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 Single : A 17 LYS NZ :NH3+ 152:sc= -0.0864 (180deg=-0.415) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.195) USER MOD Single : A 37 MET CE :methyl -150:sc= -4.41! (180deg=-5.95!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -3.59! K(o=-3.6!,f=-1.3) USER MOD Single : A 44 HIS : no HD1:sc= -2.23! X(o=-2.2!,f=-1.8) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 57 GLN : amide:sc= -0.0391 K(o=-0.039,f=-1.4!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -29:sc= 0.477 USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0748 X(o=-0.075,f=-0.075) USER MOD Single : A 74 HIS : no HD1:sc= -0.904 K(o=-0.9,f=-0.12) USER MOD Single : A 76 THR OG1 : rot 180:sc= -2.88! USER MOD Single : A 79 THR OG1 : rot -63:sc= -0.149 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 153:sc= -3.56! (180deg=-6.16!) USER MOD Single : A 88 GLN : amide:sc= -0.663! X(o=-0.66!,f=-0.91) USER MOD Single : A 90 GLN : amide:sc= -0.224 K(o=-0.22,f=0.34) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -76:sc= 0.993 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 248 N LYS A 17 16.247 46.911 66.845 1.00 21.25 N ATOM 249 CA LYS A 17 16.289 45.699 66.035 1.00 20.01 C ATOM 250 C LYS A 17 14.881 45.229 65.684 1.00 34.30 C ATOM 251 O LYS A 17 14.545 45.067 64.511 1.00 14.22 O ATOM 252 CB LYS A 17 17.038 44.590 66.777 1.00 3.41 C ATOM 253 CG LYS A 17 16.533 44.355 68.190 1.00 35.03 C ATOM 254 CD LYS A 17 17.580 43.668 69.051 1.00 30.54 C ATOM 255 CE LYS A 17 18.886 44.446 69.066 1.00 33.14 C ATOM 256 NZ LYS A 17 19.934 43.790 68.237 1.00 2.34 N ATOM 0 HA LYS A 17 16.817 45.929 65.110 1.00 20.01 H new ATOM 0 HB2 LYS A 17 16.952 43.663 66.210 1.00 3.41 H new ATOM 0 HB3 LYS A 17 18.098 44.842 66.816 1.00 3.41 H new ATOM 0 HG2 LYS A 17 16.258 45.308 68.642 1.00 35.03 H new ATOM 0 HG3 LYS A 17 15.630 43.745 68.158 1.00 35.03 H new ATOM 0 HD2 LYS A 17 17.205 43.565 70.069 1.00 30.54 H new ATOM 0 HD3 LYS A 17 17.759 42.661 68.674 1.00 30.54 H new ATOM 0 HE2 LYS A 17 18.711 45.456 68.696 1.00 33.14 H new ATOM 0 HE3 LYS A 17 19.241 44.539 70.092 1.00 33.14 H new ATOM 0 HZ1 LYS A 17 20.595 44.509 67.881 1.00 2.34 H new ATOM 0 HZ2 LYS A 17 20.453 43.099 68.816 1.00 2.34 H new ATOM 0 HZ3 LYS A 17 19.487 43.303 67.434 1.00 2.34 H new ATOM 270 N TRP A 18 14.062 45.013 66.707 1.00 53.44 N ATOM 271 CA TRP A 18 12.690 44.563 66.507 1.00 61.22 C ATOM 272 C TRP A 18 11.820 44.917 67.708 1.00 21.24 C ATOM 273 O TRP A 18 12.308 45.453 68.704 1.00 35.31 O ATOM 274 CB TRP A 18 12.657 43.054 66.264 1.00 33.14 C ATOM 275 CG TRP A 18 13.550 42.613 65.144 1.00 23.21 C ATOM 276 CD1 TRP A 18 13.291 42.702 63.806 1.00 71.11 C ATOM 277 CD2 TRP A 18 14.844 42.011 65.266 1.00 33.13 C ATOM 278 NE1 TRP A 18 14.347 42.192 63.088 1.00 52.01 N ATOM 279 CE2 TRP A 18 15.312 41.763 63.961 1.00 21.22 C ATOM 280 CE3 TRP A 18 15.653 41.660 66.349 1.00 14.22 C ATOM 281 CZ2 TRP A 18 16.551 41.179 63.713 1.00 55.14 C ATOM 282 CZ3 TRP A 18 16.883 41.080 66.103 1.00 35.43 C ATOM 283 CH2 TRP A 18 17.323 40.846 64.794 1.00 4.34 C ATOM 0 H TRP A 18 14.325 45.142 67.684 1.00 53.44 H new ATOM 0 HA TRP A 18 12.291 45.073 65.631 1.00 61.22 H new ATOM 0 HB2 TRP A 18 12.952 42.539 67.178 1.00 33.14 H new ATOM 0 HB3 TRP A 18 11.633 42.751 66.044 1.00 33.14 H new ATOM 0 HD1 TRP A 18 12.390 43.112 63.375 1.00 71.11 H new ATOM 0 HE1 TRP A 18 14.403 42.141 62.071 1.00 52.01 H new ATOM 0 HE3 TRP A 18 15.323 41.839 67.362 1.00 14.22 H new ATOM 0 HZ2 TRP A 18 16.891 40.995 62.705 1.00 55.14 H new ATOM 0 HZ3 TRP A 18 17.515 40.803 66.934 1.00 35.43 H new ATOM 0 HH2 TRP A 18 18.291 40.394 64.634 1.00 4.34 H new ATOM 294 N LEU A 19 10.531 44.612 67.609 1.00 33.13 N ATOM 295 CA LEU A 19 9.592 44.898 68.689 1.00 42.23 C ATOM 296 C LEU A 19 10.130 44.396 70.025 1.00 51.35 C ATOM 297 O LEU A 19 9.999 45.066 71.050 1.00 61.15 O ATOM 298 CB LEU A 19 8.237 44.253 68.397 1.00 1.13 C ATOM 299 CG LEU A 19 7.013 45.154 68.566 1.00 24.34 C ATOM 300 CD1 LEU A 19 5.737 44.328 68.564 1.00 12.04 C ATOM 301 CD2 LEU A 19 7.122 45.968 69.847 1.00 44.14 C ATOM 0 H LEU A 19 10.112 44.167 66.793 1.00 33.13 H new ATOM 0 HA LEU A 19 9.467 45.979 68.752 1.00 42.23 H new ATOM 0 HB2 LEU A 19 8.249 43.878 67.373 1.00 1.13 H new ATOM 0 HB3 LEU A 19 8.120 43.389 69.051 1.00 1.13 H new ATOM 0 HG LEU A 19 6.975 45.844 67.723 1.00 24.34 H new ATOM 0 HD11 LEU A 19 4.877 44.987 68.685 1.00 12.04 H new ATOM 0 HD12 LEU A 19 5.653 43.791 67.619 1.00 12.04 H new ATOM 0 HD13 LEU A 19 5.765 43.613 69.386 1.00 12.04 H new ATOM 0 HD21 LEU A 19 6.242 46.603 69.950 1.00 44.14 H new ATOM 0 HD22 LEU A 19 7.186 45.295 70.702 1.00 44.14 H new ATOM 0 HD23 LEU A 19 8.016 46.590 69.808 1.00 44.14 H new ATOM 313 N ASP A 20 10.737 43.215 70.007 1.00 61.44 N ATOM 314 CA ASP A 20 11.299 42.625 71.216 1.00 3.13 C ATOM 315 C ASP A 20 12.227 43.609 71.921 1.00 24.42 C ATOM 316 O ASP A 20 13.045 44.271 71.284 1.00 54.12 O ATOM 317 CB ASP A 20 12.059 41.341 70.876 1.00 53.52 C ATOM 318 CG ASP A 20 12.564 40.624 72.114 1.00 64.25 C ATOM 319 OD1 ASP A 20 11.749 39.970 72.795 1.00 25.33 O ATOM 320 OD2 ASP A 20 13.777 40.719 72.401 1.00 73.54 O ATOM 0 H ASP A 20 10.853 42.647 69.168 1.00 61.44 H new ATOM 0 HA ASP A 20 10.477 42.384 71.889 1.00 3.13 H new ATOM 0 HB2 ASP A 20 11.406 40.674 70.314 1.00 53.52 H new ATOM 0 HB3 ASP A 20 12.903 41.582 70.229 1.00 53.52 H new ATOM 325 N GLY A 21 12.092 43.700 73.241 1.00 70.11 N ATOM 326 CA GLY A 21 12.923 44.608 74.010 1.00 4.32 C ATOM 327 C GLY A 21 14.388 44.514 73.631 1.00 31.41 C ATOM 328 O GLY A 21 14.792 43.608 72.899 1.00 14.31 O ATOM 0 H GLY A 21 11.423 43.162 73.791 1.00 70.11 H new ATOM 0 HA2 GLY A 21 12.576 45.630 73.858 1.00 4.32 H new ATOM 0 HA3 GLY A 21 12.811 44.388 75.072 1.00 4.32 H new ATOM 332 N LEU A 22 15.187 45.452 74.128 1.00 62.31 N ATOM 333 CA LEU A 22 16.616 45.473 73.835 1.00 22.23 C ATOM 334 C LEU A 22 17.432 45.608 75.117 1.00 62.51 C ATOM 335 O LEU A 22 16.909 46.007 76.157 1.00 40.42 O ATOM 336 CB LEU A 22 16.945 46.625 72.884 1.00 33.40 C ATOM 337 CG LEU A 22 16.791 46.328 71.392 1.00 34.21 C ATOM 338 CD1 LEU A 22 15.335 46.457 70.969 1.00 42.40 C ATOM 339 CD2 LEU A 22 17.671 47.257 70.569 1.00 34.42 C ATOM 0 H LEU A 22 14.870 46.208 74.735 1.00 62.31 H new ATOM 0 HA LEU A 22 16.878 44.529 73.357 1.00 22.23 H new ATOM 0 HB2 LEU A 22 16.304 47.470 73.134 1.00 33.40 H new ATOM 0 HB3 LEU A 22 17.973 46.939 73.067 1.00 33.40 H new ATOM 0 HG LEU A 22 17.111 45.302 71.211 1.00 34.21 H new ATOM 0 HD11 LEU A 22 15.245 46.242 69.904 1.00 42.40 H new ATOM 0 HD12 LEU A 22 14.728 45.750 71.534 1.00 42.40 H new ATOM 0 HD13 LEU A 22 14.988 47.471 71.165 1.00 42.40 H new ATOM 0 HD21 LEU A 22 17.548 47.031 69.510 1.00 34.42 H new ATOM 0 HD22 LEU A 22 17.382 48.291 70.755 1.00 34.42 H new ATOM 0 HD23 LEU A 22 18.714 47.115 70.852 1.00 34.42 H new ATOM 351 N ARG A 23 18.715 45.275 75.032 1.00 50.33 N ATOM 352 CA ARG A 23 19.604 45.360 76.185 1.00 14.40 C ATOM 353 C ARG A 23 19.454 46.706 76.890 1.00 62.01 C ATOM 354 O ARG A 23 19.220 46.764 78.096 1.00 23.22 O ATOM 355 CB ARG A 23 21.057 45.158 75.753 1.00 64.45 C ATOM 356 CG ARG A 23 21.493 43.703 75.741 1.00 22.34 C ATOM 357 CD ARG A 23 21.415 43.108 74.343 1.00 34.21 C ATOM 358 NE ARG A 23 22.403 42.052 74.142 1.00 20.31 N ATOM 359 CZ ARG A 23 22.486 41.327 73.032 1.00 40.20 C ATOM 360 NH1 ARG A 23 21.645 41.543 72.030 1.00 45.12 N ATOM 361 NH2 ARG A 23 23.413 40.383 72.923 1.00 51.34 N ATOM 0 H ARG A 23 19.163 44.944 74.177 1.00 50.33 H new ATOM 0 HA ARG A 23 19.327 44.570 76.883 1.00 14.40 H new ATOM 0 HB2 ARG A 23 21.192 45.577 74.756 1.00 64.45 H new ATOM 0 HB3 ARG A 23 21.708 45.718 76.425 1.00 64.45 H new ATOM 0 HG2 ARG A 23 22.514 43.625 76.114 1.00 22.34 H new ATOM 0 HG3 ARG A 23 20.862 43.128 76.418 1.00 22.34 H new ATOM 0 HD2 ARG A 23 20.416 42.706 74.175 1.00 34.21 H new ATOM 0 HD3 ARG A 23 21.570 43.895 73.605 1.00 34.21 H new ATOM 0 HE ARG A 23 23.065 41.861 74.894 1.00 20.31 H new ATOM 0 HH11 ARG A 23 20.932 42.268 72.110 1.00 45.12 H new ATOM 0 HH12 ARG A 23 21.711 40.985 71.179 1.00 45.12 H new ATOM 0 HH21 ARG A 23 24.062 40.214 73.692 1.00 51.34 H new ATOM 0 HH22 ARG A 23 23.476 39.826 72.071 1.00 51.34 H new ATOM 449 N GLN A 30 6.934 52.512 77.211 1.00 31.03 N ATOM 450 CA GLN A 30 6.377 51.891 76.015 1.00 51.54 C ATOM 451 C GLN A 30 7.163 52.300 74.774 1.00 24.13 C ATOM 452 O GLN A 30 6.600 52.433 73.687 1.00 51.42 O ATOM 453 CB GLN A 30 4.906 52.276 75.853 1.00 70.21 C ATOM 454 CG GLN A 30 4.695 53.540 75.035 1.00 15.14 C ATOM 455 CD GLN A 30 3.475 54.324 75.478 1.00 61.23 C ATOM 456 OE1 GLN A 30 2.345 53.990 75.120 1.00 1.32 O ATOM 457 NE2 GLN A 30 3.697 55.373 76.261 1.00 71.03 N ATOM 0 HA GLN A 30 6.451 50.809 76.129 1.00 51.54 H new ATOM 0 HB2 GLN A 30 4.374 51.452 75.378 1.00 70.21 H new ATOM 0 HB3 GLN A 30 4.464 52.414 76.840 1.00 70.21 H new ATOM 0 HG2 GLN A 30 5.579 54.173 75.117 1.00 15.14 H new ATOM 0 HG3 GLN A 30 4.589 53.274 73.983 1.00 15.14 H new ATOM 0 HE21 GLN A 30 4.650 55.614 76.533 1.00 71.03 H new ATOM 0 HE22 GLN A 30 2.914 55.938 76.590 1.00 71.03 H new ATOM 466 N GLY A 31 8.467 52.500 74.942 1.00 1.23 N ATOM 467 CA GLY A 31 9.308 52.892 73.827 1.00 35.34 C ATOM 468 C GLY A 31 8.947 52.168 72.545 1.00 22.04 C ATOM 469 O GLY A 31 9.118 52.706 71.451 1.00 1.03 O ATOM 0 H GLY A 31 8.956 52.397 75.831 1.00 1.23 H new ATOM 0 HA2 GLY A 31 9.220 53.967 73.670 1.00 35.34 H new ATOM 0 HA3 GLY A 31 10.350 52.690 74.074 1.00 35.34 H new ATOM 473 N ASP A 32 8.447 50.944 72.680 1.00 45.13 N ATOM 474 CA ASP A 32 8.061 50.144 71.523 1.00 40.24 C ATOM 475 C ASP A 32 7.055 50.894 70.654 1.00 40.52 C ATOM 476 O ASP A 32 7.306 51.151 69.477 1.00 42.23 O ATOM 477 CB ASP A 32 7.468 48.809 71.975 1.00 23.52 C ATOM 478 CG ASP A 32 8.440 47.995 72.806 1.00 61.11 C ATOM 479 OD1 ASP A 32 9.656 48.270 72.735 1.00 41.34 O ATOM 480 OD2 ASP A 32 7.984 47.085 73.529 1.00 40.00 O ATOM 0 H ASP A 32 8.300 50.485 73.579 1.00 45.13 H new ATOM 0 HA ASP A 32 8.955 49.953 70.929 1.00 40.24 H new ATOM 0 HB2 ASP A 32 6.565 48.994 72.556 1.00 23.52 H new ATOM 0 HB3 ASP A 32 7.171 48.232 71.099 1.00 23.52 H new ATOM 485 N VAL A 33 5.917 51.243 71.244 1.00 22.02 N ATOM 486 CA VAL A 33 4.873 51.963 70.525 1.00 15.32 C ATOM 487 C VAL A 33 5.123 53.467 70.553 1.00 10.53 C ATOM 488 O VAL A 33 4.919 54.160 69.557 1.00 55.10 O ATOM 489 CB VAL A 33 3.481 51.674 71.118 1.00 71.44 C ATOM 490 CG1 VAL A 33 2.393 52.288 70.251 1.00 34.24 C ATOM 491 CG2 VAL A 33 3.268 50.176 71.272 1.00 44.33 C ATOM 0 H VAL A 33 5.694 51.039 72.218 1.00 22.02 H new ATOM 0 HA VAL A 33 4.900 51.612 69.493 1.00 15.32 H new ATOM 0 HB VAL A 33 3.425 52.130 72.107 1.00 71.44 H new ATOM 0 HG11 VAL A 33 1.417 52.073 70.686 1.00 34.24 H new ATOM 0 HG12 VAL A 33 2.537 53.367 70.197 1.00 34.24 H new ATOM 0 HG13 VAL A 33 2.445 51.864 69.248 1.00 34.24 H new ATOM 0 HG21 VAL A 33 2.280 49.990 71.692 1.00 44.33 H new ATOM 0 HG22 VAL A 33 3.344 49.696 70.297 1.00 44.33 H new ATOM 0 HG23 VAL A 33 4.028 49.767 71.938 1.00 44.33 H new ATOM 501 N LYS A 34 5.568 53.965 71.702 1.00 2.21 N ATOM 502 CA LYS A 34 5.848 55.387 71.862 1.00 44.45 C ATOM 503 C LYS A 34 6.586 55.936 70.644 1.00 11.44 C ATOM 504 O LYS A 34 6.437 57.106 70.292 1.00 54.15 O ATOM 505 CB LYS A 34 6.681 55.624 73.125 1.00 32.45 C ATOM 506 CG LYS A 34 7.515 56.892 73.073 1.00 42.41 C ATOM 507 CD LYS A 34 8.467 56.981 74.255 1.00 4.51 C ATOM 508 CE LYS A 34 9.917 57.044 73.800 1.00 24.04 C ATOM 509 NZ LYS A 34 10.803 56.207 74.655 1.00 74.02 N ATOM 0 H LYS A 34 5.742 53.405 72.536 1.00 2.21 H new ATOM 0 HA LYS A 34 4.897 55.911 71.956 1.00 44.45 H new ATOM 0 HB2 LYS A 34 6.015 55.672 73.986 1.00 32.45 H new ATOM 0 HB3 LYS A 34 7.341 54.771 73.280 1.00 32.45 H new ATOM 0 HG2 LYS A 34 8.084 56.917 72.144 1.00 42.41 H new ATOM 0 HG3 LYS A 34 6.858 57.761 73.068 1.00 42.41 H new ATOM 0 HD2 LYS A 34 8.232 57.865 74.847 1.00 4.51 H new ATOM 0 HD3 LYS A 34 8.325 56.116 74.903 1.00 4.51 H new ATOM 0 HE2 LYS A 34 9.988 56.708 72.765 1.00 24.04 H new ATOM 0 HE3 LYS A 34 10.261 58.078 73.824 1.00 24.04 H new ATOM 0 HZ1 LYS A 34 11.755 56.624 74.681 1.00 74.02 H new ATOM 0 HZ2 LYS A 34 10.416 56.166 75.620 1.00 74.02 H new ATOM 0 HZ3 LYS A 34 10.857 55.246 74.262 1.00 74.02 H new ATOM 523 N VAL A 35 7.380 55.083 70.004 1.00 54.53 N ATOM 524 CA VAL A 35 8.138 55.482 68.825 1.00 15.12 C ATOM 525 C VAL A 35 7.342 55.230 67.549 1.00 41.03 C ATOM 526 O VAL A 35 7.509 55.933 66.553 1.00 30.21 O ATOM 527 CB VAL A 35 9.479 54.730 68.738 1.00 2.44 C ATOM 528 CG1 VAL A 35 10.156 54.687 70.099 1.00 41.25 C ATOM 529 CG2 VAL A 35 9.265 53.324 68.195 1.00 40.43 C ATOM 0 H VAL A 35 7.515 54.111 70.283 1.00 54.53 H new ATOM 0 HA VAL A 35 8.335 56.550 68.922 1.00 15.12 H new ATOM 0 HB VAL A 35 10.133 55.266 68.050 1.00 2.44 H new ATOM 0 HG11 VAL A 35 11.102 54.152 70.018 1.00 41.25 H new ATOM 0 HG12 VAL A 35 10.343 55.704 70.445 1.00 41.25 H new ATOM 0 HG13 VAL A 35 9.509 54.175 70.811 1.00 41.25 H new ATOM 0 HG21 VAL A 35 10.222 52.806 68.140 1.00 40.43 H new ATOM 0 HG22 VAL A 35 8.594 52.777 68.857 1.00 40.43 H new ATOM 0 HG23 VAL A 35 8.825 53.382 67.199 1.00 40.43 H new ATOM 539 N TRP A 36 6.477 54.224 67.588 1.00 22.03 N ATOM 540 CA TRP A 36 5.654 53.879 66.434 1.00 63.42 C ATOM 541 C TRP A 36 5.001 55.122 65.840 1.00 31.30 C ATOM 542 O TRP A 36 4.569 55.116 64.687 1.00 74.24 O ATOM 543 CB TRP A 36 4.580 52.865 66.833 1.00 24.30 C ATOM 544 CG TRP A 36 5.096 51.460 66.926 1.00 54.53 C ATOM 545 CD1 TRP A 36 6.394 51.074 67.101 1.00 55.13 C ATOM 546 CD2 TRP A 36 4.324 50.257 66.849 1.00 53.21 C ATOM 547 NE1 TRP A 36 6.475 49.703 67.138 1.00 71.30 N ATOM 548 CE2 TRP A 36 5.219 49.179 66.987 1.00 3.30 C ATOM 549 CE3 TRP A 36 2.963 49.986 66.681 1.00 51.42 C ATOM 550 CZ2 TRP A 36 4.795 47.852 66.958 1.00 70.12 C ATOM 551 CZ3 TRP A 36 2.545 48.670 66.653 1.00 33.44 C ATOM 552 CH2 TRP A 36 3.458 47.616 66.791 1.00 14.13 C ATOM 0 H TRP A 36 6.327 53.633 68.405 1.00 22.03 H new ATOM 0 HA TRP A 36 6.301 53.435 65.677 1.00 63.42 H new ATOM 0 HB2 TRP A 36 4.157 53.154 67.795 1.00 24.30 H new ATOM 0 HB3 TRP A 36 3.769 52.900 66.105 1.00 24.30 H new ATOM 0 HD1 TRP A 36 7.233 51.747 67.196 1.00 55.13 H new ATOM 0 HE1 TRP A 36 7.332 49.163 67.258 1.00 71.30 H new ATOM 0 HE3 TRP A 36 2.251 50.791 66.575 1.00 51.42 H new ATOM 0 HZ2 TRP A 36 5.497 47.038 67.064 1.00 70.12 H new ATOM 0 HZ3 TRP A 36 1.496 48.449 66.522 1.00 33.44 H new ATOM 0 HH2 TRP A 36 3.099 46.598 66.765 1.00 14.13 H new ATOM 563 N MET A 37 4.933 56.187 66.634 1.00 4.05 N ATOM 564 CA MET A 37 4.333 57.438 66.184 1.00 3.33 C ATOM 565 C MET A 37 5.311 58.229 65.323 1.00 71.44 C ATOM 566 O MET A 37 5.011 58.564 64.176 1.00 71.02 O ATOM 567 CB MET A 37 3.896 58.278 67.384 1.00 13.33 C ATOM 568 CG MET A 37 2.531 58.923 67.209 1.00 30.25 C ATOM 569 SD MET A 37 1.598 59.005 68.750 1.00 32.15 S ATOM 570 CE MET A 37 1.747 57.315 69.325 1.00 51.52 C ATOM 0 H MET A 37 5.286 56.208 67.591 1.00 4.05 H new ATOM 0 HA MET A 37 3.458 57.197 65.581 1.00 3.33 H new ATOM 0 HB2 MET A 37 3.879 57.647 68.272 1.00 13.33 H new ATOM 0 HB3 MET A 37 4.637 59.057 67.561 1.00 13.33 H new ATOM 0 HG2 MET A 37 2.658 59.930 66.812 1.00 30.25 H new ATOM 0 HG3 MET A 37 1.959 58.359 66.472 1.00 30.25 H new ATOM 0 HE1 MET A 37 0.865 57.050 69.908 1.00 51.52 H new ATOM 0 HE2 MET A 37 1.831 56.645 68.469 1.00 51.52 H new ATOM 0 HE3 MET A 37 2.636 57.220 69.949 1.00 51.52 H new ATOM 580 N GLN A 38 6.480 58.526 65.882 1.00 32.41 N ATOM 581 CA GLN A 38 7.500 59.281 65.163 1.00 53.33 C ATOM 582 C GLN A 38 7.934 58.544 63.901 1.00 63.02 C ATOM 583 O GLN A 38 8.294 59.165 62.902 1.00 25.21 O ATOM 584 CB GLN A 38 8.711 59.529 66.066 1.00 1.14 C ATOM 585 CG GLN A 38 9.654 58.340 66.158 1.00 63.25 C ATOM 586 CD GLN A 38 10.947 58.677 66.872 1.00 44.51 C ATOM 587 OE1 GLN A 38 11.122 58.354 68.049 1.00 22.33 O ATOM 588 NE2 GLN A 38 11.864 59.327 66.165 1.00 44.22 N ATOM 0 H GLN A 38 6.744 58.256 66.829 1.00 32.41 H new ATOM 0 HA GLN A 38 7.070 60.239 64.872 1.00 53.33 H new ATOM 0 HB2 GLN A 38 9.262 60.392 65.692 1.00 1.14 H new ATOM 0 HB3 GLN A 38 8.362 59.784 67.067 1.00 1.14 H new ATOM 0 HG2 GLN A 38 9.155 57.525 66.682 1.00 63.25 H new ATOM 0 HG3 GLN A 38 9.880 57.982 65.154 1.00 63.25 H new ATOM 0 HE21 GLN A 38 11.678 59.575 65.193 1.00 44.22 H new ATOM 0 HE22 GLN A 38 12.755 59.578 66.594 1.00 44.22 H new ATOM 597 N ASN A 39 7.898 57.216 63.954 1.00 54.05 N ATOM 598 CA ASN A 39 8.289 56.395 62.816 1.00 20.53 C ATOM 599 C ASN A 39 7.467 56.750 61.580 1.00 72.44 C ATOM 600 O ASN A 39 7.996 56.834 60.471 1.00 70.14 O ATOM 601 CB ASN A 39 8.116 54.911 63.146 1.00 20.05 C ATOM 602 CG ASN A 39 9.428 54.152 63.101 1.00 23.25 C ATOM 603 OD1 ASN A 39 9.857 53.570 64.098 1.00 35.14 O ATOM 604 ND2 ASN A 39 10.072 54.153 61.940 1.00 54.04 N ATOM 0 H ASN A 39 7.602 56.686 64.774 1.00 54.05 H new ATOM 0 HA ASN A 39 9.339 56.593 62.602 1.00 20.53 H new ATOM 0 HB2 ASN A 39 7.675 54.811 64.138 1.00 20.05 H new ATOM 0 HB3 ASN A 39 7.416 54.464 62.440 1.00 20.05 H new ATOM 0 HD21 ASN A 39 10.959 53.658 61.848 1.00 54.04 H new ATOM 0 HD22 ASN A 39 9.680 54.649 61.140 1.00 54.04 H new ATOM 611 N LEU A 40 6.171 56.960 61.780 1.00 20.51 N ATOM 612 CA LEU A 40 5.274 57.309 60.683 1.00 42.32 C ATOM 613 C LEU A 40 5.373 58.794 60.349 1.00 65.21 C ATOM 614 O LEU A 40 5.422 59.174 59.179 1.00 1.00 O ATOM 615 CB LEU A 40 3.831 56.951 61.044 1.00 63.25 C ATOM 616 CG LEU A 40 3.649 56.038 62.257 1.00 41.41 C ATOM 617 CD1 LEU A 40 2.187 55.656 62.423 1.00 1.52 C ATOM 618 CD2 LEU A 40 4.516 54.794 62.121 1.00 53.32 C ATOM 0 H LEU A 40 5.717 56.895 62.691 1.00 20.51 H new ATOM 0 HA LEU A 40 5.575 56.737 59.805 1.00 42.32 H new ATOM 0 HB2 LEU A 40 3.283 57.876 61.225 1.00 63.25 H new ATOM 0 HB3 LEU A 40 3.370 56.471 60.181 1.00 63.25 H new ATOM 0 HG LEU A 40 3.964 56.581 63.148 1.00 41.41 H new ATOM 0 HD11 LEU A 40 2.077 55.006 63.291 1.00 1.52 H new ATOM 0 HD12 LEU A 40 1.590 56.556 62.566 1.00 1.52 H new ATOM 0 HD13 LEU A 40 1.845 55.131 61.531 1.00 1.52 H new ATOM 0 HD21 LEU A 40 4.375 54.155 62.993 1.00 53.32 H new ATOM 0 HD22 LEU A 40 4.231 54.249 61.221 1.00 53.32 H new ATOM 0 HD23 LEU A 40 5.564 55.087 62.052 1.00 53.32 H new ATOM 630 N GLU A 41 5.406 59.627 61.384 1.00 11.22 N ATOM 631 CA GLU A 41 5.501 61.070 61.198 1.00 53.12 C ATOM 632 C GLU A 41 6.543 61.415 60.138 1.00 35.11 C ATOM 633 O GLU A 41 6.314 62.272 59.285 1.00 63.25 O ATOM 634 CB GLU A 41 5.857 61.754 62.521 1.00 63.14 C ATOM 635 CG GLU A 41 5.178 63.099 62.712 1.00 54.51 C ATOM 636 CD GLU A 41 5.390 63.667 64.102 1.00 52.53 C ATOM 637 OE1 GLU A 41 6.467 63.422 64.687 1.00 64.32 O ATOM 638 OE2 GLU A 41 4.479 64.356 64.607 1.00 51.15 O ATOM 0 H GLU A 41 5.368 59.328 62.358 1.00 11.22 H new ATOM 0 HA GLU A 41 4.530 61.432 60.859 1.00 53.12 H new ATOM 0 HB2 GLU A 41 5.581 61.097 63.346 1.00 63.14 H new ATOM 0 HB3 GLU A 41 6.937 61.891 62.570 1.00 63.14 H new ATOM 0 HG2 GLU A 41 5.561 63.803 61.973 1.00 54.51 H new ATOM 0 HG3 GLU A 41 4.109 62.992 62.526 1.00 54.51 H new ATOM 645 N ASP A 42 7.685 60.742 60.200 1.00 44.43 N ATOM 646 CA ASP A 42 8.763 60.976 59.245 1.00 3.51 C ATOM 647 C ASP A 42 8.545 60.166 57.970 1.00 72.10 C ATOM 648 O ASP A 42 9.090 60.492 56.915 1.00 1.05 O ATOM 649 CB ASP A 42 10.113 60.616 59.868 1.00 10.12 C ATOM 650 CG ASP A 42 11.091 61.773 59.839 1.00 10.40 C ATOM 651 OD1 ASP A 42 11.271 62.370 58.758 1.00 71.34 O ATOM 652 OD2 ASP A 42 11.678 62.081 60.897 1.00 43.42 O ATOM 0 H ASP A 42 7.890 60.030 60.901 1.00 44.43 H new ATOM 0 HA ASP A 42 8.762 62.035 58.986 1.00 3.51 H new ATOM 0 HB2 ASP A 42 9.961 60.299 60.900 1.00 10.12 H new ATOM 0 HB3 ASP A 42 10.542 59.768 59.334 1.00 10.12 H new ATOM 657 N LEU A 43 7.745 59.111 58.075 1.00 52.22 N ATOM 658 CA LEU A 43 7.455 58.254 56.932 1.00 43.03 C ATOM 659 C LEU A 43 6.379 58.873 56.047 1.00 22.24 C ATOM 660 O LEU A 43 6.610 59.146 54.869 1.00 21.44 O ATOM 661 CB LEU A 43 7.009 56.869 57.406 1.00 55.34 C ATOM 662 CG LEU A 43 7.362 55.699 56.489 1.00 23.20 C ATOM 663 CD1 LEU A 43 6.968 56.008 55.052 1.00 55.34 C ATOM 664 CD2 LEU A 43 8.847 55.379 56.580 1.00 23.40 C ATOM 0 H LEU A 43 7.285 58.829 58.941 1.00 52.22 H new ATOM 0 HA LEU A 43 8.368 58.152 56.345 1.00 43.03 H new ATOM 0 HB2 LEU A 43 7.450 56.683 58.385 1.00 55.34 H new ATOM 0 HB3 LEU A 43 5.928 56.885 57.542 1.00 55.34 H new ATOM 0 HG LEU A 43 6.801 54.824 56.817 1.00 23.20 H new ATOM 0 HD11 LEU A 43 7.227 55.163 54.414 1.00 55.34 H new ATOM 0 HD12 LEU A 43 5.894 56.186 55.000 1.00 55.34 H new ATOM 0 HD13 LEU A 43 7.500 56.896 54.712 1.00 55.34 H new ATOM 0 HD21 LEU A 43 9.080 54.543 55.920 1.00 23.40 H new ATOM 0 HD22 LEU A 43 9.426 56.252 56.279 1.00 23.40 H new ATOM 0 HD23 LEU A 43 9.100 55.113 57.606 1.00 23.40 H new ATOM 676 N HIS A 44 5.201 59.092 56.623 1.00 64.50 N ATOM 677 CA HIS A 44 4.088 59.682 55.886 1.00 14.10 C ATOM 678 C HIS A 44 4.570 60.820 54.993 1.00 63.33 C ATOM 679 O HIS A 44 4.030 61.044 53.909 1.00 73.41 O ATOM 680 CB HIS A 44 3.023 60.196 56.856 1.00 1.21 C ATOM 681 CG HIS A 44 1.831 60.793 56.175 1.00 32.41 C ATOM 682 ND1 HIS A 44 0.689 60.074 55.888 1.00 53.32 N ATOM 683 CD2 HIS A 44 1.606 62.049 55.723 1.00 32.14 C ATOM 684 CE1 HIS A 44 -0.185 60.862 55.289 1.00 34.11 C ATOM 685 NE2 HIS A 44 0.346 62.067 55.177 1.00 4.35 N ATOM 0 H HIS A 44 4.992 58.870 57.596 1.00 64.50 H new ATOM 0 HA HIS A 44 3.652 58.908 55.254 1.00 14.10 H new ATOM 0 HB2 HIS A 44 2.694 59.373 57.491 1.00 1.21 H new ATOM 0 HB3 HIS A 44 3.470 60.944 57.510 1.00 1.21 H new ATOM 0 HD2 HIS A 44 2.290 62.882 55.781 1.00 32.14 H new ATOM 0 HE1 HIS A 44 -1.168 60.571 54.948 1.00 34.11 H new ATOM 0 HE2 HIS A 44 -0.106 62.878 54.754 1.00 4.35 H new ATOM 693 N THR A 45 5.591 61.537 55.454 1.00 22.41 N ATOM 694 CA THR A 45 6.144 62.653 54.697 1.00 63.12 C ATOM 695 C THR A 45 6.417 62.254 53.251 1.00 71.12 C ATOM 696 O THR A 45 6.157 63.024 52.325 1.00 51.30 O ATOM 697 CB THR A 45 7.450 63.168 55.331 1.00 70.45 C ATOM 698 OG1 THR A 45 7.652 64.543 54.987 1.00 63.21 O ATOM 699 CG2 THR A 45 8.640 62.343 54.864 1.00 75.15 C ATOM 0 H THR A 45 6.051 61.364 56.348 1.00 22.41 H new ATOM 0 HA THR A 45 5.400 63.449 54.717 1.00 63.12 H new ATOM 0 HB THR A 45 7.365 63.073 56.414 1.00 70.45 H new ATOM 0 HG1 THR A 45 8.483 64.864 55.395 1.00 63.21 H new ATOM 0 HG21 THR A 45 9.551 62.725 55.325 1.00 75.15 H new ATOM 0 HG22 THR A 45 8.497 61.302 55.153 1.00 75.15 H new ATOM 0 HG23 THR A 45 8.726 62.410 53.779 1.00 75.15 H new ATOM 707 N ARG A 46 6.942 61.048 53.062 1.00 15.11 N ATOM 708 CA ARG A 46 7.250 60.548 51.728 1.00 52.03 C ATOM 709 C ARG A 46 6.099 59.708 51.183 1.00 52.10 C ATOM 710 O ARG A 46 5.581 59.978 50.099 1.00 1.04 O ATOM 711 CB ARG A 46 8.534 59.717 51.756 1.00 14.20 C ATOM 712 CG ARG A 46 9.630 60.258 50.853 1.00 24.22 C ATOM 713 CD ARG A 46 10.460 61.319 51.557 1.00 51.31 C ATOM 714 NE ARG A 46 11.362 62.008 50.638 1.00 51.44 N ATOM 715 CZ ARG A 46 12.481 62.613 51.022 1.00 41.24 C ATOM 716 NH1 ARG A 46 12.833 62.614 52.301 1.00 22.20 N ATOM 717 NH2 ARG A 46 13.251 63.218 50.126 1.00 13.42 N ATOM 0 H ARG A 46 7.163 60.399 53.817 1.00 15.11 H new ATOM 0 HA ARG A 46 7.394 61.405 51.070 1.00 52.03 H new ATOM 0 HB2 ARG A 46 8.907 59.674 52.779 1.00 14.20 H new ATOM 0 HB3 ARG A 46 8.301 58.695 51.458 1.00 14.20 H new ATOM 0 HG2 ARG A 46 10.277 59.441 50.535 1.00 24.22 H new ATOM 0 HG3 ARG A 46 9.185 60.681 49.953 1.00 24.22 H new ATOM 0 HD2 ARG A 46 9.797 62.045 52.027 1.00 51.31 H new ATOM 0 HD3 ARG A 46 11.040 60.855 52.355 1.00 51.31 H new ATOM 0 HE ARG A 46 11.120 62.026 49.647 1.00 51.44 H new ATOM 0 HH11 ARG A 46 12.244 62.150 52.992 1.00 22.20 H new ATOM 0 HH12 ARG A 46 13.693 63.079 52.593 1.00 22.20 H new ATOM 0 HH21 ARG A 46 12.984 63.219 49.142 1.00 13.42 H new ATOM 0 HH22 ARG A 46 14.110 63.682 50.422 1.00 13.42 H new ATOM 731 N ARG A 47 5.706 58.690 51.941 1.00 35.45 N ATOM 732 CA ARG A 47 4.617 57.810 51.532 1.00 53.14 C ATOM 733 C ARG A 47 3.726 57.461 52.721 1.00 50.01 C ATOM 734 O ARG A 47 4.180 56.926 53.733 1.00 22.03 O ATOM 735 CB ARG A 47 5.175 56.531 50.906 1.00 31.10 C ATOM 736 CG ARG A 47 4.122 55.685 50.210 1.00 64.52 C ATOM 737 CD ARG A 47 4.708 54.932 49.025 1.00 3.35 C ATOM 738 NE ARG A 47 4.832 55.781 47.843 1.00 21.15 N ATOM 739 CZ ARG A 47 5.952 56.410 47.505 1.00 13.34 C ATOM 740 NH1 ARG A 47 7.038 56.286 48.255 1.00 23.23 N ATOM 741 NH2 ARG A 47 5.987 57.164 46.414 1.00 72.42 N ATOM 0 H ARG A 47 6.125 58.454 52.841 1.00 35.45 H new ATOM 0 HA ARG A 47 4.015 58.336 50.791 1.00 53.14 H new ATOM 0 HB2 ARG A 47 5.950 56.797 50.186 1.00 31.10 H new ATOM 0 HB3 ARG A 47 5.653 55.935 51.683 1.00 31.10 H new ATOM 0 HG2 ARG A 47 3.696 54.975 50.919 1.00 64.52 H new ATOM 0 HG3 ARG A 47 3.307 56.324 49.870 1.00 64.52 H new ATOM 0 HD2 ARG A 47 5.689 54.540 49.294 1.00 3.35 H new ATOM 0 HD3 ARG A 47 4.076 54.076 48.791 1.00 3.35 H new ATOM 0 HE ARG A 47 4.014 55.897 47.245 1.00 21.15 H new ATOM 0 HH11 ARG A 47 7.015 55.706 49.094 1.00 23.23 H new ATOM 0 HH12 ARG A 47 7.897 56.770 47.993 1.00 23.23 H new ATOM 0 HH21 ARG A 47 5.153 57.261 45.834 1.00 72.42 H new ATOM 0 HH22 ARG A 47 6.847 57.647 46.155 1.00 72.42 H new ATOM 755 N PRO A 48 2.427 57.770 52.598 1.00 31.44 N ATOM 756 CA PRO A 48 1.444 57.498 53.651 1.00 2.20 C ATOM 757 C PRO A 48 1.174 56.006 53.820 1.00 60.41 C ATOM 758 O PRO A 48 1.143 55.495 54.939 1.00 11.11 O ATOM 759 CB PRO A 48 0.186 58.217 53.157 1.00 2.25 C ATOM 760 CG PRO A 48 0.341 58.277 51.677 1.00 13.13 C ATOM 761 CD PRO A 48 1.816 58.409 51.419 1.00 3.10 C ATOM 0 HA PRO A 48 1.789 57.837 54.628 1.00 2.20 H new ATOM 0 HB2 PRO A 48 -0.716 57.675 53.439 1.00 2.25 H new ATOM 0 HB3 PRO A 48 0.106 59.215 53.587 1.00 2.25 H new ATOM 0 HG2 PRO A 48 -0.058 57.379 51.206 1.00 13.13 H new ATOM 0 HG3 PRO A 48 -0.205 59.124 51.262 1.00 13.13 H new ATOM 0 HD2 PRO A 48 2.109 57.910 50.495 1.00 3.10 H new ATOM 0 HD3 PRO A 48 2.116 59.453 51.327 1.00 3.10 H new ATOM 769 N ASP A 49 0.980 55.315 52.703 1.00 22.34 N ATOM 770 CA ASP A 49 0.713 53.881 52.727 1.00 55.33 C ATOM 771 C ASP A 49 1.929 53.112 53.235 1.00 62.11 C ATOM 772 O ASP A 49 1.816 51.959 53.649 1.00 3.31 O ATOM 773 CB ASP A 49 0.328 53.389 51.332 1.00 2.44 C ATOM 774 CG ASP A 49 -0.258 51.990 51.353 1.00 71.04 C ATOM 775 OD1 ASP A 49 -1.370 51.820 51.895 1.00 75.23 O ATOM 776 OD2 ASP A 49 0.396 51.065 50.827 1.00 34.34 O ATOM 0 H ASP A 49 1.002 55.724 51.769 1.00 22.34 H new ATOM 0 HA ASP A 49 -0.119 53.702 53.408 1.00 55.33 H new ATOM 0 HB2 ASP A 49 -0.396 54.076 50.894 1.00 2.44 H new ATOM 0 HB3 ASP A 49 1.208 53.401 50.690 1.00 2.44 H new ATOM 781 N GLU A 50 3.090 53.758 53.198 1.00 53.34 N ATOM 782 CA GLU A 50 4.326 53.132 53.653 1.00 71.13 C ATOM 783 C GLU A 50 4.561 53.406 55.136 1.00 24.30 C ATOM 784 O GLU A 50 5.378 52.746 55.778 1.00 54.32 O ATOM 785 CB GLU A 50 5.513 53.644 52.835 1.00 63.24 C ATOM 786 CG GLU A 50 6.672 52.663 52.764 1.00 52.33 C ATOM 787 CD GLU A 50 7.910 53.268 52.131 1.00 42.42 C ATOM 788 OE1 GLU A 50 7.820 53.729 50.974 1.00 52.02 O ATOM 789 OE2 GLU A 50 8.970 53.279 52.793 1.00 43.21 O ATOM 0 H GLU A 50 3.201 54.713 52.858 1.00 53.34 H new ATOM 0 HA GLU A 50 4.232 52.055 53.510 1.00 71.13 H new ATOM 0 HB2 GLU A 50 5.176 53.869 51.823 1.00 63.24 H new ATOM 0 HB3 GLU A 50 5.866 54.580 53.269 1.00 63.24 H new ATOM 0 HG2 GLU A 50 6.914 52.319 53.770 1.00 52.33 H new ATOM 0 HG3 GLU A 50 6.367 51.787 52.192 1.00 52.33 H new ATOM 796 N PHE A 51 3.839 54.383 55.673 1.00 11.01 N ATOM 797 CA PHE A 51 3.968 54.746 57.079 1.00 63.25 C ATOM 798 C PHE A 51 3.927 53.506 57.966 1.00 43.55 C ATOM 799 O PHE A 51 4.751 53.344 58.868 1.00 64.21 O ATOM 800 CB PHE A 51 2.854 55.713 57.484 1.00 63.22 C ATOM 801 CG PHE A 51 1.774 55.073 58.307 1.00 11.02 C ATOM 802 CD1 PHE A 51 2.066 54.500 59.534 1.00 71.44 C ATOM 803 CD2 PHE A 51 0.464 55.042 57.852 1.00 53.40 C ATOM 804 CE1 PHE A 51 1.074 53.910 60.294 1.00 51.10 C ATOM 805 CE2 PHE A 51 -0.532 54.454 58.609 1.00 10.30 C ATOM 806 CZ PHE A 51 -0.226 53.886 59.830 1.00 15.40 C ATOM 0 H PHE A 51 3.158 54.938 55.155 1.00 11.01 H new ATOM 0 HA PHE A 51 4.932 55.237 57.214 1.00 63.25 H new ATOM 0 HB2 PHE A 51 3.288 56.539 58.048 1.00 63.22 H new ATOM 0 HB3 PHE A 51 2.410 56.140 56.585 1.00 63.22 H new ATOM 0 HD1 PHE A 51 3.082 54.515 59.901 1.00 71.44 H new ATOM 0 HD2 PHE A 51 0.220 55.482 56.896 1.00 53.40 H new ATOM 0 HE1 PHE A 51 1.315 53.468 61.250 1.00 51.10 H new ATOM 0 HE2 PHE A 51 -1.549 54.439 58.246 1.00 10.30 H new ATOM 0 HZ PHE A 51 -1.003 53.424 60.421 1.00 15.40 H new ATOM 816 N THR A 52 2.961 52.631 57.707 1.00 20.31 N ATOM 817 CA THR A 52 2.809 51.406 58.481 1.00 5.31 C ATOM 818 C THR A 52 4.013 50.488 58.299 1.00 1.24 C ATOM 819 O THR A 52 4.344 49.701 59.185 1.00 42.13 O ATOM 820 CB THR A 52 1.531 50.643 58.083 1.00 43.12 C ATOM 821 OG1 THR A 52 1.710 50.021 56.806 1.00 1.50 O ATOM 822 CG2 THR A 52 0.336 51.581 58.033 1.00 33.44 C ATOM 0 H THR A 52 2.271 52.749 56.965 1.00 20.31 H new ATOM 0 HA THR A 52 2.735 51.701 59.528 1.00 5.31 H new ATOM 0 HB THR A 52 1.341 49.878 58.836 1.00 43.12 H new ATOM 0 HG1 THR A 52 0.894 49.537 56.561 1.00 1.50 H new ATOM 0 HG21 THR A 52 -0.555 51.020 57.750 1.00 33.44 H new ATOM 0 HG22 THR A 52 0.185 52.031 59.014 1.00 33.44 H new ATOM 0 HG23 THR A 52 0.520 52.365 57.299 1.00 33.44 H new ATOM 830 N ALA A 53 4.662 50.594 57.146 1.00 65.25 N ATOM 831 CA ALA A 53 5.832 49.776 56.849 1.00 4.11 C ATOM 832 C ALA A 53 6.934 49.998 57.880 1.00 24.14 C ATOM 833 O ALA A 53 7.842 49.178 58.017 1.00 11.24 O ATOM 834 CB ALA A 53 6.348 50.079 55.450 1.00 21.54 C ATOM 0 H ALA A 53 4.398 51.239 56.401 1.00 65.25 H new ATOM 0 HA ALA A 53 5.532 48.729 56.895 1.00 4.11 H new ATOM 0 HB1 ALA A 53 7.221 49.461 55.243 1.00 21.54 H new ATOM 0 HB2 ALA A 53 5.568 49.862 54.720 1.00 21.54 H new ATOM 0 HB3 ALA A 53 6.624 51.131 55.384 1.00 21.54 H new ATOM 840 N ARG A 54 6.846 51.110 58.602 1.00 41.01 N ATOM 841 CA ARG A 54 7.838 51.439 59.619 1.00 31.42 C ATOM 842 C ARG A 54 7.700 50.521 60.829 1.00 42.04 C ATOM 843 O ARG A 54 8.576 49.698 61.100 1.00 63.11 O ATOM 844 CB ARG A 54 7.688 52.899 60.053 1.00 12.44 C ATOM 845 CG ARG A 54 8.364 53.886 59.116 1.00 40.35 C ATOM 846 CD ARG A 54 9.851 53.597 58.982 1.00 25.34 C ATOM 847 NE ARG A 54 10.133 52.684 57.878 1.00 63.11 N ATOM 848 CZ ARG A 54 11.326 52.139 57.660 1.00 55.14 C ATOM 849 NH1 ARG A 54 12.340 52.415 58.468 1.00 44.45 N ATOM 850 NH2 ARG A 54 11.504 51.319 56.633 1.00 41.42 N ATOM 0 H ARG A 54 6.099 51.798 58.502 1.00 41.01 H new ATOM 0 HA ARG A 54 8.828 51.295 59.186 1.00 31.42 H new ATOM 0 HB2 ARG A 54 6.628 53.142 60.119 1.00 12.44 H new ATOM 0 HB3 ARG A 54 8.105 53.016 61.053 1.00 12.44 H new ATOM 0 HG2 ARG A 54 7.893 53.839 58.134 1.00 40.35 H new ATOM 0 HG3 ARG A 54 8.221 54.900 59.489 1.00 40.35 H new ATOM 0 HD2 ARG A 54 10.389 54.532 58.826 1.00 25.34 H new ATOM 0 HD3 ARG A 54 10.222 53.167 59.912 1.00 25.34 H new ATOM 0 HE ARG A 54 9.373 52.451 57.239 1.00 63.11 H new ATOM 0 HH11 ARG A 54 12.205 53.046 59.258 1.00 44.45 H new ATOM 0 HH12 ARG A 54 13.255 51.996 58.300 1.00 44.45 H new ATOM 0 HH21 ARG A 54 10.725 51.106 56.010 1.00 41.42 H new ATOM 0 HH22 ARG A 54 12.420 50.901 56.467 1.00 41.42 H new ATOM 864 N LEU A 55 6.598 50.667 61.555 1.00 35.44 N ATOM 865 CA LEU A 55 6.345 49.851 62.738 1.00 45.03 C ATOM 866 C LEU A 55 5.842 48.465 62.345 1.00 43.45 C ATOM 867 O LEU A 55 5.875 47.533 63.149 1.00 60.31 O ATOM 868 CB LEU A 55 5.326 50.537 63.647 1.00 73.02 C ATOM 869 CG LEU A 55 3.871 50.492 63.178 1.00 0.02 C ATOM 870 CD1 LEU A 55 3.736 51.114 61.797 1.00 2.24 C ATOM 871 CD2 LEU A 55 3.356 49.061 63.174 1.00 23.03 C ATOM 0 H LEU A 55 5.864 51.344 61.345 1.00 35.44 H new ATOM 0 HA LEU A 55 7.285 49.737 63.278 1.00 45.03 H new ATOM 0 HB2 LEU A 55 5.383 50.078 64.634 1.00 73.02 H new ATOM 0 HB3 LEU A 55 5.617 51.581 63.763 1.00 73.02 H new ATOM 0 HG LEU A 55 3.266 51.072 63.875 1.00 0.02 H new ATOM 0 HD11 LEU A 55 2.694 51.073 61.480 1.00 2.24 H new ATOM 0 HD12 LEU A 55 4.064 52.153 61.832 1.00 2.24 H new ATOM 0 HD13 LEU A 55 4.353 50.563 61.088 1.00 2.24 H new ATOM 0 HD21 LEU A 55 2.319 49.048 62.838 1.00 23.03 H new ATOM 0 HD22 LEU A 55 3.964 48.458 62.500 1.00 23.03 H new ATOM 0 HD23 LEU A 55 3.415 48.650 64.182 1.00 23.03 H new ATOM 883 N GLN A 56 5.383 48.337 61.105 1.00 31.23 N ATOM 884 CA GLN A 56 4.875 47.064 60.606 1.00 15.25 C ATOM 885 C GLN A 56 5.886 45.946 60.840 1.00 12.54 C ATOM 886 O GLN A 56 5.579 44.946 61.490 1.00 43.04 O ATOM 887 CB GLN A 56 4.549 47.170 59.116 1.00 24.21 C ATOM 888 CG GLN A 56 4.419 45.822 58.425 1.00 63.52 C ATOM 889 CD GLN A 56 3.013 45.555 57.924 1.00 52.03 C ATOM 890 OE1 GLN A 56 2.042 45.683 58.670 1.00 14.13 O ATOM 891 NE2 GLN A 56 2.897 45.183 56.656 1.00 22.32 N ATOM 0 H GLN A 56 5.352 49.099 60.427 1.00 31.23 H new ATOM 0 HA GLN A 56 3.963 46.825 61.153 1.00 15.25 H new ATOM 0 HB2 GLN A 56 3.617 47.723 58.995 1.00 24.21 H new ATOM 0 HB3 GLN A 56 5.329 47.749 58.622 1.00 24.21 H new ATOM 0 HG2 GLN A 56 5.113 45.780 57.586 1.00 63.52 H new ATOM 0 HG3 GLN A 56 4.709 45.033 59.119 1.00 63.52 H new ATOM 0 HE21 GLN A 56 3.729 45.090 56.074 1.00 22.32 H new ATOM 0 HE22 GLN A 56 1.976 44.990 56.263 1.00 22.32 H new ATOM 900 N GLN A 57 7.090 46.122 60.307 1.00 70.13 N ATOM 901 CA GLN A 57 8.145 45.127 60.457 1.00 21.42 C ATOM 902 C GLN A 57 8.345 44.762 61.924 1.00 32.53 C ATOM 903 O GLN A 57 8.718 43.635 62.248 1.00 13.32 O ATOM 904 CB GLN A 57 9.455 45.649 59.866 1.00 71.34 C ATOM 905 CG GLN A 57 9.845 44.975 58.560 1.00 33.32 C ATOM 906 CD GLN A 57 10.567 43.659 58.775 1.00 72.51 C ATOM 907 OE1 GLN A 57 10.790 43.239 59.909 1.00 52.21 O ATOM 908 NE2 GLN A 57 10.935 43.002 57.682 1.00 64.10 N ATOM 0 H GLN A 57 7.360 46.944 59.767 1.00 70.13 H new ATOM 0 HA GLN A 57 7.843 44.230 59.917 1.00 21.42 H new ATOM 0 HB2 GLN A 57 9.366 46.722 59.699 1.00 71.34 H new ATOM 0 HB3 GLN A 57 10.255 45.505 60.593 1.00 71.34 H new ATOM 0 HG2 GLN A 57 8.949 44.800 57.964 1.00 33.32 H new ATOM 0 HG3 GLN A 57 10.484 45.646 57.986 1.00 33.32 H new ATOM 0 HE21 GLN A 57 10.729 43.389 56.761 1.00 64.10 H new ATOM 0 HE22 GLN A 57 11.424 42.110 57.763 1.00 64.10 H new ATOM 917 N SER A 58 8.094 45.724 62.807 1.00 23.03 N ATOM 918 CA SER A 58 8.250 45.506 64.241 1.00 23.22 C ATOM 919 C SER A 58 7.098 44.671 64.791 1.00 54.23 C ATOM 920 O SER A 58 7.311 43.638 65.427 1.00 24.30 O ATOM 921 CB SER A 58 8.323 46.844 64.977 1.00 70.02 C ATOM 922 OG SER A 58 9.476 47.574 64.594 1.00 71.42 O ATOM 0 H SER A 58 7.782 46.662 62.555 1.00 23.03 H new ATOM 0 HA SER A 58 9.180 44.961 64.402 1.00 23.22 H new ATOM 0 HB2 SER A 58 7.429 47.430 64.762 1.00 70.02 H new ATOM 0 HB3 SER A 58 8.339 46.670 66.053 1.00 70.02 H new ATOM 0 HG SER A 58 9.499 48.426 65.077 1.00 71.42 H new ATOM 928 N THR A 59 5.874 45.127 64.544 1.00 71.35 N ATOM 929 CA THR A 59 4.687 44.426 65.016 1.00 23.33 C ATOM 930 C THR A 59 4.825 42.920 64.822 1.00 32.23 C ATOM 931 O THR A 59 4.217 42.133 65.548 1.00 71.41 O ATOM 932 CB THR A 59 3.421 44.911 64.285 1.00 33.52 C ATOM 933 OG1 THR A 59 3.370 46.343 64.291 1.00 21.01 O ATOM 934 CG2 THR A 59 2.168 44.352 64.944 1.00 32.22 C ATOM 0 H THR A 59 5.679 45.980 64.019 1.00 71.35 H new ATOM 0 HA THR A 59 4.591 44.646 66.079 1.00 23.33 H new ATOM 0 HB THR A 59 3.463 44.553 63.256 1.00 33.52 H new ATOM 0 HG1 THR A 59 3.834 46.684 65.084 1.00 21.01 H new ATOM 0 HG21 THR A 59 1.287 44.708 64.411 1.00 32.22 H new ATOM 0 HG22 THR A 59 2.196 43.263 64.913 1.00 32.22 H new ATOM 0 HG23 THR A 59 2.123 44.684 65.981 1.00 32.22 H new ATOM 942 N ASP A 60 5.628 42.526 63.840 1.00 40.20 N ATOM 943 CA ASP A 60 5.848 41.113 63.553 1.00 13.24 C ATOM 944 C ASP A 60 6.153 40.339 64.832 1.00 32.13 C ATOM 945 O ASP A 60 5.529 39.317 65.114 1.00 15.21 O ATOM 946 CB ASP A 60 6.994 40.946 62.555 1.00 44.10 C ATOM 947 CG ASP A 60 6.569 40.201 61.304 1.00 73.54 C ATOM 948 OD1 ASP A 60 5.623 40.662 60.632 1.00 35.52 O ATOM 949 OD2 ASP A 60 7.184 39.159 60.997 1.00 60.54 O ATOM 0 H ASP A 60 6.137 43.165 63.229 1.00 40.20 H new ATOM 0 HA ASP A 60 4.934 40.710 63.116 1.00 13.24 H new ATOM 0 HB2 ASP A 60 7.376 41.928 62.277 1.00 44.10 H new ATOM 0 HB3 ASP A 60 7.813 40.409 63.033 1.00 44.10 H new ATOM 954 N ALA A 61 7.117 40.834 65.601 1.00 43.14 N ATOM 955 CA ALA A 61 7.505 40.191 66.850 1.00 23.54 C ATOM 956 C ALA A 61 6.281 39.850 67.694 1.00 2.11 C ATOM 957 O ALA A 61 6.241 38.811 68.356 1.00 32.34 O ATOM 958 CB ALA A 61 8.456 41.085 67.632 1.00 24.33 C ATOM 0 H ALA A 61 7.644 41.679 65.381 1.00 43.14 H new ATOM 0 HA ALA A 61 8.018 39.260 66.607 1.00 23.54 H new ATOM 0 HB1 ALA A 61 8.737 40.591 68.562 1.00 24.33 H new ATOM 0 HB2 ALA A 61 9.350 41.274 67.037 1.00 24.33 H new ATOM 0 HB3 ALA A 61 7.964 42.031 67.857 1.00 24.33 H new ATOM 964 N LEU A 62 5.286 40.729 67.668 1.00 62.51 N ATOM 965 CA LEU A 62 4.062 40.522 68.431 1.00 14.35 C ATOM 966 C LEU A 62 3.103 39.598 67.685 1.00 44.41 C ATOM 967 O LEU A 62 2.636 38.599 68.232 1.00 10.34 O ATOM 968 CB LEU A 62 3.379 41.861 68.714 1.00 63.25 C ATOM 969 CG LEU A 62 2.361 41.870 69.854 1.00 20.12 C ATOM 970 CD1 LEU A 62 2.223 43.267 70.437 1.00 55.44 C ATOM 971 CD2 LEU A 62 1.012 41.358 69.368 1.00 32.31 C ATOM 0 H LEU A 62 5.303 41.593 67.126 1.00 62.51 H new ATOM 0 HA LEU A 62 4.330 40.051 69.377 1.00 14.35 H new ATOM 0 HB2 LEU A 62 4.150 42.599 68.937 1.00 63.25 H new ATOM 0 HB3 LEU A 62 2.877 42.189 67.804 1.00 63.25 H new ATOM 0 HG LEU A 62 2.719 41.205 70.640 1.00 20.12 H new ATOM 0 HD11 LEU A 62 1.494 43.253 71.247 1.00 55.44 H new ATOM 0 HD12 LEU A 62 3.188 43.597 70.823 1.00 55.44 H new ATOM 0 HD13 LEU A 62 1.888 43.954 69.660 1.00 55.44 H new ATOM 0 HD21 LEU A 62 0.299 41.371 70.193 1.00 32.31 H new ATOM 0 HD22 LEU A 62 0.648 41.998 68.564 1.00 32.31 H new ATOM 0 HD23 LEU A 62 1.121 40.338 68.999 1.00 32.31 H new ATOM 983 N TYR A 63 2.818 39.937 66.433 1.00 41.02 N ATOM 984 CA TYR A 63 1.917 39.138 65.611 1.00 51.14 C ATOM 985 C TYR A 63 2.200 37.649 65.783 1.00 10.33 C ATOM 986 O TYR A 63 1.283 36.851 65.977 1.00 12.42 O ATOM 987 CB TYR A 63 2.055 39.529 64.139 1.00 34.23 C ATOM 988 CG TYR A 63 1.923 38.361 63.188 1.00 13.43 C ATOM 989 CD1 TYR A 63 2.979 37.481 62.989 1.00 4.45 C ATOM 990 CD2 TYR A 63 0.744 38.139 62.487 1.00 74.04 C ATOM 991 CE1 TYR A 63 2.863 36.411 62.121 1.00 61.25 C ATOM 992 CE2 TYR A 63 0.620 37.073 61.618 1.00 0.05 C ATOM 993 CZ TYR A 63 1.682 36.212 61.438 1.00 13.23 C ATOM 994 OH TYR A 63 1.562 35.150 60.572 1.00 43.22 O ATOM 0 H TYR A 63 3.198 40.760 65.965 1.00 41.02 H new ATOM 0 HA TYR A 63 0.896 39.335 65.938 1.00 51.14 H new ATOM 0 HB2 TYR A 63 1.295 40.272 63.896 1.00 34.23 H new ATOM 0 HB3 TYR A 63 3.025 40.003 63.987 1.00 34.23 H new ATOM 0 HD1 TYR A 63 3.906 37.635 63.521 1.00 4.45 H new ATOM 0 HD2 TYR A 63 -0.090 38.812 62.624 1.00 74.04 H new ATOM 0 HE1 TYR A 63 3.693 35.735 61.979 1.00 61.25 H new ATOM 0 HE2 TYR A 63 -0.304 36.914 61.082 1.00 0.05 H new ATOM 0 HH TYR A 63 2.129 34.412 60.879 1.00 43.22 H new ATOM 1004 N SER A 64 3.475 37.283 65.709 1.00 51.35 N ATOM 1005 CA SER A 64 3.880 35.890 65.852 1.00 11.02 C ATOM 1006 C SER A 64 3.844 35.461 67.316 1.00 52.35 C ATOM 1007 O SER A 64 3.386 34.366 67.644 1.00 50.34 O ATOM 1008 CB SER A 64 5.284 35.683 65.283 1.00 51.25 C ATOM 1009 OG SER A 64 5.815 34.429 65.674 1.00 51.40 O ATOM 0 H SER A 64 4.246 37.932 65.551 1.00 51.35 H new ATOM 0 HA SER A 64 3.175 35.274 65.293 1.00 11.02 H new ATOM 0 HB2 SER A 64 5.251 35.744 64.195 1.00 51.25 H new ATOM 0 HB3 SER A 64 5.940 36.482 65.627 1.00 51.25 H new ATOM 0 HG SER A 64 6.713 34.321 65.296 1.00 51.40 H new ATOM 1015 N HIS A 65 4.331 36.333 68.194 1.00 62.52 N ATOM 1016 CA HIS A 65 4.356 36.047 69.623 1.00 13.40 C ATOM 1017 C HIS A 65 2.968 35.656 70.122 1.00 53.14 C ATOM 1018 O HIS A 65 2.826 34.759 70.955 1.00 62.02 O ATOM 1019 CB HIS A 65 4.866 37.262 70.399 1.00 15.30 C ATOM 1020 CG HIS A 65 4.829 37.081 71.886 1.00 72.52 C ATOM 1021 ND1 HIS A 65 4.614 38.122 72.765 1.00 33.22 N ATOM 1022 CD2 HIS A 65 4.980 35.972 72.647 1.00 32.11 C ATOM 1023 CE1 HIS A 65 4.635 37.661 74.003 1.00 4.01 C ATOM 1024 NE2 HIS A 65 4.855 36.359 73.959 1.00 12.51 N ATOM 0 H HIS A 65 4.714 37.244 67.940 1.00 62.52 H new ATOM 0 HA HIS A 65 5.033 35.209 69.790 1.00 13.40 H new ATOM 0 HB2 HIS A 65 5.890 37.475 70.092 1.00 15.30 H new ATOM 0 HB3 HIS A 65 4.266 38.132 70.132 1.00 15.30 H new ATOM 0 HD2 HIS A 65 5.164 34.970 72.289 1.00 32.11 H new ATOM 0 HE1 HIS A 65 4.496 38.248 74.899 1.00 4.01 H new ATOM 0 HE2 HIS A 65 4.921 35.741 74.768 1.00 12.51 H new ATOM 1032 N LEU A 66 1.947 36.334 69.610 1.00 61.03 N ATOM 1033 CA LEU A 66 0.570 36.058 70.004 1.00 42.14 C ATOM 1034 C LEU A 66 0.064 34.774 69.353 1.00 73.03 C ATOM 1035 O LEU A 66 -0.296 33.820 70.040 1.00 0.30 O ATOM 1036 CB LEU A 66 -0.336 37.230 69.620 1.00 42.34 C ATOM 1037 CG LEU A 66 -1.710 37.263 70.291 1.00 53.01 C ATOM 1038 CD1 LEU A 66 -1.705 38.223 71.471 1.00 3.11 C ATOM 1039 CD2 LEU A 66 -2.783 37.656 69.286 1.00 14.43 C ATOM 0 H LEU A 66 2.047 37.079 68.921 1.00 61.03 H new ATOM 0 HA LEU A 66 0.547 35.928 71.086 1.00 42.14 H new ATOM 0 HB2 LEU A 66 0.184 38.158 69.856 1.00 42.34 H new ATOM 0 HB3 LEU A 66 -0.481 37.212 68.540 1.00 42.34 H new ATOM 0 HG LEU A 66 -1.936 36.264 70.663 1.00 53.01 H new ATOM 0 HD11 LEU A 66 -2.691 38.233 71.936 1.00 3.11 H new ATOM 0 HD12 LEU A 66 -0.963 37.899 72.201 1.00 3.11 H new ATOM 0 HD13 LEU A 66 -1.457 39.226 71.123 1.00 3.11 H new ATOM 0 HD21 LEU A 66 -3.755 37.675 69.780 1.00 14.43 H new ATOM 0 HD22 LEU A 66 -2.561 38.645 68.885 1.00 14.43 H new ATOM 0 HD23 LEU A 66 -2.803 36.930 68.473 1.00 14.43 H new ATOM 1051 N GLU A 67 0.042 34.760 68.024 1.00 44.15 N ATOM 1052 CA GLU A 67 -0.418 33.593 67.281 1.00 54.34 C ATOM 1053 C GLU A 67 0.303 32.332 67.748 1.00 60.23 C ATOM 1054 O GLU A 67 -0.272 31.245 67.760 1.00 1.54 O ATOM 1055 CB GLU A 67 -0.196 33.796 65.781 1.00 41.41 C ATOM 1056 CG GLU A 67 -1.067 32.906 64.911 1.00 33.22 C ATOM 1057 CD GLU A 67 -0.387 32.511 63.614 1.00 32.42 C ATOM 1058 OE1 GLU A 67 0.481 31.615 63.649 1.00 51.44 O ATOM 1059 OE2 GLU A 67 -0.722 33.099 62.565 1.00 21.35 O ATOM 0 H GLU A 67 0.337 35.543 67.440 1.00 44.15 H new ATOM 0 HA GLU A 67 -1.485 33.471 67.469 1.00 54.34 H new ATOM 0 HB2 GLU A 67 -0.393 34.839 65.531 1.00 41.41 H new ATOM 0 HB3 GLU A 67 0.851 33.604 65.548 1.00 41.41 H new ATOM 0 HG2 GLU A 67 -1.330 32.006 65.467 1.00 33.22 H new ATOM 0 HG3 GLU A 67 -1.998 33.425 64.685 1.00 33.22 H new ATOM 1066 N ALA A 68 1.566 32.487 68.130 1.00 23.10 N ATOM 1067 CA ALA A 68 2.366 31.362 68.598 1.00 53.22 C ATOM 1068 C ALA A 68 2.109 31.084 70.076 1.00 43.51 C ATOM 1069 O ALA A 68 1.675 29.993 70.445 1.00 24.32 O ATOM 1070 CB ALA A 68 3.845 31.630 68.360 1.00 24.21 C ATOM 0 H ALA A 68 2.057 33.381 68.125 1.00 23.10 H new ATOM 0 HA ALA A 68 2.072 30.479 68.031 1.00 53.22 H new ATOM 0 HB1 ALA A 68 4.430 30.781 68.714 1.00 24.21 H new ATOM 0 HB2 ALA A 68 4.022 31.773 67.294 1.00 24.21 H new ATOM 0 HB3 ALA A 68 4.144 32.528 68.901 1.00 24.21 H new ATOM 1076 N GLN A 69 2.381 32.077 70.917 1.00 21.34 N ATOM 1077 CA GLN A 69 2.180 31.936 72.354 1.00 62.33 C ATOM 1078 C GLN A 69 0.704 31.735 72.680 1.00 32.31 C ATOM 1079 O GLN A 69 0.325 30.742 73.301 1.00 41.22 O ATOM 1080 CB GLN A 69 2.714 33.168 73.087 1.00 53.04 C ATOM 1081 CG GLN A 69 3.046 32.910 74.548 1.00 31.13 C ATOM 1082 CD GLN A 69 4.281 32.048 74.722 1.00 72.32 C ATOM 1083 OE1 GLN A 69 5.144 31.996 73.846 1.00 40.20 O ATOM 1084 NE2 GLN A 69 4.371 31.365 75.858 1.00 41.25 N ATOM 0 H GLN A 69 2.741 32.987 70.628 1.00 21.34 H new ATOM 0 HA GLN A 69 2.730 31.056 72.688 1.00 62.33 H new ATOM 0 HB2 GLN A 69 3.609 33.524 72.577 1.00 53.04 H new ATOM 0 HB3 GLN A 69 1.974 33.966 73.027 1.00 53.04 H new ATOM 0 HG2 GLN A 69 3.198 33.862 75.056 1.00 31.13 H new ATOM 0 HG3 GLN A 69 2.197 32.424 75.029 1.00 31.13 H new ATOM 0 HE21 GLN A 69 3.632 31.438 76.557 1.00 41.25 H new ATOM 0 HE22 GLN A 69 5.179 30.768 76.031 1.00 41.25 H new ATOM 1093 N TRP A 70 -0.125 32.685 72.259 1.00 44.14 N ATOM 1094 CA TRP A 70 -1.559 32.612 72.507 1.00 13.14 C ATOM 1095 C TRP A 70 -2.101 31.228 72.166 1.00 60.10 C ATOM 1096 O TRP A 70 -3.032 30.741 72.806 1.00 2.15 O ATOM 1097 CB TRP A 70 -2.294 33.676 71.690 1.00 30.50 C ATOM 1098 CG TRP A 70 -3.689 33.936 72.171 1.00 60.23 C ATOM 1099 CD1 TRP A 70 -4.809 33.217 71.865 1.00 35.12 C ATOM 1100 CD2 TRP A 70 -4.113 34.990 73.042 1.00 71.14 C ATOM 1101 NE1 TRP A 70 -5.903 33.762 72.494 1.00 4.24 N ATOM 1102 CE2 TRP A 70 -5.503 34.849 73.222 1.00 54.04 C ATOM 1103 CE3 TRP A 70 -3.453 36.038 73.689 1.00 73.24 C ATOM 1104 CZ2 TRP A 70 -6.242 35.718 74.022 1.00 63.21 C ATOM 1105 CZ3 TRP A 70 -4.188 36.901 74.481 1.00 10.21 C ATOM 1106 CH2 TRP A 70 -5.570 36.735 74.643 1.00 72.30 C ATOM 0 H TRP A 70 0.172 33.514 71.745 1.00 44.14 H new ATOM 0 HA TRP A 70 -1.728 32.797 73.568 1.00 13.14 H new ATOM 0 HB2 TRP A 70 -1.727 34.606 71.724 1.00 30.50 H new ATOM 0 HB3 TRP A 70 -2.330 33.362 70.647 1.00 30.50 H new ATOM 0 HD1 TRP A 70 -4.832 32.348 71.224 1.00 35.12 H new ATOM 0 HE1 TRP A 70 -6.859 33.412 72.429 1.00 4.24 H new ATOM 0 HE3 TRP A 70 -2.388 36.172 73.573 1.00 73.24 H new ATOM 0 HZ2 TRP A 70 -7.307 35.593 74.147 1.00 63.21 H new ATOM 0 HZ3 TRP A 70 -3.689 37.716 74.983 1.00 10.21 H new ATOM 0 HH2 TRP A 70 -6.116 37.424 75.271 1.00 72.30 H new ATOM 1117 N ALA A 71 -1.513 30.600 71.153 1.00 21.44 N ATOM 1118 CA ALA A 71 -1.936 29.271 70.729 1.00 52.22 C ATOM 1119 C ALA A 71 -2.084 28.335 71.924 1.00 21.44 C ATOM 1120 O ALA A 71 -3.020 27.537 71.988 1.00 52.32 O ATOM 1121 CB ALA A 71 -0.947 28.697 69.726 1.00 64.25 C ATOM 0 H ALA A 71 -0.742 30.990 70.611 1.00 21.44 H new ATOM 0 HA ALA A 71 -2.911 29.363 70.249 1.00 52.22 H new ATOM 0 HB1 ALA A 71 -1.276 27.704 69.418 1.00 64.25 H new ATOM 0 HB2 ALA A 71 -0.894 29.348 68.854 1.00 64.25 H new ATOM 0 HB3 ALA A 71 0.038 28.626 70.186 1.00 64.25 H new ATOM 1127 N LYS A 72 -1.155 28.436 72.867 1.00 13.41 N ATOM 1128 CA LYS A 72 -1.182 27.599 74.061 1.00 64.12 C ATOM 1129 C LYS A 72 -2.560 27.625 74.714 1.00 62.25 C ATOM 1130 O LYS A 72 -2.981 26.649 75.332 1.00 12.31 O ATOM 1131 CB LYS A 72 -0.123 28.068 75.062 1.00 73.43 C ATOM 1132 CG LYS A 72 0.945 27.028 75.351 1.00 1.23 C ATOM 1133 CD LYS A 72 2.122 27.157 74.399 1.00 73.43 C ATOM 1134 CE LYS A 72 1.963 26.250 73.190 1.00 63.32 C ATOM 1135 NZ LYS A 72 2.154 26.990 71.911 1.00 62.01 N ATOM 0 H LYS A 72 -0.373 29.090 72.828 1.00 13.41 H new ATOM 0 HA LYS A 72 -0.961 26.575 73.760 1.00 64.12 H new ATOM 0 HB2 LYS A 72 0.354 28.969 74.677 1.00 73.43 H new ATOM 0 HB3 LYS A 72 -0.614 28.341 75.996 1.00 73.43 H new ATOM 0 HG2 LYS A 72 1.293 27.138 76.378 1.00 1.23 H new ATOM 0 HG3 LYS A 72 0.515 26.030 75.266 1.00 1.23 H new ATOM 0 HD2 LYS A 72 2.213 28.192 74.069 1.00 73.43 H new ATOM 0 HD3 LYS A 72 3.044 26.908 74.923 1.00 73.43 H new ATOM 0 HE2 LYS A 72 2.685 25.436 73.250 1.00 63.32 H new ATOM 0 HE3 LYS A 72 0.971 25.798 73.203 1.00 63.32 H new ATOM 0 HZ1 LYS A 72 2.037 26.336 71.111 1.00 62.01 H new ATOM 0 HZ2 LYS A 72 1.449 27.751 71.842 1.00 62.01 H new ATOM 0 HZ3 LYS A 72 3.109 27.400 71.887 1.00 62.01 H new ATOM 1149 N GLN A 73 -3.257 28.747 74.568 1.00 14.00 N ATOM 1150 CA GLN A 73 -4.588 28.899 75.144 1.00 23.21 C ATOM 1151 C GLN A 73 -5.559 27.886 74.543 1.00 61.44 C ATOM 1152 O GLN A 73 -6.102 27.037 75.249 1.00 15.31 O ATOM 1153 CB GLN A 73 -5.108 30.319 74.913 1.00 54.21 C ATOM 1154 CG GLN A 73 -4.463 31.356 75.820 1.00 32.53 C ATOM 1155 CD GLN A 73 -4.871 31.197 77.271 1.00 32.33 C ATOM 1156 OE1 GLN A 73 -4.075 30.773 78.109 1.00 63.35 O ATOM 1157 NE2 GLN A 73 -6.118 31.536 77.576 1.00 12.22 N ATOM 0 H GLN A 73 -2.923 29.564 74.056 1.00 14.00 H new ATOM 0 HA GLN A 73 -4.516 28.716 76.216 1.00 23.21 H new ATOM 0 HB2 GLN A 73 -4.932 30.597 73.874 1.00 54.21 H new ATOM 0 HB3 GLN A 73 -6.187 30.332 75.069 1.00 54.21 H new ATOM 0 HG2 GLN A 73 -3.379 31.278 75.741 1.00 32.53 H new ATOM 0 HG3 GLN A 73 -4.737 32.354 75.477 1.00 32.53 H new ATOM 0 HE21 GLN A 73 -6.744 31.883 76.850 1.00 12.22 H new ATOM 0 HE22 GLN A 73 -6.450 31.449 78.537 1.00 12.22 H new ATOM 1166 N HIS A 74 -5.774 27.984 73.235 1.00 45.02 N ATOM 1167 CA HIS A 74 -6.679 27.076 72.539 1.00 50.21 C ATOM 1168 C HIS A 74 -6.072 26.611 71.218 1.00 10.43 C ATOM 1169 O HIS A 74 -5.977 25.413 70.955 1.00 53.43 O ATOM 1170 CB HIS A 74 -8.023 27.760 72.284 1.00 3.22 C ATOM 1171 CG HIS A 74 -8.824 27.988 73.529 1.00 61.10 C ATOM 1172 ND1 HIS A 74 -9.720 29.027 73.667 1.00 64.10 N ATOM 1173 CD2 HIS A 74 -8.861 27.304 74.696 1.00 10.42 C ATOM 1174 CE1 HIS A 74 -10.272 28.973 74.866 1.00 21.25 C ATOM 1175 NE2 HIS A 74 -9.768 27.936 75.510 1.00 35.30 N ATOM 0 H HIS A 74 -5.334 28.683 72.636 1.00 45.02 H new ATOM 0 HA HIS A 74 -6.838 26.203 73.172 1.00 50.21 H new ATOM 0 HB2 HIS A 74 -7.847 28.718 71.794 1.00 3.22 H new ATOM 0 HB3 HIS A 74 -8.606 27.151 71.593 1.00 3.22 H new ATOM 0 HD2 HIS A 74 -8.284 26.424 74.941 1.00 10.42 H new ATOM 0 HE1 HIS A 74 -11.010 29.660 75.254 1.00 21.25 H new ATOM 0 HE2 HIS A 74 -10.013 27.651 76.458 1.00 35.30 H new ATOM 1183 N GLY A 75 -5.666 27.568 70.390 1.00 42.25 N ATOM 1184 CA GLY A 75 -5.075 27.236 69.106 1.00 53.12 C ATOM 1185 C GLY A 75 -6.059 27.374 67.962 1.00 73.42 C ATOM 1186 O GLY A 75 -5.707 27.164 66.800 1.00 51.50 O ATOM 0 H GLY A 75 -5.735 28.567 70.585 1.00 42.25 H new ATOM 0 HA2 GLY A 75 -4.219 27.886 68.925 1.00 53.12 H new ATOM 0 HA3 GLY A 75 -4.699 26.213 69.136 1.00 53.12 H new ATOM 1190 N THR A 76 -7.298 27.727 68.289 1.00 11.15 N ATOM 1191 CA THR A 76 -8.338 27.890 67.280 1.00 71.03 C ATOM 1192 C THR A 76 -8.423 29.336 66.807 1.00 51.15 C ATOM 1193 O THR A 76 -8.267 29.638 65.624 1.00 71.12 O ATOM 1194 CB THR A 76 -9.715 27.456 67.818 1.00 63.44 C ATOM 1195 OG1 THR A 76 -10.636 28.550 67.746 1.00 73.13 O ATOM 1196 CG2 THR A 76 -9.607 26.970 69.255 1.00 64.23 C ATOM 0 H THR A 76 -7.606 27.906 69.245 1.00 11.15 H new ATOM 0 HA THR A 76 -8.066 27.251 66.440 1.00 71.03 H new ATOM 0 HB THR A 76 -10.079 26.634 67.201 1.00 63.44 H new ATOM 0 HG1 THR A 76 -11.509 28.266 68.088 1.00 73.13 H new ATOM 0 HG21 THR A 76 -10.592 26.669 69.612 1.00 64.23 H new ATOM 0 HG22 THR A 76 -8.929 26.118 69.301 1.00 64.23 H new ATOM 0 HG23 THR A 76 -9.223 27.774 69.883 1.00 64.23 H new ATOM 1204 N PRO A 77 -8.675 30.255 67.751 1.00 73.30 N ATOM 1205 CA PRO A 77 -8.786 31.686 67.454 1.00 42.00 C ATOM 1206 C PRO A 77 -7.444 32.304 67.073 1.00 34.34 C ATOM 1207 O PRO A 77 -7.375 33.297 66.348 1.00 41.54 O ATOM 1208 CB PRO A 77 -9.295 32.283 68.768 1.00 13.11 C ATOM 1209 CG PRO A 77 -8.843 31.329 69.818 1.00 52.25 C ATOM 1210 CD PRO A 77 -8.872 29.967 69.182 1.00 32.51 C ATOM 0 HA PRO A 77 -9.439 31.876 66.602 1.00 42.00 H new ATOM 0 HB2 PRO A 77 -8.885 33.279 68.935 1.00 13.11 H new ATOM 0 HB3 PRO A 77 -10.381 32.382 68.764 1.00 13.11 H new ATOM 0 HG2 PRO A 77 -7.839 31.577 70.164 1.00 52.25 H new ATOM 0 HG3 PRO A 77 -9.499 31.367 70.688 1.00 52.25 H new ATOM 0 HD2 PRO A 77 -8.085 29.323 69.575 1.00 32.51 H new ATOM 0 HD3 PRO A 77 -9.819 29.459 69.363 1.00 32.51 H new ATOM 1218 N PRO A 78 -6.353 31.704 67.572 1.00 72.42 N ATOM 1219 CA PRO A 78 -4.994 32.179 67.297 1.00 64.31 C ATOM 1220 C PRO A 78 -4.580 31.944 65.847 1.00 15.31 C ATOM 1221 O PRO A 78 -4.115 30.861 65.490 1.00 52.53 O ATOM 1222 CB PRO A 78 -4.127 31.342 68.242 1.00 31.31 C ATOM 1223 CG PRO A 78 -4.918 30.102 68.481 1.00 41.04 C ATOM 1224 CD PRO A 78 -6.362 30.517 68.443 1.00 52.45 C ATOM 0 HA PRO A 78 -4.900 33.254 67.450 1.00 64.31 H new ATOM 0 HB2 PRO A 78 -3.159 31.115 67.795 1.00 31.31 H new ATOM 0 HB3 PRO A 78 -3.931 31.872 69.174 1.00 31.31 H new ATOM 0 HG2 PRO A 78 -4.708 29.352 67.718 1.00 41.04 H new ATOM 0 HG3 PRO A 78 -4.665 29.658 69.444 1.00 41.04 H new ATOM 0 HD2 PRO A 78 -6.996 29.728 68.040 1.00 52.45 H new ATOM 0 HD3 PRO A 78 -6.739 30.752 69.438 1.00 52.45 H new ATOM 1232 N THR A 79 -4.753 32.966 65.014 1.00 32.45 N ATOM 1233 CA THR A 79 -4.399 32.870 63.603 1.00 12.30 C ATOM 1234 C THR A 79 -4.102 34.245 63.017 1.00 41.53 C ATOM 1235 O THR A 79 -4.590 35.260 63.512 1.00 75.41 O ATOM 1236 CB THR A 79 -5.524 32.208 62.786 1.00 70.31 C ATOM 1237 OG1 THR A 79 -6.761 32.897 63.007 1.00 4.23 O ATOM 1238 CG2 THR A 79 -5.678 30.743 63.164 1.00 35.30 C ATOM 0 H THR A 79 -5.136 33.869 65.292 1.00 32.45 H new ATOM 0 HA THR A 79 -3.504 32.251 63.542 1.00 12.30 H new ATOM 0 HB THR A 79 -5.259 32.268 61.730 1.00 70.31 H new ATOM 0 HG1 THR A 79 -7.015 32.818 63.950 1.00 4.23 H new ATOM 0 HG21 THR A 79 -6.479 30.297 62.574 1.00 35.30 H new ATOM 0 HG22 THR A 79 -4.745 30.216 62.966 1.00 35.30 H new ATOM 0 HG23 THR A 79 -5.921 30.664 64.224 1.00 35.30 H new ATOM 1246 N ALA A 80 -3.297 34.271 61.960 1.00 42.55 N ATOM 1247 CA ALA A 80 -2.935 35.522 61.305 1.00 12.14 C ATOM 1248 C ALA A 80 -4.163 36.399 61.083 1.00 12.13 C ATOM 1249 O ALA A 80 -4.045 37.609 60.886 1.00 15.22 O ATOM 1250 CB ALA A 80 -2.238 35.243 59.981 1.00 13.54 C ATOM 0 H ALA A 80 -2.883 33.439 61.539 1.00 42.55 H new ATOM 0 HA ALA A 80 -2.248 36.060 61.958 1.00 12.14 H new ATOM 0 HB1 ALA A 80 -1.974 36.186 59.503 1.00 13.54 H new ATOM 0 HB2 ALA A 80 -1.334 34.662 60.161 1.00 13.54 H new ATOM 0 HB3 ALA A 80 -2.907 34.681 59.329 1.00 13.54 H new ATOM 1256 N SER A 81 -5.340 35.782 61.115 1.00 42.33 N ATOM 1257 CA SER A 81 -6.589 36.506 60.913 1.00 65.34 C ATOM 1258 C SER A 81 -7.006 37.235 62.186 1.00 13.12 C ATOM 1259 O SER A 81 -7.290 38.433 62.166 1.00 24.21 O ATOM 1260 CB SER A 81 -7.695 35.545 60.474 1.00 14.53 C ATOM 1261 OG SER A 81 -8.976 36.121 60.663 1.00 55.32 O ATOM 0 H SER A 81 -5.454 34.782 61.279 1.00 42.33 H new ATOM 0 HA SER A 81 -6.429 37.246 60.128 1.00 65.34 H new ATOM 0 HB2 SER A 81 -7.561 35.286 59.424 1.00 14.53 H new ATOM 0 HB3 SER A 81 -7.622 34.618 61.042 1.00 14.53 H new ATOM 0 HG SER A 81 -9.665 35.488 60.373 1.00 55.32 H new ATOM 1267 N ASP A 82 -7.044 36.502 63.294 1.00 2.00 N ATOM 1268 CA ASP A 82 -7.426 37.077 64.578 1.00 2.50 C ATOM 1269 C ASP A 82 -6.298 37.932 65.148 1.00 15.22 C ATOM 1270 O ASP A 82 -6.521 39.062 65.583 1.00 43.51 O ATOM 1271 CB ASP A 82 -7.793 35.970 65.568 1.00 22.12 C ATOM 1272 CG ASP A 82 -8.894 35.067 65.044 1.00 51.34 C ATOM 1273 OD1 ASP A 82 -8.580 34.134 64.276 1.00 53.53 O ATOM 1274 OD2 ASP A 82 -10.068 35.294 65.403 1.00 72.24 O ATOM 0 H ASP A 82 -6.815 35.509 63.328 1.00 2.00 H new ATOM 0 HA ASP A 82 -8.296 37.714 64.418 1.00 2.50 H new ATOM 0 HB2 ASP A 82 -6.908 35.371 65.784 1.00 22.12 H new ATOM 0 HB3 ASP A 82 -8.112 36.419 66.509 1.00 22.12 H new ATOM 1279 N VAL A 83 -5.087 37.385 65.144 1.00 1.52 N ATOM 1280 CA VAL A 83 -3.925 38.097 65.660 1.00 42.04 C ATOM 1281 C VAL A 83 -3.950 39.563 65.246 1.00 64.43 C ATOM 1282 O VAL A 83 -3.347 40.415 65.899 1.00 41.13 O ATOM 1283 CB VAL A 83 -2.611 37.458 65.169 1.00 53.12 C ATOM 1284 CG1 VAL A 83 -1.412 38.178 65.766 1.00 63.32 C ATOM 1285 CG2 VAL A 83 -2.579 35.976 65.513 1.00 20.32 C ATOM 0 H VAL A 83 -4.885 36.450 64.789 1.00 1.52 H new ATOM 0 HA VAL A 83 -3.969 38.029 66.747 1.00 42.04 H new ATOM 0 HB VAL A 83 -2.561 37.557 64.085 1.00 53.12 H new ATOM 0 HG11 VAL A 83 -0.493 37.713 65.408 1.00 63.32 H new ATOM 0 HG12 VAL A 83 -1.430 39.225 65.465 1.00 63.32 H new ATOM 0 HG13 VAL A 83 -1.452 38.112 66.853 1.00 63.32 H new ATOM 0 HG21 VAL A 83 -1.645 35.540 65.159 1.00 20.32 H new ATOM 0 HG22 VAL A 83 -2.651 35.852 66.593 1.00 20.32 H new ATOM 0 HG23 VAL A 83 -3.418 35.473 65.033 1.00 20.32 H new ATOM 1295 N VAL A 84 -4.652 39.852 64.155 1.00 34.21 N ATOM 1296 CA VAL A 84 -4.759 41.217 63.653 1.00 62.32 C ATOM 1297 C VAL A 84 -5.289 42.159 64.728 1.00 42.22 C ATOM 1298 O VAL A 84 -4.773 43.261 64.912 1.00 14.31 O ATOM 1299 CB VAL A 84 -5.680 41.292 62.421 1.00 63.21 C ATOM 1300 CG1 VAL A 84 -5.774 42.723 61.911 1.00 3.45 C ATOM 1301 CG2 VAL A 84 -5.183 40.359 61.327 1.00 33.33 C ATOM 0 H VAL A 84 -5.155 39.159 63.601 1.00 34.21 H new ATOM 0 HA VAL A 84 -3.754 41.527 63.366 1.00 62.32 H new ATOM 0 HB VAL A 84 -6.679 40.970 62.715 1.00 63.21 H new ATOM 0 HG11 VAL A 84 -6.429 42.757 61.040 1.00 3.45 H new ATOM 0 HG12 VAL A 84 -6.179 43.363 62.695 1.00 3.45 H new ATOM 0 HG13 VAL A 84 -4.781 43.076 61.632 1.00 3.45 H new ATOM 0 HG21 VAL A 84 -5.846 40.425 60.464 1.00 33.33 H new ATOM 0 HG22 VAL A 84 -4.174 40.648 61.033 1.00 33.33 H new ATOM 0 HG23 VAL A 84 -5.173 39.335 61.699 1.00 33.33 H new ATOM 1311 N GLY A 85 -6.323 41.717 65.437 1.00 11.30 N ATOM 1312 CA GLY A 85 -6.906 42.532 66.487 1.00 20.21 C ATOM 1313 C GLY A 85 -6.986 41.801 67.812 1.00 14.42 C ATOM 1314 O GLY A 85 -7.485 42.343 68.798 1.00 44.21 O ATOM 0 H GLY A 85 -6.768 40.809 65.303 1.00 11.30 H new ATOM 0 HA2 GLY A 85 -6.313 43.438 66.611 1.00 20.21 H new ATOM 0 HA3 GLY A 85 -7.906 42.844 66.187 1.00 20.21 H new ATOM 1318 N MET A 86 -6.496 40.566 67.835 1.00 11.23 N ATOM 1319 CA MET A 86 -6.516 39.759 69.051 1.00 62.14 C ATOM 1320 C MET A 86 -5.650 40.390 70.136 1.00 62.13 C ATOM 1321 O MET A 86 -6.055 40.514 71.292 1.00 54.24 O ATOM 1322 CB MET A 86 -6.027 38.340 68.753 1.00 53.52 C ATOM 1323 CG MET A 86 -6.071 37.417 69.961 1.00 22.43 C ATOM 1324 SD MET A 86 -7.016 35.913 69.650 1.00 43.20 S ATOM 1325 CE MET A 86 -5.704 34.773 69.217 1.00 43.51 C ATOM 0 H MET A 86 -6.081 40.102 67.027 1.00 11.23 H new ATOM 0 HA MET A 86 -7.544 39.714 69.412 1.00 62.14 H new ATOM 0 HB2 MET A 86 -6.638 37.913 67.957 1.00 53.52 H new ATOM 0 HB3 MET A 86 -5.004 38.388 68.379 1.00 53.52 H new ATOM 0 HG2 MET A 86 -5.054 37.150 70.247 1.00 22.43 H new ATOM 0 HG3 MET A 86 -6.510 37.950 70.805 1.00 22.43 H new ATOM 0 HE1 MET A 86 -6.011 33.756 69.459 1.00 43.51 H new ATOM 0 HE2 MET A 86 -5.497 34.845 68.149 1.00 43.51 H new ATOM 0 HE3 MET A 86 -4.804 35.024 69.779 1.00 43.51 H new ATOM 1335 N PRO A 87 -4.429 40.799 69.759 1.00 4.15 N ATOM 1336 CA PRO A 87 -3.482 41.424 70.685 1.00 52.30 C ATOM 1337 C PRO A 87 -3.924 42.819 71.113 1.00 71.33 C ATOM 1338 O PRO A 87 -4.958 43.315 70.667 1.00 34.23 O ATOM 1339 CB PRO A 87 -2.186 41.499 69.873 1.00 33.13 C ATOM 1340 CG PRO A 87 -2.633 41.518 68.452 1.00 71.13 C ATOM 1341 CD PRO A 87 -3.881 40.682 68.397 1.00 44.04 C ATOM 0 HA PRO A 87 -3.387 40.859 71.612 1.00 52.30 H new ATOM 0 HB2 PRO A 87 -1.614 42.393 70.121 1.00 33.13 H new ATOM 0 HB3 PRO A 87 -1.542 40.643 70.074 1.00 33.13 H new ATOM 0 HG2 PRO A 87 -2.831 42.537 68.119 1.00 71.13 H new ATOM 0 HG3 PRO A 87 -1.863 41.113 67.796 1.00 71.13 H new ATOM 0 HD2 PRO A 87 -4.581 41.053 67.649 1.00 44.04 H new ATOM 0 HD3 PRO A 87 -3.660 39.646 68.140 1.00 44.04 H new ATOM 1349 N GLN A 88 -3.133 43.448 71.978 1.00 20.23 N ATOM 1350 CA GLN A 88 -3.444 44.786 72.463 1.00 14.15 C ATOM 1351 C GLN A 88 -2.967 45.848 71.478 1.00 13.30 C ATOM 1352 O GLN A 88 -3.608 46.886 71.311 1.00 54.55 O ATOM 1353 CB GLN A 88 -2.801 45.017 73.832 1.00 11.14 C ATOM 1354 CG GLN A 88 -1.282 45.044 73.793 1.00 35.10 C ATOM 1355 CD GLN A 88 -0.677 45.633 75.052 1.00 12.23 C ATOM 1356 OE1 GLN A 88 0.070 44.964 75.768 1.00 33.22 O ATOM 1357 NE2 GLN A 88 -0.995 46.892 75.330 1.00 31.14 N ATOM 0 H GLN A 88 -2.273 43.051 72.356 1.00 20.23 H new ATOM 0 HA GLN A 88 -4.527 44.867 72.559 1.00 14.15 H new ATOM 0 HB2 GLN A 88 -3.163 45.961 74.239 1.00 11.14 H new ATOM 0 HB3 GLN A 88 -3.125 44.231 74.514 1.00 11.14 H new ATOM 0 HG2 GLN A 88 -0.908 44.030 73.655 1.00 35.10 H new ATOM 0 HG3 GLN A 88 -0.955 45.625 72.931 1.00 35.10 H new ATOM 0 HE21 GLN A 88 -1.617 47.410 74.710 1.00 31.14 H new ATOM 0 HE22 GLN A 88 -0.617 47.341 76.164 1.00 31.14 H new ATOM 1366 N TRP A 89 -1.841 45.581 70.829 1.00 71.15 N ATOM 1367 CA TRP A 89 -1.276 46.514 69.860 1.00 34.15 C ATOM 1368 C TRP A 89 -2.370 47.112 68.981 1.00 64.24 C ATOM 1369 O TRP A 89 -2.221 48.214 68.456 1.00 73.43 O ATOM 1370 CB TRP A 89 -0.233 45.812 68.991 1.00 5.23 C ATOM 1371 CG TRP A 89 -0.783 45.313 67.689 1.00 13.50 C ATOM 1372 CD1 TRP A 89 -1.090 44.021 67.370 1.00 13.43 C ATOM 1373 CD2 TRP A 89 -1.088 46.097 66.531 1.00 4.04 C ATOM 1374 NE1 TRP A 89 -1.568 43.955 66.084 1.00 54.20 N ATOM 1375 CE2 TRP A 89 -1.577 45.215 65.548 1.00 32.32 C ATOM 1376 CE3 TRP A 89 -0.996 47.458 66.229 1.00 33.24 C ATOM 1377 CZ2 TRP A 89 -1.973 45.652 64.286 1.00 54.22 C ATOM 1378 CZ3 TRP A 89 -1.389 47.890 64.977 1.00 72.21 C ATOM 1379 CH2 TRP A 89 -1.873 46.991 64.019 1.00 24.42 C ATOM 0 H TRP A 89 -1.300 44.726 70.955 1.00 71.15 H new ATOM 0 HA TRP A 89 -0.793 47.322 70.410 1.00 34.15 H new ATOM 0 HB2 TRP A 89 0.586 46.502 68.790 1.00 5.23 H new ATOM 0 HB3 TRP A 89 0.186 44.973 69.546 1.00 5.23 H new ATOM 0 HD1 TRP A 89 -0.974 43.175 68.032 1.00 13.43 H new ATOM 0 HE1 TRP A 89 -1.868 43.105 65.606 1.00 54.20 H new ATOM 0 HE3 TRP A 89 -0.624 48.160 66.961 1.00 33.24 H new ATOM 0 HZ2 TRP A 89 -2.345 44.960 63.545 1.00 54.22 H new ATOM 0 HZ3 TRP A 89 -1.322 48.940 64.733 1.00 72.21 H new ATOM 0 HH2 TRP A 89 -2.173 47.361 63.050 1.00 24.42 H new ATOM 1390 N GLN A 90 -3.466 46.377 68.826 1.00 23.02 N ATOM 1391 CA GLN A 90 -4.583 46.836 68.009 1.00 34.44 C ATOM 1392 C GLN A 90 -5.252 48.055 68.636 1.00 43.42 C ATOM 1393 O GLN A 90 -5.334 49.115 68.018 1.00 64.51 O ATOM 1394 CB GLN A 90 -5.607 45.713 67.831 1.00 73.13 C ATOM 1395 CG GLN A 90 -6.887 46.160 67.141 1.00 62.24 C ATOM 1396 CD GLN A 90 -8.119 45.932 67.993 1.00 22.30 C ATOM 1397 OE1 GLN A 90 -8.370 44.818 68.456 1.00 34.51 O ATOM 1398 NE2 GLN A 90 -8.896 46.988 68.205 1.00 23.32 N ATOM 0 H GLN A 90 -3.604 45.462 69.255 1.00 23.02 H new ATOM 0 HA GLN A 90 -4.193 47.121 67.032 1.00 34.44 H new ATOM 0 HB2 GLN A 90 -5.154 44.908 67.252 1.00 73.13 H new ATOM 0 HB3 GLN A 90 -5.856 45.301 68.809 1.00 73.13 H new ATOM 0 HG2 GLN A 90 -6.811 47.219 66.894 1.00 62.24 H new ATOM 0 HG3 GLN A 90 -6.996 45.620 66.200 1.00 62.24 H new ATOM 0 HE21 GLN A 90 -8.649 47.892 67.802 1.00 23.32 H new ATOM 0 HE22 GLN A 90 -9.739 46.895 68.771 1.00 23.32 H new ATOM 1407 N GLU A 91 -5.728 47.895 69.867 1.00 41.34 N ATOM 1408 CA GLU A 91 -6.390 48.984 70.576 1.00 3.33 C ATOM 1409 C GLU A 91 -5.367 49.951 71.165 1.00 22.21 C ATOM 1410 O GLU A 91 -5.505 51.168 71.042 1.00 60.24 O ATOM 1411 CB GLU A 91 -7.283 48.428 71.688 1.00 55.24 C ATOM 1412 CG GLU A 91 -8.631 49.122 71.789 1.00 44.31 C ATOM 1413 CD GLU A 91 -9.632 48.333 72.609 1.00 13.15 C ATOM 1414 OE1 GLU A 91 -9.321 48.011 73.776 1.00 31.54 O ATOM 1415 OE2 GLU A 91 -10.727 48.036 72.086 1.00 64.23 O ATOM 0 H GLU A 91 -5.668 47.023 70.393 1.00 41.34 H new ATOM 0 HA GLU A 91 -7.008 49.528 69.861 1.00 3.33 H new ATOM 0 HB2 GLU A 91 -7.444 47.364 71.516 1.00 55.24 H new ATOM 0 HB3 GLU A 91 -6.763 48.522 72.641 1.00 55.24 H new ATOM 0 HG2 GLU A 91 -8.496 50.107 72.236 1.00 44.31 H new ATOM 0 HG3 GLU A 91 -9.031 49.279 70.787 1.00 44.31 H new ATOM 1422 N TYR A 92 -4.342 49.401 71.806 1.00 12.11 N ATOM 1423 CA TYR A 92 -3.297 50.214 72.416 1.00 12.44 C ATOM 1424 C TYR A 92 -2.900 51.368 71.502 1.00 65.43 C ATOM 1425 O TYR A 92 -3.085 52.537 71.839 1.00 12.35 O ATOM 1426 CB TYR A 92 -2.072 49.354 72.733 1.00 3.43 C ATOM 1427 CG TYR A 92 -1.419 49.693 74.054 1.00 52.12 C ATOM 1428 CD1 TYR A 92 -2.105 49.534 75.252 1.00 61.15 C ATOM 1429 CD2 TYR A 92 -0.116 50.173 74.105 1.00 73.51 C ATOM 1430 CE1 TYR A 92 -1.513 49.844 76.461 1.00 45.33 C ATOM 1431 CE2 TYR A 92 0.484 50.484 75.309 1.00 42.02 C ATOM 1432 CZ TYR A 92 -0.218 50.317 76.484 1.00 52.25 C ATOM 1433 OH TYR A 92 0.377 50.628 77.686 1.00 5.24 O ATOM 0 H TYR A 92 -4.212 48.395 71.917 1.00 12.11 H new ATOM 0 HA TYR A 92 -3.691 50.629 73.344 1.00 12.44 H new ATOM 0 HB2 TYR A 92 -2.368 48.305 72.742 1.00 3.43 H new ATOM 0 HB3 TYR A 92 -1.339 49.472 71.934 1.00 3.43 H new ATOM 0 HD1 TYR A 92 -3.119 49.162 75.238 1.00 61.15 H new ATOM 0 HD2 TYR A 92 0.437 50.305 73.187 1.00 73.51 H new ATOM 0 HE1 TYR A 92 -2.061 49.717 77.383 1.00 45.33 H new ATOM 0 HE2 TYR A 92 1.498 50.856 75.330 1.00 42.02 H new ATOM 0 HH TYR A 92 1.290 50.946 77.526 1.00 5.24 H new ATOM 1443 N THR A 93 -2.351 51.030 70.339 1.00 41.04 N ATOM 1444 CA THR A 93 -1.926 52.036 69.373 1.00 0.54 C ATOM 1445 C THR A 93 -3.062 52.998 69.045 1.00 43.31 C ATOM 1446 O THR A 93 -2.919 54.212 69.184 1.00 52.54 O ATOM 1447 CB THR A 93 -1.426 51.386 68.069 1.00 74.35 C ATOM 1448 OG1 THR A 93 -2.452 50.561 67.508 1.00 62.14 O ATOM 1449 CG2 THR A 93 -0.180 50.553 68.323 1.00 51.53 C ATOM 0 H THR A 93 -2.190 50.067 70.043 1.00 41.04 H new ATOM 0 HA THR A 93 -1.107 52.589 69.832 1.00 0.54 H new ATOM 0 HB THR A 93 -1.175 52.180 67.366 1.00 74.35 H new ATOM 0 HG1 THR A 93 -2.518 49.728 68.020 1.00 62.14 H new ATOM 0 HG21 THR A 93 0.154 50.104 67.388 1.00 51.53 H new ATOM 0 HG22 THR A 93 0.609 51.191 68.722 1.00 51.53 H new ATOM 0 HG23 THR A 93 -0.409 49.766 69.042 1.00 51.53 H new ATOM 1457 N ALA A 94 -4.191 52.447 68.611 1.00 44.45 N ATOM 1458 CA ALA A 94 -5.352 53.257 68.266 1.00 24.23 C ATOM 1459 C ALA A 94 -5.640 54.293 69.348 1.00 22.45 C ATOM 1460 O ALA A 94 -5.974 55.439 69.049 1.00 52.43 O ATOM 1461 CB ALA A 94 -6.568 52.369 68.046 1.00 32.53 C ATOM 0 H ALA A 94 -4.326 51.443 68.490 1.00 44.45 H new ATOM 0 HA ALA A 94 -5.131 53.789 67.340 1.00 24.23 H new ATOM 0 HB1 ALA A 94 -7.428 52.987 67.789 1.00 32.53 H new ATOM 0 HB2 ALA A 94 -6.367 51.671 67.233 1.00 32.53 H new ATOM 0 HB3 ALA A 94 -6.781 51.812 68.958 1.00 32.53 H new ATOM 1467 N MET A 95 -5.511 53.880 70.604 1.00 53.53 N ATOM 1468 CA MET A 95 -5.758 54.773 71.731 1.00 42.24 C ATOM 1469 C MET A 95 -4.787 55.949 71.714 1.00 72.14 C ATOM 1470 O MET A 95 -5.131 57.058 72.126 1.00 74.20 O ATOM 1471 CB MET A 95 -5.630 54.011 73.051 1.00 43.43 C ATOM 1472 CG MET A 95 -6.959 53.791 73.757 1.00 64.24 C ATOM 1473 SD MET A 95 -6.843 52.592 75.097 1.00 45.12 S ATOM 1474 CE MET A 95 -8.561 52.460 75.583 1.00 35.43 C ATOM 0 H MET A 95 -5.237 52.933 70.868 1.00 53.53 H new ATOM 0 HA MET A 95 -6.773 55.160 71.640 1.00 42.24 H new ATOM 0 HB2 MET A 95 -5.165 53.044 72.859 1.00 43.43 H new ATOM 0 HB3 MET A 95 -4.962 54.560 73.715 1.00 43.43 H new ATOM 0 HG2 MET A 95 -7.316 54.741 74.155 1.00 64.24 H new ATOM 0 HG3 MET A 95 -7.699 53.450 73.033 1.00 64.24 H new ATOM 0 HE1 MET A 95 -8.653 51.751 76.406 1.00 35.43 H new ATOM 0 HE2 MET A 95 -8.925 53.437 75.902 1.00 35.43 H new ATOM 0 HE3 MET A 95 -9.153 52.111 74.737 1.00 35.43 H new ATOM 1484 N LEU A 96 -3.572 55.703 71.235 1.00 2.33 N ATOM 1485 CA LEU A 96 -2.552 56.742 71.165 1.00 43.23 C ATOM 1486 C LEU A 96 -2.781 57.650 69.961 1.00 42.14 C ATOM 1487 O LEU A 96 -2.882 58.868 70.101 1.00 60.24 O ATOM 1488 CB LEU A 96 -1.159 56.113 71.086 1.00 24.12 C ATOM 1489 CG LEU A 96 -1.016 54.720 71.702 1.00 2.43 C ATOM 1490 CD1 LEU A 96 0.426 54.245 71.618 1.00 15.41 C ATOM 1491 CD2 LEU A 96 -1.495 54.724 73.146 1.00 34.25 C ATOM 0 H LEU A 96 -3.270 54.792 70.889 1.00 2.33 H new ATOM 0 HA LEU A 96 -2.621 57.345 72.070 1.00 43.23 H new ATOM 0 HB2 LEU A 96 -0.867 56.057 70.037 1.00 24.12 H new ATOM 0 HB3 LEU A 96 -0.452 56.781 71.579 1.00 24.12 H new ATOM 0 HG LEU A 96 -1.639 54.027 71.136 1.00 2.43 H new ATOM 0 HD11 LEU A 96 0.509 53.253 72.061 1.00 15.41 H new ATOM 0 HD12 LEU A 96 0.735 54.203 70.574 1.00 15.41 H new ATOM 0 HD13 LEU A 96 1.070 54.939 72.159 1.00 15.41 H new ATOM 0 HD21 LEU A 96 -1.386 53.725 73.568 1.00 34.25 H new ATOM 0 HD22 LEU A 96 -0.899 55.430 73.725 1.00 34.25 H new ATOM 0 HD23 LEU A 96 -2.543 55.020 73.181 1.00 34.25 H new ATOM 1503 N ARG A 97 -2.863 57.047 68.780 1.00 72.42 N ATOM 1504 CA ARG A 97 -3.082 57.802 67.551 1.00 5.43 C ATOM 1505 C ARG A 97 -4.422 58.529 67.591 1.00 21.54 C ATOM 1506 O ARG A 97 -4.556 59.631 67.061 1.00 30.11 O ATOM 1507 CB ARG A 97 -3.031 56.869 66.339 1.00 1.42 C ATOM 1508 CG ARG A 97 -3.921 55.644 66.475 1.00 32.31 C ATOM 1509 CD ARG A 97 -3.239 54.398 65.935 1.00 4.21 C ATOM 1510 NE ARG A 97 -3.998 53.787 64.847 1.00 62.51 N ATOM 1511 CZ ARG A 97 -3.999 54.250 63.601 1.00 3.30 C ATOM 1512 NH1 ARG A 97 -3.285 55.323 63.290 1.00 64.43 N ATOM 1513 NH2 ARG A 97 -4.714 53.640 62.666 1.00 23.41 N ATOM 0 H ARG A 97 -2.781 56.039 68.647 1.00 72.42 H new ATOM 0 HA ARG A 97 -2.289 58.544 67.464 1.00 5.43 H new ATOM 0 HB2 ARG A 97 -3.327 57.426 65.450 1.00 1.42 H new ATOM 0 HB3 ARG A 97 -2.002 56.545 66.184 1.00 1.42 H new ATOM 0 HG2 ARG A 97 -4.178 55.494 67.524 1.00 32.31 H new ATOM 0 HG3 ARG A 97 -4.855 55.810 65.939 1.00 32.31 H new ATOM 0 HD2 ARG A 97 -2.241 54.656 65.581 1.00 4.21 H new ATOM 0 HD3 ARG A 97 -3.114 53.675 66.741 1.00 4.21 H new ATOM 0 HE ARG A 97 -4.558 52.960 65.055 1.00 62.51 H new ATOM 0 HH11 ARG A 97 -2.734 55.794 64.007 1.00 64.43 H new ATOM 0 HH12 ARG A 97 -3.287 55.677 62.333 1.00 64.43 H new ATOM 0 HH21 ARG A 97 -5.264 52.814 62.902 1.00 23.41 H new ATOM 0 HH22 ARG A 97 -4.714 53.996 61.710 1.00 23.41 H new ATOM 1527 N GLU A 98 -5.410 57.904 68.222 1.00 15.42 N ATOM 1528 CA GLU A 98 -6.741 58.492 68.331 1.00 63.44 C ATOM 1529 C GLU A 98 -6.780 59.552 69.426 1.00 52.32 C ATOM 1530 O GLU A 98 -7.175 60.693 69.187 1.00 14.41 O ATOM 1531 CB GLU A 98 -7.781 57.407 68.617 1.00 10.43 C ATOM 1532 CG GLU A 98 -9.198 57.940 68.743 1.00 21.02 C ATOM 1533 CD GLU A 98 -10.216 56.842 68.981 1.00 12.42 C ATOM 1534 OE1 GLU A 98 -9.986 56.007 69.882 1.00 12.41 O ATOM 1535 OE2 GLU A 98 -11.241 56.817 68.269 1.00 0.31 O ATOM 0 H GLU A 98 -5.315 56.991 68.666 1.00 15.42 H new ATOM 0 HA GLU A 98 -6.978 58.969 67.380 1.00 63.44 H new ATOM 0 HB2 GLU A 98 -7.750 56.666 67.818 1.00 10.43 H new ATOM 0 HB3 GLU A 98 -7.512 56.892 69.539 1.00 10.43 H new ATOM 0 HG2 GLU A 98 -9.241 58.655 69.565 1.00 21.02 H new ATOM 0 HG3 GLU A 98 -9.460 58.482 67.835 1.00 21.02 H new ATOM 1542 N ARG A 99 -6.367 59.166 70.630 1.00 71.15 N ATOM 1543 CA ARG A 99 -6.356 60.084 71.763 1.00 4.44 C ATOM 1544 C ARG A 99 -5.153 61.019 71.695 1.00 43.32 C ATOM 1545 O ARG A 99 -5.304 62.239 71.652 1.00 74.12 O ATOM 1546 CB ARG A 99 -6.334 59.301 73.078 1.00 40.55 C ATOM 1547 CG ARG A 99 -6.784 60.115 74.279 1.00 35.03 C ATOM 1548 CD ARG A 99 -8.235 59.827 74.634 1.00 54.22 C ATOM 1549 NE ARG A 99 -8.689 60.626 75.771 1.00 62.03 N ATOM 1550 CZ ARG A 99 -9.969 60.852 76.045 1.00 5.21 C ATOM 1551 NH1 ARG A 99 -10.916 60.342 75.271 1.00 33.54 N ATOM 1552 NH2 ARG A 99 -10.303 61.589 77.097 1.00 43.11 N ATOM 0 H ARG A 99 -6.036 58.225 70.845 1.00 71.15 H new ATOM 0 HA ARG A 99 -7.263 60.686 71.720 1.00 4.44 H new ATOM 0 HB2 ARG A 99 -6.977 58.426 72.981 1.00 40.55 H new ATOM 0 HB3 ARG A 99 -5.323 58.935 73.256 1.00 40.55 H new ATOM 0 HG2 ARG A 99 -6.147 59.888 75.134 1.00 35.03 H new ATOM 0 HG3 ARG A 99 -6.664 61.177 74.066 1.00 35.03 H new ATOM 0 HD2 ARG A 99 -8.867 60.033 73.770 1.00 54.22 H new ATOM 0 HD3 ARG A 99 -8.348 58.768 74.867 1.00 54.22 H new ATOM 0 HE ARG A 99 -7.985 61.032 76.387 1.00 62.03 H new ATOM 0 HH11 ARG A 99 -10.663 59.774 74.462 1.00 33.54 H new ATOM 0 HH12 ARG A 99 -11.898 60.517 75.484 1.00 33.54 H new ATOM 0 HH21 ARG A 99 -9.577 61.982 77.696 1.00 43.11 H new ATOM 0 HH22 ARG A 99 -11.286 61.762 77.307 1.00 43.11 H new ATOM 1566 N PHE A 100 -3.957 60.437 71.686 1.00 33.54 N ATOM 1567 CA PHE A 100 -2.728 61.218 71.624 1.00 53.04 C ATOM 1568 C PHE A 100 -2.759 62.362 72.634 1.00 50.51 C ATOM 1569 O PHE A 100 -2.189 63.427 72.401 1.00 25.31 O ATOM 1570 CB PHE A 100 -2.522 61.775 70.214 1.00 10.52 C ATOM 1571 CG PHE A 100 -3.588 62.746 69.792 1.00 25.42 C ATOM 1572 CD1 PHE A 100 -4.743 62.299 69.171 1.00 13.21 C ATOM 1573 CD2 PHE A 100 -3.433 64.104 70.012 1.00 74.22 C ATOM 1574 CE1 PHE A 100 -5.727 63.189 68.781 1.00 5.21 C ATOM 1575 CE2 PHE A 100 -4.412 65.000 69.625 1.00 25.52 C ATOM 1576 CZ PHE A 100 -5.559 64.541 69.007 1.00 11.24 C ATOM 0 H PHE A 100 -3.814 59.428 71.721 1.00 33.54 H new ATOM 0 HA PHE A 100 -1.896 60.559 71.872 1.00 53.04 H new ATOM 0 HB2 PHE A 100 -1.552 62.269 70.165 1.00 10.52 H new ATOM 0 HB3 PHE A 100 -2.494 60.947 69.505 1.00 10.52 H new ATOM 0 HD1 PHE A 100 -4.876 61.243 68.989 1.00 13.21 H new ATOM 0 HD2 PHE A 100 -2.536 64.468 70.492 1.00 74.22 H new ATOM 0 HE1 PHE A 100 -6.624 62.828 68.301 1.00 5.21 H new ATOM 0 HE2 PHE A 100 -4.280 66.057 69.805 1.00 25.52 H new ATOM 0 HZ PHE A 100 -6.324 65.239 68.701 1.00 11.24 H new ATOM 1586 N ALA A 101 -3.430 62.132 73.758 1.00 54.04 N ATOM 1587 CA ALA A 101 -3.535 63.141 74.806 1.00 20.14 C ATOM 1588 C ALA A 101 -2.361 63.051 75.774 1.00 14.24 C ATOM 1589 O ALA A 101 -1.862 64.067 76.257 1.00 24.25 O ATOM 1590 CB ALA A 101 -4.852 62.991 75.553 1.00 73.45 C ATOM 0 H ALA A 101 -3.909 61.256 73.966 1.00 54.04 H new ATOM 0 HA ALA A 101 -3.508 64.123 74.335 1.00 20.14 H new ATOM 0 HB1 ALA A 101 -4.917 63.750 76.332 1.00 73.45 H new ATOM 0 HB2 ALA A 101 -5.681 63.114 74.857 1.00 73.45 H new ATOM 0 HB3 ALA A 101 -4.903 62.001 76.006 1.00 73.45 H new ATOM 1596 N GLY A 102 -1.926 61.826 76.057 1.00 62.43 N ATOM 1597 CA GLY A 102 -0.814 61.627 76.969 1.00 23.15 C ATOM 1598 C GLY A 102 0.529 61.692 76.269 1.00 22.43 C ATOM 1599 O GLY A 102 1.350 62.561 76.565 1.00 62.41 O ATOM 0 H GLY A 102 -2.323 60.969 75.672 1.00 62.43 H new ATOM 0 HA2 GLY A 102 -0.850 62.385 77.751 1.00 23.15 H new ATOM 0 HA3 GLY A 102 -0.919 60.659 77.459 1.00 23.15 H new ATOM 1603 N LEU A 103 0.755 60.771 75.338 1.00 10.41 N ATOM 1604 CA LEU A 103 2.009 60.726 74.595 1.00 50.33 C ATOM 1605 C LEU A 103 2.492 62.133 74.257 1.00 24.31 C ATOM 1606 O LEU A 103 3.692 62.376 74.136 1.00 44.34 O ATOM 1607 CB LEU A 103 1.835 59.912 73.312 1.00 5.40 C ATOM 1608 CG LEU A 103 0.718 60.368 72.374 1.00 1.24 C ATOM 1609 CD1 LEU A 103 1.252 61.352 71.345 1.00 31.15 C ATOM 1610 CD2 LEU A 103 0.076 59.170 71.687 1.00 72.22 C ATOM 0 H LEU A 103 0.086 60.046 75.080 1.00 10.41 H new ATOM 0 HA LEU A 103 2.759 60.246 75.224 1.00 50.33 H new ATOM 0 HB2 LEU A 103 2.776 59.933 72.762 1.00 5.40 H new ATOM 0 HB3 LEU A 103 1.650 58.874 73.587 1.00 5.40 H new ATOM 0 HG LEU A 103 -0.044 60.873 72.967 1.00 1.24 H new ATOM 0 HD11 LEU A 103 0.442 61.665 70.686 1.00 31.15 H new ATOM 0 HD12 LEU A 103 1.663 62.224 71.854 1.00 31.15 H new ATOM 0 HD13 LEU A 103 2.034 60.874 70.756 1.00 31.15 H new ATOM 0 HD21 LEU A 103 -0.717 59.513 71.023 1.00 72.22 H new ATOM 0 HD22 LEU A 103 0.829 58.636 71.107 1.00 72.22 H new ATOM 0 HD23 LEU A 103 -0.344 58.502 72.439 1.00 72.22 H new