846 64.880 1.00 4.23 H new ATOM 0 HA VAL A 83 -4.035 38.382 66.955 1.00 24.41 H new ATOM 0 HB VAL A 83 -2.665 38.182 64.239 1.00 12.02 H new ATOM 0 HG11 VAL A 83 -0.586 38.469 65.523 1.00 2.12 H new ATOM 0 HG12 VAL A 83 -1.661 39.878 65.684 1.00 2.12 H new ATOM 0 HG13 VAL A 83 -1.539 38.696 67.009 1.00 2.12 H new ATOM 0 HG21 VAL A 83 -1.533 36.210 65.180 1.00 62.15 H new ATOM 0 HG22 VAL A 83 -2.524 36.347 66.651 1.00 62.15 H new ATOM 0 HG23 VAL A 83 -3.295 35.978 65.090 1.00 62.15 H new ATOM 1295 N VAL A 84 -4.964 40.246 64.466 1.00 40.33 N ATOM 1296 CA VAL A 84 -5.216 41.615 64.033 1.00 55.55 C ATOM 1297 C VAL A 84 -5.751 42.464 65.181 1.00 73.14 C ATOM 1298 O VAL A 84 -5.086 43.391 65.644 1.00 73.04 O ATOM 1299 CB VAL A 84 -6.220 41.659 62.866 1.00 60.01 C ATOM 1300 CG1 VAL A 84 -6.530 43.098 62.482 1.00 64.15 C ATOM 1301 CG2 VAL A 84 -5.683 40.884 61.673 1.00 4.24 C ATOM 0 H VAL A 84 -5.410 39.532 63.889 1.00 40.33 H new ATOM 0 HA VAL A 84 -4.262 42.022 63.697 1.00 55.55 H new ATOM 0 HB VAL A 84 -7.148 41.187 63.189 1.00 60.01 H new ATOM 0 HG11 VAL A 84 -7.241 43.109 61.656 1.00 64.15 H new ATOM 0 HG12 VAL A 84 -6.960 43.618 63.338 1.00 64.15 H new ATOM 0 HG13 VAL A 84 -5.611 43.599 62.177 1.00 64.15 H new ATOM 0 HG21 VAL A 84 -6.405 40.925 60.857 1.00 4.24 H new ATOM 0 HG22 VAL A 84 -4.741 41.325 61.347 1.00 4.24 H new ATOM 0 HG23 VAL A 84 -5.517 39.845 61.959 1.00 4.24 H new ATOM 1311 N GLY A 85 -6.957 42.142 65.638 1.00 24.42 N ATOM 1312 CA GLY A 85 -7.561 42.884 66.729 1.00 23.53 C ATOM 1313 C GLY A 85 -7.676 42.061 67.996 1.00 33.02 C ATOM 1314 O GLY A 85 -8.251 42.512 68.986 1.00 53.13 O ATOM 0 H GLY A 85 -7.527 41.380 65.272 1.00 24.42 H new ATOM 0 HA2 GLY A 85 -6.967 43.775 66.931 1.00 23.53 H new ATOM 0 HA3 GLY A 85 -8.552 43.223 66.429 1.00 23.53 H new ATOM 1318 N MET A 86 -7.130 40.850 67.965 1.00 10.03 N ATOM 1319 CA MET A 86 -7.174 39.962 69.121 1.00 34.11 C ATOM 1320 C MET A 86 -6.364 40.536 70.279 1.00 52.34 C ATOM 1321 O MET A 86 -6.842 40.648 71.407 1.00 15.32 O ATOM 1322 CB MET A 86 -6.642 38.577 68.748 1.00 34.35 C ATOM 1323 CG MET A 86 -6.201 37.753 69.946 1.00 12.44 C ATOM 1324 SD MET A 86 -7.016 36.146 70.022 1.00 71.01 S ATOM 1325 CE MET A 86 -5.744 35.089 69.336 1.00 22.13 C ATOM 0 H MET A 86 -6.652 40.461 67.152 1.00 10.03 H new ATOM 0 HA MET A 86 -8.213 39.871 69.438 1.00 34.11 H new ATOM 0 HB2 MET A 86 -7.417 38.032 68.208 1.00 34.35 H new ATOM 0 HB3 MET A 86 -5.799 38.692 68.066 1.00 34.35 H new ATOM 0 HG2 MET A 86 -5.122 37.607 69.904 1.00 12.44 H new ATOM 0 HG3 MET A 86 -6.412 38.307 70.861 1.00 12.44 H new ATOM 0 HE1 MET A 86 -5.979 34.048 69.556 1.00 22.13 H new ATOM 0 HE2 MET A 86 -5.697 35.230 68.256 1.00 22.13 H new ATOM 0 HE3 MET A 86 -4.781 35.345 69.778 1.00 22.13 H new ATOM 1335 N PRO A 87 -5.107 40.909 69.995 1.00 34.21 N ATOM 1336 CA PRO A 87 -4.204 41.478 71.000 1.00 53.11 C ATOM 1337 C PRO A 87 -4.626 42.878 71.433 1.00 40.30 C ATOM 1338 O PRO A 87 -5.612 43.420 70.934 1.00 14.22 O ATOM 1339 CB PRO A 87 -2.855 41.525 70.279 1.00 21.22 C ATOM 1340 CG PRO A 87 -3.201 41.595 68.832 1.00 12.15 C ATOM 1341 CD PRO A 87 -4.471 40.805 68.672 1.00 21.43 C ATOM 0 HA PRO A 87 -4.192 40.889 71.917 1.00 53.11 H new ATOM 0 HB2 PRO A 87 -2.271 42.391 70.589 1.00 21.22 H new ATOM 0 HB3 PRO A 87 -2.257 40.641 70.501 1.00 21.22 H new ATOM 0 HG2 PRO A 87 -3.341 42.628 68.514 1.00 12.15 H new ATOM 0 HG3 PRO A 87 -2.402 41.178 68.219 1.00 12.15 H new ATOM 0 HD2 PRO A 87 -5.105 41.218 67.888 1.00 21.43 H new ATOM 0 HD3 PRO A 87 -4.268 39.768 68.404 1.00 21.43 H new ATOM 1349 N GLN A 88 -3.873 43.458 72.362 1.00 12.33 N ATOM 1350 CA GLN A 88 -4.171 44.795 72.861 1.00 41.34 C ATOM 1351 C GLN A 88 -3.602 45.862 71.931 1.00 44.54 C ATOM 1352 O GLN A 88 -4.203 46.919 71.741 1.00 10.54 O ATOM 1353 CB GLN A 88 -3.604 44.973 74.271 1.00 73.44 C ATOM 1354 CG GLN A 88 -2.085 44.930 74.326 1.00 32.25 C ATOM 1355 CD GLN A 88 -1.550 45.009 75.741 1.00 52.13 C ATOM 1356 OE1 GLN A 88 -2.057 44.347 76.647 1.00 53.44 O ATOM 1357 NE2 GLN A 88 -0.520 45.823 75.941 1.00 40.05 N ATOM 0 H GLN A 88 -3.053 43.023 72.784 1.00 12.33 H new ATOM 0 HA GLN A 88 -5.254 44.911 72.896 1.00 41.34 H new ATOM 0 HB2 GLN A 88 -3.947 45.926 74.674 1.00 73.44 H new ATOM 0 HB3 GLN A 88 -4.005 44.191 74.916 1.00 73.44 H new ATOM 0 HG2 GLN A 88 -1.734 44.009 73.860 1.00 32.25 H new ATOM 0 HG3 GLN A 88 -1.681 45.757 73.742 1.00 32.25 H new ATOM 0 HE21 GLN A 88 -0.130 46.353 75.162 1.00 40.05 H new ATOM 0 HE22 GLN A 88 -0.119 45.918 76.874 1.00 40.05 H new ATOM 1366 N TRP A 89 -2.439 45.578 71.356 1.00 30.12 N ATOM 1367 CA TRP A 89 -1.788 46.514 70.447 1.00 22.40 C ATOM 1368 C TRP A 89 -2.801 47.143 69.496 1.00 23.11 C ATOM 1369 O TRP A 89 -2.695 48.321 69.154 1.00 4.45 O ATOM 1370 CB TRP A 89 -0.694 45.803 69.648 1.00 61.00 C ATOM 1371 CG TRP A 89 -1.177 45.246 68.343 1.00 50.34 C ATOM 1372 CD1 TRP A 89 -1.464 43.939 68.067 1.00 74.11 C ATOM 1373 CD2 TRP A 89 -1.427 45.978 67.139 1.00 32.03 C ATOM 1374 NE1 TRP A 89 -1.878 43.815 66.762 1.00 13.32 N ATOM 1375 CE2 TRP A 89 -1.865 45.051 66.172 1.00 73.13 C ATOM 1376 CE3 TRP A 89 -1.326 47.325 66.783 1.00 5.01 C ATOM 1377 CZ2 TRP A 89 -2.199 45.431 64.875 1.00 51.20 C ATOM 1378 CZ3 TRP A 89 -1.658 47.700 65.495 1.00 72.44 C ATOM 1379 CH2 TRP A 89 -2.091 46.757 64.554 1.00 62.51 C ATOM 0 H TRP A 89 -1.928 44.708 71.503 1.00 30.12 H new ATOM 0 HA TRP A 89 -1.336 47.307 71.043 1.00 22.40 H new ATOM 0 HB2 TRP A 89 0.119 46.503 69.457 1.00 61.00 H new ATOM 0 HB3 TRP A 89 -0.283 44.993 70.250 1.00 61.00 H new ATOM 0 HD1 TRP A 89 -1.378 43.124 68.770 1.00 74.11 H new ATOM 0 HE1 TRP A 89 -2.151 42.944 66.307 1.00 13.32 H new ATOM 0 HE3 TRP A 89 -0.994 48.060 67.501 1.00 5.01 H new ATOM 0 HZ2 TRP A 89 -2.532 44.705 64.148 1.00 51.20 H new ATOM 0 HZ3 TRP A 89 -1.582 48.739 65.209 1.00 72.44 H new ATOM 0 HH2 TRP A 89 -2.344 47.083 63.556 1.00 62.51 H new ATOM 1390 N GLN A 90 -3.781 46.351 69.074 1.00 33.14 N ATOM 1391 CA GLN A 90 -4.812 46.832 68.163 1.00 23.31 C ATOM 1392 C GLN A 90 -5.604 47.974 68.790 1.00 32.01 C ATOM 1393 O GLN A 90 -5.872 48.985 68.142 1.00 72.44 O ATOM 1394 CB GLN A 90 -5.757 45.691 67.780 1.00 60.23 C ATOM 1395 CG GLN A 90 -6.987 46.151 67.015 1.00 2.03 C ATOM 1396 CD GLN A 90 -8.269 45.956 67.800 1.00 2.12 C ATOM 1397 OE1 GLN A 90 -8.317 45.173 68.750 1.00 62.23 O ATOM 1398 NE2 GLN A 90 -9.319 46.667 67.407 1.00 60.32 N ATOM 0 H GLN A 90 -3.883 45.374 69.348 1.00 33.14 H new ATOM 0 HA GLN A 90 -4.321 47.205 67.264 1.00 23.31 H new ATOM 0 HB2 GLN A 90 -5.212 44.967 67.174 1.00 60.23 H new ATOM 0 HB3 GLN A 90 -6.075 45.174 68.685 1.00 60.23 H new ATOM 0 HG2 GLN A 90 -6.878 47.205 66.760 1.00 2.03 H new ATOM 0 HG3 GLN A 90 -7.053 45.601 66.076 1.00 2.03 H new ATOM 0 HE21 GLN A 90 -9.236 47.304 66.615 1.00 60.32 H new ATOM 0 HE22 GLN A 90 -10.209 46.576 67.897 1.00 60.32 H new ATOM 1407 N GLU A 91 -5.976 47.805 70.055 1.00 44.24 N ATOM 1408 CA GLU A 91 -6.738 48.822 70.770 1.00 61.42 C ATOM 1409 C GLU A 91 -5.824 49.936 71.270 1.00 62.42 C ATOM 1410 O GLU A 91 -6.055 51.115 70.995 1.00 4.11 O ATOM 1411 CB GLU A 91 -7.488 48.197 71.947 1.00 0.31 C ATOM 1412 CG GLU A 91 -8.988 48.442 71.914 1.00 62.24 C ATOM 1413 CD GLU A 91 -9.721 47.726 73.031 1.00 22.32 C ATOM 1414 OE1 GLU A 91 -9.929 46.500 72.913 1.00 35.42 O ATOM 1415 OE2 GLU A 91 -10.086 48.391 74.022 1.00 74.15 O ATOM 0 H GLU A 91 -5.762 46.973 70.606 1.00 44.24 H new ATOM 0 HA GLU A 91 -7.460 49.252 70.076 1.00 61.42 H new ATOM 0 HB2 GLU A 91 -7.304 47.123 71.954 1.00 0.31 H new ATOM 0 HB3 GLU A 91 -7.084 48.596 72.877 1.00 0.31 H new ATOM 0 HG2 GLU A 91 -9.179 49.513 71.987 1.00 62.24 H new ATOM 0 HG3 GLU A 91 -9.385 48.112 70.954 1.00 62.24 H new ATOM 1422 N TYR A 92 -4.784 49.555 72.004 1.00 72.32 N ATOM 1423 CA TYR A 92 -3.836 50.522 72.545 1.00 44.34 C ATOM 1424 C TYR A 92 -3.394 51.512 71.471 1.00 11.21 C ATOM 1425 O TYR A 92 -3.581 52.721 71.609 1.00 13.01 O ATOM 1426 CB TYR A 92 -2.616 49.802 73.123 1.00 32.12 C ATOM 1427 CG TYR A 92 -2.553 49.836 74.634 1.00 25.34 C ATOM 1428 CD1 TYR A 92 -2.204 50.998 75.308 1.00 13.22 C ATOM 1429 CD2 TYR A 92 -2.844 48.704 75.385 1.00 1.53 C ATOM 1430 CE1 TYR A 92 -2.144 51.033 76.688 1.00 61.53 C ATOM 1431 CE2 TYR A 92 -2.788 48.730 76.766 1.00 43.20 C ATOM 1432 CZ TYR A 92 -2.437 49.897 77.412 1.00 1.24 C ATOM 1433 OH TYR A 92 -2.380 49.927 78.787 1.00 5.10 O ATOM 0 H TYR A 92 -4.576 48.584 72.238 1.00 72.32 H new ATOM 0 HA TYR A 92 -4.335 51.076 73.341 1.00 44.34 H new ATOM 0 HB2 TYR A 92 -2.626 48.764 72.791 1.00 32.12 H new ATOM 0 HB3 TYR A 92 -1.711 50.257 72.720 1.00 32.12 H new ATOM 0 HD1 TYR A 92 -1.975 51.890 74.744 1.00 13.22 H new ATOM 0 HD2 TYR A 92 -3.118 47.789 74.882 1.00 1.53 H new ATOM 0 HE1 TYR A 92 -1.869 51.945 77.197 1.00 61.53 H new ATOM 0 HE2 TYR A 92 -3.018 47.842 77.336 1.00 43.20 H new ATOM 0 HH TYR A 92 -2.616 49.045 79.144 1.00 5.10 H new ATOM 1443 N THR A 93 -2.807 50.990 70.399 1.00 61.20 N ATOM 1444 CA THR A 93 -2.338 51.825 69.301 1.00 41.13 C ATOM 1445 C THR A 93 -3.372 52.883 68.935 1.00 13.04 C ATOM 1446 O THR A 93 -3.035 53.929 68.381 1.00 54.35 O ATOM 1447 CB THR A 93 -2.016 50.983 68.052 1.00 52.15 C ATOM 1448 OG1 THR A 93 -1.429 51.811 67.042 1.00 2.14 O ATOM 1449 CG2 THR A 93 -3.273 50.323 67.507 1.00 11.44 C ATOM 0 H THR A 93 -2.645 49.992 70.268 1.00 61.20 H new ATOM 0 HA THR A 93 -1.427 52.315 69.644 1.00 41.13 H new ATOM 0 HB THR A 93 -1.310 50.203 68.337 1.00 52.15 H new ATOM 0 HG1 THR A 93 -1.226 51.268 66.252 1.00 2.14 H new ATOM 0 HG21 THR A 93 -3.021 49.734 66.625 1.00 11.44 H new ATOM 0 HG22 THR A 93 -3.701 49.672 68.269 1.00 11.44 H new ATOM 0 HG23 THR A 93 -3.998 51.090 67.236 1.00 11.44 H new ATOM 1457 N ALA A 94 -4.633 52.604 69.246 1.00 53.11 N ATOM 1458 CA ALA A 94 -5.717 53.533 68.952 1.00 72.50 C ATOM 1459 C ALA A 94 -5.826 54.608 70.029 1.00 32.42 C ATOM 1460 O ALA A 94 -5.980 55.791 69.725 1.00 5.22 O ATOM 1461 CB ALA A 94 -7.034 52.784 68.817 1.00 2.42 C ATOM 0 H ALA A 94 -4.930 51.741 69.702 1.00 53.11 H new ATOM 0 HA ALA A 94 -5.493 54.025 68.005 1.00 72.50 H new ATOM 0 HB1 ALA A 94 -7.834 53.491 68.598 1.00 2.42 H new ATOM 0 HB2 ALA A 94 -6.959 52.059 68.007 1.00 2.42 H new ATOM 0 HB3 ALA A 94 -7.255 52.265 69.750 1.00 2.42 H new ATOM 1467 N MET A 95 -5.747 54.189 71.287 1.00 4.12 N ATOM 1468 CA MET A 95 -5.837 55.117 72.409 1.00 25.14 C ATOM 1469 C MET A 95 -4.769 56.199 72.304 1.00 55.25 C ATOM 1470 O MET A 95 -4.911 57.284 72.873 1.00 23.43 O ATOM 1471 CB MET A 95 -5.690 54.364 73.733 1.00 34.32 C ATOM 1472 CG MET A 95 -6.833 54.614 74.703 1.00 32.00 C ATOM 1473 SD MET A 95 -6.753 53.553 76.159 1.00 51.03 S ATOM 1474 CE MET A 95 -8.347 53.883 76.907 1.00 3.02 C ATOM 0 H MET A 95 -5.621 53.213 71.556 1.00 4.12 H new ATOM 0 HA MET A 95 -6.817 55.594 72.378 1.00 25.14 H new ATOM 0 HB2 MET A 95 -5.625 53.295 73.529 1.00 34.32 H new ATOM 0 HB3 MET A 95 -4.752 54.656 74.206 1.00 34.32 H new ATOM 0 HG2 MET A 95 -6.816 55.658 75.017 1.00 32.00 H new ATOM 0 HG3 MET A 95 -7.781 54.451 74.191 1.00 32.00 H new ATOM 0 HE1 MET A 95 -8.448 53.298 77.821 1.00 3.02 H new ATOM 0 HE2 MET A 95 -8.425 54.944 77.145 1.00 3.02 H new ATOM 0 HE3 MET A 95 -9.139 53.608 76.211 1.00 3.02 H new ATOM 1484 N LEU A 96 -3.698 55.901 71.577 1.00 0.21 N ATOM 1485 CA LEU A 96 -2.605 56.850 71.399 1.00 53.54 C ATOM 1486 C LEU A 96 -3.051 58.044 70.562 1.00 43.43 C ATOM 1487 O LEU A 96 -2.973 59.190 71.006 1.00 62.01 O ATOM 1488 CB LEU A 96 -1.410 56.163 70.734 1.00 24.31 C ATOM 1489 CG LEU A 96 -1.096 54.746 71.214 1.00 34.35 C ATOM 1490 CD1 LEU A 96 0.045 54.148 70.407 1.00 34.51 C ATOM 1491 CD2 LEU A 96 -0.759 54.749 72.697 1.00 52.51 C ATOM 0 H LEU A 96 -3.563 55.009 71.101 1.00 0.21 H new ATOM 0 HA LEU A 96 -2.307 57.212 72.383 1.00 53.54 H new ATOM 0 HB2 LEU A 96 -1.588 56.130 69.659 1.00 24.31 H new ATOM 0 HB3 LEU A 96 -0.527 56.782 70.892 1.00 24.31 H new ATOM 0 HG LEU A 96 -1.981 54.128 71.064 1.00 34.35 H new ATOM 0 HD11 LEU A 96 0.253 53.139 70.764 1.00 34.51 H new ATOM 0 HD12 LEU A 96 -0.235 54.110 69.354 1.00 34.51 H new ATOM 0 HD13 LEU A 96 0.936 54.765 70.524 1.00 34.51 H new ATOM 0 HD21 LEU A 96 -0.538 53.732 73.022 1.00 52.51 H new ATOM 0 HD22 LEU A 96 0.111 55.383 72.871 1.00 52.51 H new ATOM 0 HD23 LEU A 96 -1.608 55.134 73.262 1.00 52.51 H new ATOM 1503 N ARG A 97 -3.520 57.768 69.350 1.00 32.32 N ATOM 1504 CA ARG A 97 -3.980 58.819 68.451 1.00 34.43 C ATOM 1505 C ARG A 97 -5.337 59.359 68.896 1.00 64.35 C ATOM 1506 O ARG A 97 -5.655 60.526 68.666 1.00 11.45 O ATOM 1507 CB ARG A 97 -4.075 58.290 67.018 1.00 54.20 C ATOM 1508 CG ARG A 97 -4.940 57.048 66.884 1.00 0.42 C ATOM 1509 CD ARG A 97 -4.223 55.950 66.114 1.00 22.44 C ATOM 1510 NE ARG A 97 -4.418 56.077 64.672 1.00 45.10 N ATOM 1511 CZ ARG A 97 -3.926 55.218 63.786 1.00 34.32 C ATOM 1512 NH1 ARG A 97 -3.215 54.175 64.192 1.00 72.23 N ATOM 1513 NH2 ARG A 97 -4.147 55.401 62.490 1.00 12.10 N ATOM 0 H ARG A 97 -3.591 56.825 68.968 1.00 32.32 H new ATOM 0 HA ARG A 97 -3.255 59.633 68.483 1.00 34.43 H new ATOM 0 HB2 ARG A 97 -4.477 59.074 66.376 1.00 54.20 H new ATOM 0 HB3 ARG A 97 -3.072 58.065 66.655 1.00 54.20 H new ATOM 0 HG2 ARG A 97 -5.210 56.682 67.875 1.00 0.42 H new ATOM 0 HG3 ARG A 97 -5.869 57.304 66.375 1.00 0.42 H new ATOM 0 HD2 ARG A 97 -3.157 55.985 66.340 1.00 22.44 H new ATOM 0 HD3 ARG A 97 -4.587 54.978 66.445 1.00 22.44 H new ATOM 0 HE ARG A 97 -4.961 56.868 64.327 1.00 45.10 H new ATOM 0 HH11 ARG A 97 -3.044 54.030 65.187 1.00 72.23 H new ATOM 0 HH12 ARG A 97 -2.839 53.517 63.509 1.00 72.23 H new ATOM 0 HH21 ARG A 97 -4.695 56.201 62.174 1.00 12.10 H new ATOM 0 HH22 ARG A 97 -3.769 54.741 61.810 1.00 12.10 H new ATOM 1527 N GLU A 98 -6.130 58.503 69.531 1.00 71.31 N ATOM 1528 CA GLU A 98 -7.452 58.896 70.006 1.00 5.21 C ATOM 1529 C GLU A 98 -7.345 59.749 71.266 1.00 32.44 C ATOM 1530 O GLU A 98 -7.877 60.858 71.323 1.00 75.14 O ATOM 1531 CB GLU A 98 -8.305 57.656 70.286 1.00 35.41 C ATOM 1532 CG GLU A 98 -9.622 57.969 70.977 1.00 14.40 C ATOM 1533 CD GLU A 98 -10.729 58.312 69.999 1.00 65.44 C ATOM 1534 OE1 GLU A 98 -10.824 59.493 69.604 1.00 73.12 O ATOM 1535 OE2 GLU A 98 -11.498 57.401 69.629 1.00 63.05 O ATOM 0 H GLU A 98 -5.881 57.534 69.729 1.00 71.31 H new ATOM 0 HA GLU A 98 -7.930 59.489 69.227 1.00 5.21 H new ATOM 0 HB2 GLU A 98 -8.510 57.146 69.345 1.00 35.41 H new ATOM 0 HB3 GLU A 98 -7.734 56.964 70.906 1.00 35.41 H new ATOM 0 HG2 GLU A 98 -9.926 57.111 71.577 1.00 14.40 H new ATOM 0 HG3 GLU A 98 -9.478 58.803 71.664 1.00 14.40 H new ATOM 1542 N ARG A 99 -6.657 59.223 72.273 1.00 41.12 N ATOM 1543 CA ARG A 99 -6.482 59.936 73.534 1.00 33.33 C ATOM 1544 C ARG A 99 -5.258 60.845 73.479 1.00 5.53 C ATOM 1545 O ARG A 99 -5.332 62.025 73.823 1.00 44.31 O ATOM 1546 CB ARG A 99 -6.344 58.944 74.690 1.00 24.24 C ATOM 1547 CG ARG A 99 -6.579 59.565 76.057 1.00 24.51 C ATOM 1548 CD ARG A 99 -7.891 59.096 76.664 1.00 54.20 C ATOM 1549 NE ARG A 99 -8.221 59.824 77.887 1.00 43.21 N ATOM 1550 CZ ARG A 99 -9.245 59.514 78.673 1.00 71.13 C ATOM 1551 NH1 ARG A 99 -10.036 58.496 78.367 1.00 1.44 N ATOM 1552 NH2 ARG A 99 -9.480 60.224 79.770 1.00 64.30 N ATOM 0 H ARG A 99 -6.211 58.306 72.241 1.00 41.12 H new ATOM 0 HA ARG A 99 -7.364 60.554 73.699 1.00 33.33 H new ATOM 0 HB2 ARG A 99 -7.052 58.128 74.544 1.00 24.24 H new ATOM 0 HB3 ARG A 99 -5.346 58.507 74.666 1.00 24.24 H new ATOM 0 HG2 ARG A 99 -5.756 59.305 76.722 1.00 24.51 H new ATOM 0 HG3 ARG A 99 -6.586 60.651 75.968 1.00 24.51 H new ATOM 0 HD2 ARG A 99 -8.693 59.226 75.938 1.00 54.20 H new ATOM 0 HD3 ARG A 99 -7.828 58.030 76.883 1.00 54.20 H new ATOM 0 HE ARG A 99 -7.632 60.614 78.151 1.00 43.21 H new ATOM 0 HH11 ARG A 99 -9.859 57.948 77.525 1.00 1.44 H new ATOM 0 HH12 ARG A 99 -10.822 58.261 78.973 1.00 1.44 H new ATOM 0 HH21 ARG A 99 -8.874 61.008 80.009 1.00 64.30 H new ATOM 0 HH22 ARG A 99 -10.267 59.985 80.373 1.00 64.30 H new ATOM 1566 N PHE A 100 -4.132 60.287 73.045 1.00 15.52 N ATOM 1567 CA PHE A 100 -2.892 61.046 72.948 1.00 44.15 C ATOM 1568 C PHE A 100 -2.643 61.849 74.222 1.00 23.54 C ATOM 1569 O PHE A 100 -2.061 62.933 74.181 1.00 15.25 O ATOM 1570 CB PHE A 100 -2.936 61.984 71.740 1.00 74.04 C ATOM 1571 CG PHE A 100 -4.074 62.963 71.785 1.00 31.53 C ATOM 1572 CD1 PHE A 100 -5.318 62.623 71.277 1.00 74.40 C ATOM 1573 CD2 PHE A 100 -3.902 64.224 72.333 1.00 44.32 C ATOM 1574 CE1 PHE A 100 -6.368 63.522 71.316 1.00 2.43 C ATOM 1575 CE2 PHE A 100 -4.948 65.125 72.375 1.00 55.25 C ATOM 1576 CZ PHE A 100 -6.182 64.775 71.865 1.00 11.14 C ATOM 0 H PHE A 100 -4.054 59.312 72.755 1.00 15.52 H new ATOM 0 HA PHE A 100 -2.072 60.339 72.820 1.00 44.15 H new ATOM 0 HB2 PHE A 100 -1.996 62.533 71.682 1.00 74.04 H new ATOM 0 HB3 PHE A 100 -3.014 61.389 70.830 1.00 74.04 H new ATOM 0 HD1 PHE A 100 -5.469 61.644 70.846 1.00 74.40 H new ATOM 0 HD2 PHE A 100 -2.939 64.506 72.732 1.00 44.32 H new ATOM 0 HE1 PHE A 100 -7.333 63.244 70.917 1.00 2.43 H new ATOM 0 HE2 PHE A 100 -4.800 66.104 72.807 1.00 55.25 H new ATOM 0 HZ PHE A 100 -7.000 65.480 71.895 1.00 11.14 H new ATOM 1586 N ALA A 101 -3.088 61.308 75.352 1.00 24.41 N ATOM 1587 CA ALA A 101 -2.914 61.972 76.637 1.00 43.03 C ATOM 1588 C ALA A 101 -1.720 61.399 77.393 1.00 33.13 C ATOM 1589 O ALA A 101 -1.024 62.117 78.110 1.00 33.24 O ATOM 1590 CB ALA A 101 -4.180 61.847 77.471 1.00 51.24 C ATOM 0 H ALA A 101 -3.572 60.411 75.403 1.00 24.41 H new ATOM 0 HA ALA A 101 -2.719 63.028 76.450 1.00 43.03 H new ATOM 0 HB1 ALA A 101 -4.036 62.348 78.428 1.00 51.24 H new ATOM 0 HB2 ALA A 101 -5.012 62.310 76.941 1.00 51.24 H new ATOM 0 HB3 ALA A 101 -4.400 60.793 77.642 1.00 51.24 H new ATOM 1596 N GLY A 102 -1.490 60.100 77.230 1.00 63.41 N ATOM 1597 CA GLY A 102 -0.380 59.453 77.903 1.00 53.22 C ATOM 1598 C GLY A 102 0.934 59.645 77.173 1.00 45.32 C ATOM 1599 O GLY A 102 1.985 59.802 77.798 1.00 12.24 O ATOM 0 H GLY A 102 -2.053 59.484 76.643 1.00 63.41 H new ATOM 0 HA2 GLY A 102 -0.291 59.850 78.914 1.00 53.22 H new ATOM 0 HA3 GLY A 102 -0.588 58.387 77.996 1.00 53.22 H new ATOM 1603 N LEU A 103 0.879 59.631 75.846 1.00 71.03 N ATOM 1604 CA LEU A 103 2.075 59.803 75.029 1.00 61.43 C ATOM 1605 C LEU A 103 2.521 61.262 75.017 1.00 70.23 C ATOM 1606 O LEU A 103 3.455 61.631 74.305 1.00 22.15 O ATOM 1607 CB LEU A 103 1.813 59.328 73.599 1.00 22.13 C ATOM 1608 CG LEU A 103 0.625 59.974 72.883 1.00 51.51 C ATOM 1609 CD1 LEU A 103 1.043 61.282 72.231 1.00 64.31 C ATOM 1610 CD2 LEU A 103 0.043 59.022 71.850 1.00 23.20 C ATOM 0 H LEU A 103 0.019 59.502 75.313 1.00 71.03 H new ATOM 0 HA LEU A 103 2.872 59.201 75.465 1.00 61.43 H new ATOM 0 HB2 LEU A 103 2.710 59.509 73.007 1.00 22.13 H new ATOM 0 HB3 LEU A 103 1.657 58.249 73.619 1.00 22.13 H new ATOM 0 HG LEU A 103 -0.147 60.191 73.622 1.00 51.51 H new ATOM 0 HD11 LEU A 103 0.186 61.727 71.726 1.00 64.31 H new ATOM 0 HD12 LEU A 103 1.411 61.968 72.994 1.00 64.31 H new ATOM 0 HD13 LEU A 103 1.832 61.090 71.504 1.00 64.31 H new ATOM 0 HD21 LEU A 103 -0.801 59.498 71.351 1.00 23.20 H new ATOM 0 HD22 LEU A 103 0.807 58.773 71.113 1.00 23.20 H new ATOM 0 HD23 LEU A 103 -0.295 58.111 72.344 1.00 23.20 H new