USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 641 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 SER OG : rot 140:sc= 0.545 USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.436 USER MOD Set 2.1: A 38 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.011) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -70:sc= -0.594 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0651 USER MOD Single : A 36 SER OG : rot 180:sc= 0.491 USER MOD Single : A 39 ASN : amide:sc= -0.0135 X(o=-0.013,f=-0.23) USER MOD Single : A 41 SER OG : rot 180:sc= -0.562 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.00585 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -2.32 K(o=-2.3,f=-0.72) USER MOD Single : A 65 GLN : amide:sc= -3.38! C(o=-3.4!,f=-8.4!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -138:sc= -1.14 (180deg=-3.71!) USER MOD Single : A 73 GLN : amide:sc= -0.495 X(o=-0.5,f=-0.32) USER MOD Single : A 76 HIS : no HD1:sc= -1.75! K(o=-1.7!,f=-0.74) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.21 K(o=-0.21,f=-0.77!) USER MOD Single : A 92 ASN : amide:sc= -2.23 X(o=-2.2,f=-2.2!) USER MOD Single : A 95 HIS : no HE2:sc= -1.7 K(o=-1.7,f=-6!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 243 N ARG A 18 7.491 37.901 8.601 1.00 33.52 N ATOM 244 CA ARG A 18 7.428 37.104 9.821 1.00 13.22 C ATOM 245 C ARG A 18 7.014 35.669 9.511 1.00 32.13 C ATOM 246 O ARG A 18 5.866 35.388 9.167 1.00 45.04 O ATOM 247 CB ARG A 18 6.444 37.728 10.813 1.00 74.21 C ATOM 248 CG ARG A 18 6.603 37.213 12.234 1.00 51.14 C ATOM 249 CD ARG A 18 5.898 35.879 12.425 1.00 72.54 C ATOM 250 NE ARG A 18 5.771 35.525 13.837 1.00 24.34 N ATOM 251 CZ ARG A 18 6.775 35.057 14.570 1.00 34.35 C ATOM 252 NH1 ARG A 18 7.974 34.886 14.029 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 6.581 34.756 15.848 1.00 44.41 N ATOM 0 HA ARG A 18 8.422 37.089 10.268 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.576 38.810 10.811 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.427 37.530 10.476 1.00 74.21 H new ATOM 0 HG2 ARG A 18 7.662 37.102 12.466 1.00 51.14 H new ATOM 0 HG3 ARG A 18 6.198 37.943 12.934 1.00 51.14 H new ATOM 0 HD2 ARG A 18 4.908 35.924 11.972 1.00 72.54 H new ATOM 0 HD3 ARG A 18 6.452 35.098 11.904 1.00 72.54 H new ATOM 0 HE ARG A 18 4.862 35.644 14.284 1.00 24.34 H new ATOM 0 HH11 ARG A 18 8.128 35.114 13.047 1.00 13.44 H new ATOM 0 HH12 ARG A 18 8.742 34.526 14.595 1.00 13.44 H new ATOM 0 HH21 ARG A 18 5.660 34.884 16.268 1.00 44.41 H new ATOM 0 HH22 ARG A 18 7.353 34.397 16.410 1.00 44.41 H new ATOM 267 N PRO A 19 7.971 34.737 9.635 1.00 42.30 N ATOM 268 CA PRO A 19 7.731 33.315 9.374 1.00 72.54 C ATOM 269 C PRO A 19 6.834 32.675 10.428 1.00 40.44 C ATOM 270 O PRO A 19 7.010 32.898 11.627 1.00 14.01 O ATOM 271 CB PRO A 19 9.133 32.703 9.421 1.00 10.11 C ATOM 272 CG PRO A 19 9.919 33.626 10.287 1.00 63.22 C ATOM 273 CD PRO A 19 9.363 35.000 10.041 1.00 44.21 C ATOM 0 HA PRO A 19 7.214 33.157 8.428 1.00 72.54 H new ATOM 0 HB2 PRO A 19 9.111 31.695 9.834 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.567 32.630 8.424 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.826 33.350 11.337 1.00 63.22 H new ATOM 0 HG3 PRO A 19 10.980 33.584 10.040 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.410 35.619 10.937 1.00 44.21 H new ATOM 0 HD3 PRO A 19 9.917 35.524 9.262 1.00 44.21 H new ATOM 281 N THR A 20 5.873 31.877 9.975 1.00 65.22 N ATOM 282 CA THR A 20 4.948 31.205 10.880 1.00 1.42 C ATOM 283 C THR A 20 5.234 29.709 10.946 1.00 44.04 C ATOM 284 O THR A 20 5.286 29.031 9.920 1.00 14.52 O ATOM 285 CB THR A 20 3.485 31.418 10.449 1.00 74.14 C ATOM 286 OG1 THR A 20 3.289 32.775 10.036 1.00 14.13 O ATOM 287 CG2 THR A 20 2.532 31.085 11.587 1.00 21.30 C ATOM 0 H THR A 20 5.714 31.680 8.987 1.00 65.22 H new ATOM 0 HA THR A 20 5.095 31.645 11.866 1.00 1.42 H new ATOM 0 HB THR A 20 3.274 30.751 9.613 1.00 74.14 H new ATOM 0 HG1 THR A 20 3.338 33.365 10.817 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.505 31.243 11.259 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.664 30.043 11.879 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.744 31.730 12.440 1.00 21.30 H new ATOM 295 N VAL A 21 5.418 29.199 12.160 1.00 72.24 N ATOM 296 CA VAL A 21 5.696 27.782 12.360 1.00 21.13 C ATOM 297 C VAL A 21 4.441 27.030 12.788 1.00 13.22 C ATOM 298 O VAL A 21 3.786 27.399 13.764 1.00 54.24 O ATOM 299 CB VAL A 21 6.795 27.570 13.419 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.422 28.264 14.720 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.034 26.085 13.647 1.00 62.22 C ATOM 0 H VAL A 21 5.379 29.747 13.020 1.00 72.24 H new ATOM 0 HA VAL A 21 6.042 27.389 11.404 1.00 21.13 H new ATOM 0 HB VAL A 21 7.721 28.012 13.052 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.209 28.104 15.457 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.304 29.333 14.541 1.00 41.02 H new ATOM 0 HG13 VAL A 21 5.485 27.853 15.096 1.00 41.02 H new ATOM 0 HG21 VAL A 21 7.813 25.953 14.398 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.113 25.617 13.994 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.348 25.619 12.713 1.00 62.22 H new ATOM 311 N ILE A 22 4.111 25.975 12.053 1.00 3.43 N ATOM 312 CA ILE A 22 2.934 25.169 12.358 1.00 12.44 C ATOM 313 C ILE A 22 3.314 23.713 12.603 1.00 32.43 C ATOM 314 O ILE A 22 4.020 23.102 11.802 1.00 24.12 O ATOM 315 CB ILE A 22 1.898 25.234 11.221 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.627 26.688 10.829 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.608 24.543 11.639 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.597 26.837 9.732 1.00 60.50 C ATOM 0 H ILE A 22 4.641 25.657 11.242 1.00 3.43 H new ATOM 0 HA ILE A 22 2.493 25.584 13.264 1.00 12.44 H new ATOM 0 HB ILE A 22 2.302 24.713 10.353 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.290 27.236 11.709 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.560 27.148 10.505 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.114 24.597 10.825 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.814 23.498 11.872 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.199 25.038 12.520 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.456 27.894 9.506 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.940 26.318 8.837 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.349 26.407 10.060 1.00 60.50 H new ATOM 330 N ARG A 23 2.837 23.162 13.715 1.00 11.32 N ATOM 331 CA ARG A 23 3.126 21.777 14.066 1.00 71.41 C ATOM 332 C ARG A 23 1.914 20.886 13.805 1.00 72.25 C ATOM 333 O ARG A 23 0.772 21.337 13.889 1.00 15.13 O ATOM 334 CB ARG A 23 3.539 21.676 15.536 1.00 10.01 C ATOM 335 CG ARG A 23 3.722 20.247 16.020 1.00 51.15 C ATOM 336 CD ARG A 23 4.052 20.200 17.503 1.00 13.14 C ATOM 337 NE ARG A 23 5.363 19.606 17.753 1.00 73.24 N ATOM 338 CZ ARG A 23 6.501 20.288 17.698 1.00 1.22 C ATOM 339 NH1 ARG A 23 6.490 21.581 17.404 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 7.655 19.677 17.940 1.00 60.42 N ATOM 0 H ARG A 23 2.249 23.654 14.388 1.00 11.32 H new ATOM 0 HA ARG A 23 3.950 21.434 13.440 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.471 22.222 15.681 1.00 10.01 H new ATOM 0 HB3 ARG A 23 2.784 22.165 16.151 1.00 10.01 H new ATOM 0 HG2 ARG A 23 2.812 19.678 15.830 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.521 19.769 15.453 1.00 51.15 H new ATOM 0 HD2 ARG A 23 4.028 21.210 17.912 1.00 13.14 H new ATOM 0 HD3 ARG A 23 3.288 19.625 18.027 1.00 13.14 H new ATOM 0 HE ARG A 23 5.407 18.613 17.982 1.00 73.24 H new ATOM 0 HH11 ARG A 23 5.606 22.055 17.219 1.00 61.23 H new ATOM 0 HH12 ARG A 23 7.366 22.102 17.363 1.00 61.23 H new ATOM 0 HH21 ARG A 23 7.668 18.683 18.168 1.00 60.42 H new ATOM 0 HH22 ARG A 23 8.529 20.202 17.897 1.00 60.42 H new ATOM 354 N TRP A 24 2.172 19.623 13.489 1.00 3.23 N ATOM 355 CA TRP A 24 1.103 18.670 13.215 1.00 15.23 C ATOM 356 C TRP A 24 1.260 17.416 14.069 1.00 63.45 C ATOM 357 O TRP A 24 2.349 16.853 14.166 1.00 54.01 O ATOM 358 CB TRP A 24 1.093 18.294 11.733 1.00 72.25 C ATOM 359 CG TRP A 24 0.184 17.146 11.416 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.553 15.852 11.176 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.242 17.187 11.305 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.560 15.087 10.922 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.674 15.882 10.995 1.00 15.10 C ATOM 364 CE3 TRP A 24 -2.197 18.198 11.438 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -3.017 15.566 10.816 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.531 17.883 11.260 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.931 16.575 10.953 1.00 33.23 C ATOM 0 H TRP A 24 3.112 19.235 13.416 1.00 3.23 H new ATOM 0 HA TRP A 24 0.155 19.144 13.468 1.00 15.23 H new ATOM 0 HB2 TRP A 24 0.788 19.162 11.148 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.107 18.041 11.423 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.569 15.485 11.185 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.557 14.089 10.713 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.898 19.208 11.676 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.327 14.559 10.577 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.277 18.657 11.359 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.981 16.359 10.822 1.00 33.23 H new ATOM 378 N SER A 25 0.164 16.984 14.684 1.00 32.42 N ATOM 379 CA SER A 25 0.182 15.797 15.533 1.00 61.31 C ATOM 380 C SER A 25 -0.909 14.816 15.117 1.00 1.43 C ATOM 381 O SER A 25 -2.099 15.107 15.235 1.00 0.20 O ATOM 382 CB SER A 25 -0.004 16.191 17.000 1.00 74.14 C ATOM 383 OG SER A 25 0.500 15.188 17.864 1.00 11.02 O ATOM 0 H SER A 25 -0.747 17.437 14.611 1.00 32.42 H new ATOM 0 HA SER A 25 1.150 15.310 15.414 1.00 61.31 H new ATOM 0 HB2 SER A 25 0.507 17.134 17.194 1.00 74.14 H new ATOM 0 HB3 SER A 25 -1.062 16.354 17.205 1.00 74.14 H new ATOM 0 HG SER A 25 0.371 15.464 18.796 1.00 11.02 H new ATOM 389 N GLU A 26 -0.494 13.651 14.628 1.00 53.04 N ATOM 390 CA GLU A 26 -1.434 12.627 14.192 1.00 60.10 C ATOM 391 C GLU A 26 -0.762 11.257 14.139 1.00 74.23 C ATOM 392 O GLU A 26 -1.253 10.289 14.718 1.00 22.33 O ATOM 393 CB GLU A 26 -2.008 12.979 12.818 1.00 62.15 C ATOM 394 CG GLU A 26 -3.294 12.240 12.488 1.00 12.22 C ATOM 395 CD GLU A 26 -4.364 12.430 13.544 1.00 34.13 C ATOM 396 OE1 GLU A 26 -4.776 13.586 13.771 1.00 23.12 O1- ATOM 397 OE2 GLU A 26 -4.790 11.421 14.144 1.00 61.43 O ATOM 0 H GLU A 26 0.488 13.394 14.524 1.00 53.04 H new ATOM 0 HA GLU A 26 -2.247 12.586 14.917 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -2.194 14.052 12.776 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -1.264 12.754 12.054 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.672 12.588 11.527 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -3.080 11.177 12.380 1.00 12.22 H new ATOM 404 N GLY A 27 0.366 11.186 13.439 1.00 15.14 N ATOM 405 CA GLY A 27 1.088 9.932 13.321 1.00 4.13 C ATOM 406 C GLY A 27 1.153 9.432 11.891 1.00 73.25 C ATOM 407 O GLY A 27 1.013 8.236 11.638 1.00 40.05 O ATOM 0 H GLY A 27 0.793 11.974 12.952 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.100 10.062 13.703 1.00 4.13 H new ATOM 0 HA3 GLY A 27 0.606 9.179 13.944 1.00 4.13 H new ATOM 411 N GLY A 28 1.365 10.351 10.954 1.00 1.41 N ATOM 412 CA GLY A 28 1.441 9.978 9.553 1.00 61.23 C ATOM 413 C GLY A 28 2.870 9.901 9.053 1.00 31.04 C ATOM 414 O GLY A 28 3.799 10.336 9.733 1.00 11.20 O ATOM 0 H GLY A 28 1.485 11.347 11.140 1.00 1.41 H new ATOM 0 HA2 GLY A 28 0.956 9.012 9.410 1.00 61.23 H new ATOM 0 HA3 GLY A 28 0.888 10.704 8.956 1.00 61.23 H new ATOM 418 N LYS A 29 3.047 9.343 7.859 1.00 2.02 N ATOM 419 CA LYS A 29 4.372 9.210 7.266 1.00 70.24 C ATOM 420 C LYS A 29 4.722 10.438 6.432 1.00 44.33 C ATOM 421 O LYS A 29 5.795 11.020 6.588 1.00 44.34 O ATOM 422 CB LYS A 29 4.440 7.953 6.395 1.00 33.13 C ATOM 423 CG LYS A 29 4.189 6.667 7.163 1.00 54.20 C ATOM 424 CD LYS A 29 3.220 5.758 6.427 1.00 2.42 C ATOM 425 CE LYS A 29 3.951 4.661 5.668 1.00 32.15 C ATOM 426 NZ LYS A 29 3.012 3.793 4.904 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.289 8.976 7.284 1.00 2.02 H new ATOM 0 HA LYS A 29 5.097 9.124 8.075 1.00 70.24 H new ATOM 0 HB2 LYS A 29 3.706 8.037 5.593 1.00 33.13 H new ATOM 0 HB3 LYS A 29 5.422 7.900 5.925 1.00 33.13 H new ATOM 0 HG2 LYS A 29 5.133 6.145 7.318 1.00 54.20 H new ATOM 0 HG3 LYS A 29 3.790 6.903 8.149 1.00 54.20 H new ATOM 0 HD2 LYS A 29 2.528 5.310 7.140 1.00 2.42 H new ATOM 0 HD3 LYS A 29 2.623 6.348 5.731 1.00 2.42 H new ATOM 0 HE2 LYS A 29 4.669 5.111 4.982 1.00 32.15 H new ATOM 0 HE3 LYS A 29 4.520 4.051 6.370 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 3.550 3.058 4.401 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 2.342 3.343 5.561 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 2.487 4.370 4.216 1.00 31.05 H new ATOM 440 N GLU A 30 3.808 10.827 5.548 1.00 70.41 N ATOM 441 CA GLU A 30 4.022 11.988 4.690 1.00 31.12 C ATOM 442 C GLU A 30 3.006 13.084 4.996 1.00 62.13 C ATOM 443 O GLU A 30 1.798 12.881 4.863 1.00 50.04 O ATOM 444 CB GLU A 30 3.928 11.585 3.218 1.00 52.54 C ATOM 445 CG GLU A 30 4.793 10.388 2.856 1.00 64.11 C ATOM 446 CD GLU A 30 6.274 10.670 3.018 1.00 64.32 C ATOM 447 OE1 GLU A 30 6.748 11.686 2.466 1.00 41.54 O ATOM 448 OE2 GLU A 30 6.959 9.875 3.693 1.00 24.13 O1- ATOM 0 H GLU A 30 2.914 10.357 5.407 1.00 70.41 H new ATOM 0 HA GLU A 30 5.021 12.377 4.889 1.00 31.12 H new ATOM 0 HB2 GLU A 30 2.889 11.357 2.978 1.00 52.54 H new ATOM 0 HB3 GLU A 30 4.219 12.433 2.599 1.00 52.54 H new ATOM 0 HG2 GLU A 30 4.517 9.541 3.485 1.00 64.11 H new ATOM 0 HG3 GLU A 30 4.593 10.098 1.825 1.00 64.11 H new ATOM 455 N VAL A 31 3.503 14.246 5.405 1.00 74.14 N ATOM 456 CA VAL A 31 2.639 15.375 5.729 1.00 50.44 C ATOM 457 C VAL A 31 3.020 16.609 4.918 1.00 42.45 C ATOM 458 O VAL A 31 4.202 16.903 4.735 1.00 5.15 O ATOM 459 CB VAL A 31 2.703 15.720 7.229 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.672 16.781 7.579 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.500 14.470 8.072 1.00 3.42 C ATOM 0 H VAL A 31 4.500 14.431 5.520 1.00 74.14 H new ATOM 0 HA VAL A 31 1.621 15.077 5.476 1.00 50.44 H new ATOM 0 HB VAL A 31 3.692 16.123 7.448 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.733 17.011 8.643 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.868 17.684 7.001 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.674 16.410 7.345 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.548 14.732 9.129 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.525 14.036 7.850 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.281 13.745 7.842 1.00 3.42 H new ATOM 471 N PHE A 32 2.012 17.328 4.436 1.00 3.30 N ATOM 472 CA PHE A 32 2.241 18.531 3.643 1.00 33.30 C ATOM 473 C PHE A 32 1.309 19.656 4.082 1.00 0.43 C ATOM 474 O PHE A 32 0.422 19.454 4.911 1.00 64.31 O ATOM 475 CB PHE A 32 2.037 18.234 2.156 1.00 54.22 C ATOM 476 CG PHE A 32 2.745 16.995 1.690 1.00 44.23 C ATOM 477 CD1 PHE A 32 4.052 17.057 1.235 1.00 31.12 C ATOM 478 CD2 PHE A 32 2.104 15.766 1.705 1.00 61.04 C ATOM 479 CE1 PHE A 32 4.706 15.918 0.804 1.00 15.41 C ATOM 480 CE2 PHE A 32 2.753 14.624 1.276 1.00 62.11 C ATOM 481 CZ PHE A 32 4.056 14.700 0.826 1.00 40.11 C ATOM 0 H PHE A 32 1.029 17.099 4.580 1.00 3.30 H new ATOM 0 HA PHE A 32 3.270 18.852 3.803 1.00 33.30 H new ATOM 0 HB2 PHE A 32 0.970 18.130 1.958 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.388 19.085 1.572 1.00 54.22 H new ATOM 0 HD1 PHE A 32 4.566 18.007 1.217 1.00 31.12 H new ATOM 0 HD2 PHE A 32 1.085 15.700 2.056 1.00 61.04 H new ATOM 0 HE1 PHE A 32 5.725 15.981 0.450 1.00 15.41 H new ATOM 0 HE2 PHE A 32 2.241 13.673 1.293 1.00 62.11 H new ATOM 0 HZ PHE A 32 4.566 13.809 0.492 1.00 40.11 H new ATOM 491 N ILE A 33 1.519 20.842 3.520 1.00 13.34 N ATOM 492 CA ILE A 33 0.698 22.000 3.853 1.00 72.44 C ATOM 493 C ILE A 33 0.498 22.900 2.637 1.00 11.41 C ATOM 494 O ILE A 33 1.411 23.082 1.832 1.00 13.30 O ATOM 495 CB ILE A 33 1.324 22.826 4.992 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.448 24.038 5.312 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.730 23.266 4.616 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.843 24.748 6.588 1.00 0.14 C ATOM 0 H ILE A 33 2.250 21.026 2.833 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.268 21.618 4.182 1.00 72.44 H new ATOM 0 HB ILE A 33 1.387 22.201 5.883 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.500 24.743 4.482 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.590 23.715 5.392 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.159 23.849 5.431 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.349 22.388 4.433 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.691 23.877 3.714 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.179 25.597 6.752 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.764 24.058 7.428 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.871 25.102 6.504 1.00 0.14 H new ATOM 510 N SER A 34 -0.700 23.460 2.513 1.00 74.21 N ATOM 511 CA SER A 34 -1.021 24.340 1.395 1.00 21.11 C ATOM 512 C SER A 34 -1.994 25.432 1.825 1.00 75.54 C ATOM 513 O SER A 34 -2.938 25.180 2.572 1.00 75.43 O ATOM 514 CB SER A 34 -1.618 23.534 0.240 1.00 25.35 C ATOM 515 OG SER A 34 -1.304 24.125 -1.009 1.00 52.43 O ATOM 0 H SER A 34 -1.465 23.320 3.173 1.00 74.21 H new ATOM 0 HA SER A 34 -0.098 24.813 1.060 1.00 21.11 H new ATOM 0 HB2 SER A 34 -1.237 22.513 0.269 1.00 25.35 H new ATOM 0 HB3 SER A 34 -2.700 23.473 0.356 1.00 25.35 H new ATOM 0 HG SER A 34 -1.695 23.591 -1.731 1.00 52.43 H new ATOM 521 N GLY A 35 -1.756 26.651 1.348 1.00 54.31 N ATOM 522 CA GLY A 35 -2.619 27.765 1.692 1.00 42.32 C ATOM 523 C GLY A 35 -2.511 28.910 0.705 1.00 45.21 C ATOM 524 O GLY A 35 -1.794 28.814 -0.291 1.00 21.03 O ATOM 0 H GLY A 35 -0.980 26.886 0.729 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.652 27.421 1.732 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.363 28.124 2.689 1.00 42.32 H new ATOM 528 N SER A 36 -3.226 29.996 0.979 1.00 75.24 N ATOM 529 CA SER A 36 -3.212 31.161 0.104 1.00 34.33 C ATOM 530 C SER A 36 -1.829 31.805 0.078 1.00 71.13 C ATOM 531 O SER A 36 -1.526 32.617 -0.796 1.00 4.31 O ATOM 532 CB SER A 36 -4.253 32.184 0.565 1.00 65.34 C ATOM 533 OG SER A 36 -5.554 31.812 0.144 1.00 13.12 O ATOM 0 H SER A 36 -3.823 30.093 1.801 1.00 75.24 H new ATOM 0 HA SER A 36 -3.459 30.829 -0.905 1.00 34.33 H new ATOM 0 HB2 SER A 36 -4.229 32.268 1.652 1.00 65.34 H new ATOM 0 HB3 SER A 36 -4.005 33.167 0.164 1.00 65.34 H new ATOM 0 HG SER A 36 -6.201 32.480 0.452 1.00 13.12 H new ATOM 539 N PHE A 37 -0.992 31.434 1.043 1.00 23.10 N ATOM 540 CA PHE A 37 0.359 31.975 1.132 1.00 11.12 C ATOM 541 C PHE A 37 1.244 31.413 0.022 1.00 50.51 C ATOM 542 O PHE A 37 2.283 31.983 -0.306 1.00 73.12 O ATOM 543 CB PHE A 37 0.970 31.655 2.497 1.00 22.03 C ATOM 544 CG PHE A 37 1.026 30.185 2.800 1.00 62.52 C ATOM 545 CD1 PHE A 37 2.051 29.400 2.295 1.00 4.33 C ATOM 546 CD2 PHE A 37 0.055 29.588 3.587 1.00 1.14 C ATOM 547 CE1 PHE A 37 2.105 28.047 2.572 1.00 63.12 C ATOM 548 CE2 PHE A 37 0.104 28.234 3.867 1.00 24.12 C ATOM 549 CZ PHE A 37 1.131 27.463 3.359 1.00 45.15 C ATOM 0 H PHE A 37 -1.226 30.761 1.773 1.00 23.10 H new ATOM 0 HA PHE A 37 0.299 33.057 1.013 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.979 32.065 2.539 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.390 32.156 3.272 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.815 29.850 1.679 1.00 4.33 H new ATOM 0 HD2 PHE A 37 -0.750 30.187 3.987 1.00 1.14 H new ATOM 0 HE1 PHE A 37 2.909 27.446 2.173 1.00 63.12 H new ATOM 0 HE2 PHE A 37 -0.660 27.781 4.482 1.00 24.12 H new ATOM 0 HZ PHE A 37 1.173 26.406 3.576 1.00 45.15 H new ATOM 559 N ASN A 38 0.823 30.290 -0.551 1.00 22.03 N ATOM 560 CA ASN A 38 1.576 29.650 -1.622 1.00 73.21 C ATOM 561 C ASN A 38 0.724 29.513 -2.881 1.00 65.12 C ATOM 562 O ASN A 38 1.065 28.764 -3.795 1.00 33.34 O ATOM 563 CB ASN A 38 2.070 28.272 -1.175 1.00 74.54 C ATOM 564 CG ASN A 38 3.310 27.829 -1.927 1.00 31.23 C ATOM 565 OD1 ASN A 38 4.377 28.427 -1.792 1.00 32.13 O ATOM 566 ND2 ASN A 38 3.173 26.776 -2.724 1.00 70.32 N ATOM 0 H ASN A 38 -0.036 29.805 -0.291 1.00 22.03 H new ATOM 0 HA ASN A 38 2.435 30.279 -1.853 1.00 73.21 H new ATOM 0 HB2 ASN A 38 2.286 28.296 -0.107 1.00 74.54 H new ATOM 0 HB3 ASN A 38 1.277 27.539 -1.324 1.00 74.54 H new ATOM 0 HD21 ASN A 38 3.972 26.431 -3.256 1.00 70.32 H new ATOM 0 HD22 ASN A 38 2.268 26.312 -2.804 1.00 70.32 H new ATOM 573 N ASN A 39 -0.385 30.244 -2.919 1.00 74.22 N ATOM 574 CA ASN A 39 -1.286 30.205 -4.065 1.00 43.44 C ATOM 575 C ASN A 39 -1.838 28.799 -4.276 1.00 54.22 C ATOM 576 O ASN A 39 -2.319 28.465 -5.359 1.00 61.41 O ATOM 577 CB ASN A 39 -0.560 30.675 -5.328 1.00 4.25 C ATOM 578 CG ASN A 39 -1.486 31.387 -6.295 1.00 33.23 C ATOM 579 OD1 ASN A 39 -2.208 32.309 -5.916 1.00 13.05 O ATOM 580 ND2 ASN A 39 -1.467 30.962 -7.553 1.00 32.44 N ATOM 0 H ASN A 39 -0.681 30.870 -2.170 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.120 30.877 -3.862 1.00 43.44 H new ATOM 0 HB2 ASN A 39 0.254 31.344 -5.048 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.110 29.816 -5.826 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -2.067 31.404 -8.250 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -0.852 30.194 -7.823 1.00 32.44 H new ATOM 587 N TRP A 40 -1.764 27.978 -3.234 1.00 11.01 N ATOM 588 CA TRP A 40 -2.256 26.607 -3.305 1.00 32.51 C ATOM 589 C TRP A 40 -1.677 25.882 -4.515 1.00 23.40 C ATOM 590 O TRP A 40 -2.311 24.991 -5.078 1.00 14.41 O ATOM 591 CB TRP A 40 -3.784 26.594 -3.371 1.00 1.54 C ATOM 592 CG TRP A 40 -4.432 27.429 -2.307 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.634 28.780 -2.335 1.00 31.41 C ATOM 594 CD2 TRP A 40 -4.959 26.968 -1.059 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.255 29.185 -1.179 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.466 28.093 -0.380 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.053 25.714 -0.450 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.058 27.999 0.877 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -5.640 25.623 0.799 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.137 26.759 1.450 1.00 71.30 C ATOM 0 H TRP A 40 -1.368 28.238 -2.331 1.00 11.01 H new ATOM 0 HA TRP A 40 -1.934 26.085 -2.404 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.101 26.955 -4.349 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.136 25.566 -3.281 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.348 29.433 -3.146 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.517 30.144 -0.952 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -4.674 24.832 -0.945 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.441 28.874 1.382 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -5.716 24.659 1.281 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.592 26.654 2.424 1.00 71.30 H new ATOM 611 N SER A 41 -0.467 26.269 -4.908 1.00 74.51 N ATOM 612 CA SER A 41 0.196 25.658 -6.054 1.00 24.05 C ATOM 613 C SER A 41 0.730 24.275 -5.697 1.00 42.45 C ATOM 614 O SER A 41 0.202 23.257 -6.146 1.00 72.12 O ATOM 615 CB SER A 41 1.340 26.549 -6.543 1.00 64.43 C ATOM 616 OG SER A 41 2.293 25.798 -7.274 1.00 75.12 O ATOM 0 H SER A 41 0.074 27.003 -4.450 1.00 74.51 H new ATOM 0 HA SER A 41 -0.538 25.550 -6.853 1.00 24.05 H new ATOM 0 HB2 SER A 41 0.942 27.346 -7.170 1.00 64.43 H new ATOM 0 HB3 SER A 41 1.824 27.026 -5.691 1.00 64.43 H new ATOM 0 HG SER A 41 3.013 26.390 -7.577 1.00 75.12 H new ATOM 622 N THR A 42 1.784 24.245 -4.888 1.00 73.54 N ATOM 623 CA THR A 42 2.393 22.987 -4.471 1.00 45.04 C ATOM 624 C THR A 42 2.360 22.836 -2.954 1.00 34.20 C ATOM 625 O THR A 42 2.641 23.783 -2.220 1.00 34.44 O ATOM 626 CB THR A 42 3.852 22.882 -4.954 1.00 1.10 C ATOM 627 OG1 THR A 42 4.628 23.952 -4.402 1.00 15.30 O ATOM 628 CG2 THR A 42 3.924 22.928 -6.473 1.00 52.41 C ATOM 0 H THR A 42 2.234 25.078 -4.508 1.00 73.54 H new ATOM 0 HA THR A 42 1.809 22.187 -4.926 1.00 45.04 H new ATOM 0 HB THR A 42 4.256 21.928 -4.616 1.00 1.10 H new ATOM 0 HG1 THR A 42 5.555 23.878 -4.712 1.00 15.30 H new ATOM 0 HG21 THR A 42 4.964 22.852 -6.790 1.00 52.41 H new ATOM 0 HG22 THR A 42 3.356 22.096 -6.890 1.00 52.41 H new ATOM 0 HG23 THR A 42 3.504 23.869 -6.829 1.00 52.41 H new ATOM 636 N LYS A 43 2.014 21.640 -2.491 1.00 53.21 N ATOM 637 CA LYS A 43 1.945 21.364 -1.061 1.00 62.12 C ATOM 638 C LYS A 43 3.343 21.258 -0.459 1.00 0.51 C ATOM 639 O LYS A 43 4.125 20.382 -0.832 1.00 42.43 O ATOM 640 CB LYS A 43 1.171 20.068 -0.808 1.00 42.01 C ATOM 641 CG LYS A 43 1.772 18.855 -1.497 1.00 13.53 C ATOM 642 CD LYS A 43 0.714 17.814 -1.819 1.00 24.00 C ATOM 643 CE LYS A 43 1.188 16.850 -2.895 1.00 21.13 C ATOM 644 NZ LYS A 43 2.155 15.852 -2.358 1.00 63.23 N1+ ATOM 0 H LYS A 43 1.777 20.846 -3.086 1.00 53.21 H new ATOM 0 HA LYS A 43 1.423 22.192 -0.581 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.131 19.883 0.265 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.143 20.196 -1.148 1.00 42.01 H new ATOM 0 HG2 LYS A 43 2.268 19.167 -2.416 1.00 13.53 H new ATOM 0 HG3 LYS A 43 2.535 18.413 -0.857 1.00 13.53 H new ATOM 0 HD2 LYS A 43 0.463 17.258 -0.916 1.00 24.00 H new ATOM 0 HD3 LYS A 43 -0.198 18.311 -2.151 1.00 24.00 H new ATOM 0 HE2 LYS A 43 0.330 16.331 -3.322 1.00 21.13 H new ATOM 0 HE3 LYS A 43 1.656 17.410 -3.704 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 2.455 15.213 -3.122 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 2.986 16.346 -1.974 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 1.701 15.300 -1.603 1.00 63.23 H new ATOM 658 N ILE A 44 3.650 22.155 0.472 1.00 50.11 N ATOM 659 CA ILE A 44 4.953 22.160 1.126 1.00 75.21 C ATOM 660 C ILE A 44 5.080 21.000 2.108 1.00 20.24 C ATOM 661 O ILE A 44 4.196 20.748 2.927 1.00 14.21 O ATOM 662 CB ILE A 44 5.201 23.482 1.876 1.00 5.22 C ATOM 663 CG1 ILE A 44 5.622 24.579 0.896 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.260 23.291 2.951 1.00 1.53 C ATOM 665 CD1 ILE A 44 5.103 25.951 1.265 1.00 74.32 C ATOM 0 H ILE A 44 3.015 22.887 0.790 1.00 50.11 H new ATOM 0 HA ILE A 44 5.701 22.051 0.340 1.00 75.21 H new ATOM 0 HB ILE A 44 4.273 23.788 2.358 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.710 24.612 0.846 1.00 22.10 H new ATOM 0 HG13 ILE A 44 5.265 24.321 -0.101 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.424 24.234 3.472 1.00 1.53 H new ATOM 0 HG22 ILE A 44 5.924 22.537 3.663 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.192 22.965 2.490 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.440 26.678 0.527 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.013 25.934 1.286 1.00 74.32 H new ATOM 0 HD13 ILE A 44 5.481 26.231 2.248 1.00 74.32 H new ATOM 677 N PRO A 45 6.206 20.276 2.027 1.00 42.30 N ATOM 678 CA PRO A 45 6.477 19.133 2.902 1.00 74.53 C ATOM 679 C PRO A 45 6.736 19.555 4.344 1.00 40.33 C ATOM 680 O PRO A 45 7.541 20.450 4.604 1.00 40.12 O ATOM 681 CB PRO A 45 7.736 18.510 2.292 1.00 11.42 C ATOM 682 CG PRO A 45 8.406 19.632 1.578 1.00 55.22 C ATOM 683 CD PRO A 45 7.302 20.519 1.073 1.00 3.34 C ATOM 0 HA PRO A 45 5.629 18.450 2.954 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.382 18.089 3.062 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.485 17.699 1.608 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.071 20.179 2.247 1.00 55.22 H new ATOM 0 HG3 PRO A 45 9.017 19.261 0.755 1.00 55.22 H new ATOM 0 HD2 PRO A 45 7.601 21.567 1.063 1.00 3.34 H new ATOM 0 HD3 PRO A 45 7.013 20.260 0.054 1.00 3.34 H new ATOM 691 N LEU A 46 6.051 18.905 5.279 1.00 54.51 N ATOM 692 CA LEU A 46 6.208 19.213 6.695 1.00 11.22 C ATOM 693 C LEU A 46 7.461 18.554 7.261 1.00 63.13 C ATOM 694 O LEU A 46 7.571 17.327 7.288 1.00 34.03 O ATOM 695 CB LEU A 46 4.977 18.749 7.477 1.00 1.32 C ATOM 696 CG LEU A 46 4.189 19.843 8.200 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.470 20.733 7.197 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.199 19.230 9.178 1.00 1.43 C ATOM 0 H LEU A 46 5.382 18.161 5.081 1.00 54.51 H new ATOM 0 HA LEU A 46 6.311 20.293 6.797 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.304 18.240 6.787 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.296 18.012 8.214 1.00 1.32 H new ATOM 0 HG LEU A 46 4.891 20.458 8.763 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.915 21.506 7.729 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.200 21.201 6.537 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.779 20.131 6.606 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.648 20.023 9.683 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.501 18.591 8.637 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.737 18.636 9.916 1.00 1.43 H new ATOM 710 N ILE A 47 8.403 19.375 7.712 1.00 41.44 N ATOM 711 CA ILE A 47 9.648 18.871 8.280 1.00 1.41 C ATOM 712 C ILE A 47 9.382 18.011 9.511 1.00 65.02 C ATOM 713 O ILE A 47 8.805 18.477 10.494 1.00 61.11 O ATOM 714 CB ILE A 47 10.597 20.020 8.665 1.00 11.35 C ATOM 715 CG1 ILE A 47 10.773 20.982 7.488 1.00 2.10 C ATOM 716 CG2 ILE A 47 11.942 19.469 9.113 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.304 20.315 6.238 1.00 52.21 C ATOM 0 H ILE A 47 8.328 20.392 7.695 1.00 41.44 H new ATOM 0 HA ILE A 47 10.122 18.262 7.510 1.00 1.41 H new ATOM 0 HB ILE A 47 10.158 20.571 9.497 1.00 11.35 H new ATOM 0 HG12 ILE A 47 9.813 21.447 7.262 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.454 21.781 7.781 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.602 20.294 9.382 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.800 18.821 9.978 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.389 18.896 8.301 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.404 21.056 5.445 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.278 19.874 6.447 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.613 19.534 5.921 1.00 52.21 H new ATOM 729 N LYS A 48 9.807 16.754 9.450 1.00 55.44 N ATOM 730 CA LYS A 48 9.619 15.828 10.562 1.00 2.01 C ATOM 731 C LYS A 48 10.617 16.110 11.680 1.00 4.04 C ATOM 732 O LYS A 48 11.826 15.981 11.493 1.00 74.51 O ATOM 733 CB LYS A 48 9.771 14.384 10.080 1.00 32.12 C ATOM 734 CG LYS A 48 9.143 13.362 11.012 1.00 21.33 C ATOM 735 CD LYS A 48 9.088 11.984 10.374 1.00 65.24 C ATOM 736 CE LYS A 48 8.302 11.004 11.231 1.00 55.25 C ATOM 737 NZ LYS A 48 9.165 10.338 12.246 1.00 34.55 N1+ ATOM 0 H LYS A 48 10.284 16.352 8.643 1.00 55.44 H new ATOM 0 HA LYS A 48 8.612 15.970 10.954 1.00 2.01 H new ATOM 0 HB2 LYS A 48 9.318 14.290 9.093 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.831 14.157 9.967 1.00 32.12 H new ATOM 0 HG2 LYS A 48 9.716 13.312 11.938 1.00 21.33 H new ATOM 0 HG3 LYS A 48 8.135 13.681 11.277 1.00 21.33 H new ATOM 0 HD2 LYS A 48 8.629 12.056 9.388 1.00 65.24 H new ATOM 0 HD3 LYS A 48 10.101 11.609 10.227 1.00 65.24 H new ATOM 0 HE2 LYS A 48 7.491 11.531 11.734 1.00 55.25 H new ATOM 0 HE3 LYS A 48 7.844 10.249 10.592 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 8.592 9.678 12.810 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 9.925 9.814 11.766 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 9.582 11.056 12.872 1.00 34.55 H new ATOM 751 N SER A 49 10.101 16.494 12.844 1.00 14.13 N ATOM 752 CA SER A 49 10.948 16.797 13.992 1.00 33.35 C ATOM 753 C SER A 49 11.153 15.557 14.857 1.00 3.20 C ATOM 754 O SER A 49 10.691 14.467 14.520 1.00 64.42 O ATOM 755 CB SER A 49 10.329 17.919 14.827 1.00 31.23 C ATOM 756 OG SER A 49 11.329 18.664 15.502 1.00 51.25 O ATOM 0 H SER A 49 9.102 16.602 13.017 1.00 14.13 H new ATOM 0 HA SER A 49 11.919 17.124 13.620 1.00 33.35 H new ATOM 0 HB2 SER A 49 9.752 18.581 14.181 1.00 31.23 H new ATOM 0 HB3 SER A 49 9.634 17.496 15.553 1.00 31.23 H new ATOM 0 HG SER A 49 10.908 19.376 16.027 1.00 51.25 H new ATOM 762 N HIS A 50 11.850 15.732 15.975 1.00 0.54 N ATOM 763 CA HIS A 50 12.117 14.628 16.891 1.00 22.21 C ATOM 764 C HIS A 50 10.853 14.236 17.651 1.00 65.22 C ATOM 765 O HIS A 50 10.760 13.134 18.191 1.00 14.41 O ATOM 766 CB HIS A 50 13.221 15.011 17.877 1.00 63.12 C ATOM 767 CG HIS A 50 14.589 15.030 17.266 1.00 21.12 C ATOM 768 ND1 HIS A 50 15.276 16.193 16.994 1.00 33.13 N ATOM 769 CD2 HIS A 50 15.398 14.017 16.876 1.00 30.03 C ATOM 770 CE1 HIS A 50 16.447 15.896 16.460 1.00 63.42 C ATOM 771 NE2 HIS A 50 16.546 14.582 16.379 1.00 44.14 N ATOM 0 H HIS A 50 12.240 16.627 16.269 1.00 0.54 H new ATOM 0 HA HIS A 50 12.447 13.772 16.303 1.00 22.21 H new ATOM 0 HB2 HIS A 50 13.003 15.996 18.290 1.00 63.12 H new ATOM 0 HB3 HIS A 50 13.213 14.308 18.710 1.00 63.12 H new ATOM 0 HD2 HIS A 50 15.181 12.961 16.943 1.00 30.03 H new ATOM 0 HE1 HIS A 50 17.196 16.607 16.144 1.00 63.42 H new ATOM 0 HE2 HIS A 50 17.346 14.070 16.007 1.00 44.14 H new ATOM 779 N ASN A 51 9.885 15.145 17.690 1.00 43.20 N ATOM 780 CA ASN A 51 8.628 14.894 18.384 1.00 41.32 C ATOM 781 C ASN A 51 7.493 14.669 17.392 1.00 42.34 C ATOM 782 O ASN A 51 6.798 13.653 17.446 1.00 61.52 O ATOM 783 CB ASN A 51 8.288 16.067 19.307 1.00 24.42 C ATOM 784 CG ASN A 51 9.521 16.666 19.958 1.00 75.52 C ATOM 785 OD1 ASN A 51 10.065 16.110 20.912 1.00 63.21 O ATOM 786 ND2 ASN A 51 9.966 17.807 19.444 1.00 63.41 N ATOM 0 H ASN A 51 9.947 16.063 17.249 1.00 43.20 H new ATOM 0 HA ASN A 51 8.747 13.991 18.982 1.00 41.32 H new ATOM 0 HB2 ASN A 51 7.771 16.838 18.735 1.00 24.42 H new ATOM 0 HB3 ASN A 51 7.599 15.729 20.081 1.00 24.42 H new ATOM 0 HD21 ASN A 51 10.791 18.258 19.841 1.00 63.41 H new ATOM 0 HD22 ASN A 51 9.483 18.232 18.653 1.00 63.41 H new ATOM 793 N ASP A 52 7.309 15.622 16.484 1.00 25.42 N ATOM 794 CA ASP A 52 6.259 15.527 15.477 1.00 63.14 C ATOM 795 C ASP A 52 6.620 16.339 14.238 1.00 70.31 C ATOM 796 O ASP A 52 7.719 16.885 14.138 1.00 74.35 O ATOM 797 CB ASP A 52 4.927 16.014 16.051 1.00 51.42 C ATOM 798 CG ASP A 52 4.425 15.130 17.177 1.00 61.33 C ATOM 799 OD1 ASP A 52 3.847 14.064 16.882 1.00 34.01 O ATOM 800 OD2 ASP A 52 4.610 15.508 18.352 1.00 71.33 O1- ATOM 0 H ASP A 52 7.874 16.469 16.425 1.00 25.42 H new ATOM 0 HA ASP A 52 6.160 14.481 15.188 1.00 63.14 H new ATOM 0 HB2 ASP A 52 5.044 17.034 16.418 1.00 51.42 H new ATOM 0 HB3 ASP A 52 4.181 16.044 15.256 1.00 51.42 H new ATOM 805 N PHE A 53 5.687 16.414 13.294 1.00 51.12 N ATOM 806 CA PHE A 53 5.909 17.158 12.058 1.00 12.33 C ATOM 807 C PHE A 53 5.681 18.651 12.276 1.00 22.10 C ATOM 808 O PHE A 53 4.806 19.053 13.043 1.00 32.20 O ATOM 809 CB PHE A 53 4.981 16.645 10.956 1.00 64.40 C ATOM 810 CG PHE A 53 5.253 15.223 10.557 1.00 61.34 C ATOM 811 CD1 PHE A 53 6.229 14.928 9.617 1.00 54.52 C ATOM 812 CD2 PHE A 53 4.535 14.180 11.120 1.00 54.43 C ATOM 813 CE1 PHE A 53 6.483 13.621 9.246 1.00 21.11 C ATOM 814 CE2 PHE A 53 4.786 12.871 10.755 1.00 14.33 C ATOM 815 CZ PHE A 53 5.759 12.592 9.817 1.00 53.35 C ATOM 0 H PHE A 53 4.771 15.970 13.361 1.00 51.12 H new ATOM 0 HA PHE A 53 6.944 17.006 11.751 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.948 16.728 11.294 1.00 64.40 H new ATOM 0 HB3 PHE A 53 5.082 17.285 10.080 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.798 15.730 9.169 1.00 54.52 H new ATOM 0 HD2 PHE A 53 3.770 14.393 11.853 1.00 54.43 H new ATOM 0 HE1 PHE A 53 7.245 13.405 8.512 1.00 21.11 H new ATOM 0 HE2 PHE A 53 4.221 12.067 11.203 1.00 14.33 H new ATOM 0 HZ PHE A 53 5.955 11.570 9.529 1.00 53.35 H new ATOM 825 N VAL A 54 6.476 19.470 11.593 1.00 33.42 N ATOM 826 CA VAL A 54 6.364 20.918 11.710 1.00 40.41 C ATOM 827 C VAL A 54 6.808 21.610 10.426 1.00 3.45 C ATOM 828 O VAL A 54 7.743 21.164 9.762 1.00 74.24 O ATOM 829 CB VAL A 54 7.201 21.455 12.886 1.00 62.34 C ATOM 830 CG1 VAL A 54 7.117 22.972 12.954 1.00 24.21 C ATOM 831 CG2 VAL A 54 6.744 20.828 14.194 1.00 4.44 C ATOM 0 H VAL A 54 7.205 19.154 10.953 1.00 33.42 H new ATOM 0 HA VAL A 54 5.312 21.139 11.893 1.00 40.41 H new ATOM 0 HB VAL A 54 8.243 21.181 12.722 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.715 23.332 13.791 1.00 24.21 H new ATOM 0 HG12 VAL A 54 7.497 23.399 12.026 1.00 24.21 H new ATOM 0 HG13 VAL A 54 6.079 23.273 13.093 1.00 24.21 H new ATOM 0 HG21 VAL A 54 7.346 21.218 15.015 1.00 4.44 H new ATOM 0 HG22 VAL A 54 5.695 21.070 14.366 1.00 4.44 H new ATOM 0 HG23 VAL A 54 6.863 19.746 14.140 1.00 4.44 H new ATOM 841 N ALA A 55 6.133 22.702 10.083 1.00 33.42 N ATOM 842 CA ALA A 55 6.460 23.456 8.880 1.00 64.34 C ATOM 843 C ALA A 55 6.538 24.951 9.174 1.00 43.12 C ATOM 844 O ALA A 55 5.633 25.521 9.783 1.00 20.33 O ATOM 845 CB ALA A 55 5.435 23.183 7.790 1.00 75.11 C ATOM 0 H ALA A 55 5.356 23.084 10.622 1.00 33.42 H new ATOM 0 HA ALA A 55 7.440 23.129 8.531 1.00 64.34 H new ATOM 0 HB1 ALA A 55 5.692 23.753 6.897 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.431 22.119 7.552 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.446 23.481 8.138 1.00 75.11 H new ATOM 851 N ILE A 56 7.625 25.579 8.738 1.00 4.32 N ATOM 852 CA ILE A 56 7.819 27.007 8.954 1.00 62.15 C ATOM 853 C ILE A 56 7.626 27.790 7.660 1.00 1.24 C ATOM 854 O ILE A 56 8.518 27.837 6.811 1.00 41.11 O ATOM 855 CB ILE A 56 9.221 27.306 9.518 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.436 26.555 10.834 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.403 28.803 9.720 1.00 20.32 C ATOM 858 CD1 ILE A 56 9.972 25.153 10.648 1.00 22.53 C ATOM 0 H ILE A 56 8.384 25.121 8.233 1.00 4.32 H new ATOM 0 HA ILE A 56 7.070 27.321 9.681 1.00 62.15 H new ATOM 0 HB ILE A 56 9.966 26.963 8.800 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.129 27.121 11.457 1.00 12.24 H new ATOM 0 HG13 ILE A 56 8.490 26.505 11.373 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.398 28.998 10.119 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.288 29.316 8.765 1.00 20.32 H new ATOM 0 HG23 ILE A 56 8.653 29.169 10.421 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.100 24.680 11.622 1.00 22.53 H new ATOM 0 HD12 ILE A 56 9.269 24.571 10.052 1.00 22.53 H new ATOM 0 HD13 ILE A 56 10.934 25.196 10.136 1.00 22.53 H new ATOM 870 N LEU A 57 6.458 28.406 7.516 1.00 53.34 N ATOM 871 CA LEU A 57 6.149 29.191 6.326 1.00 41.32 C ATOM 872 C LEU A 57 6.667 30.618 6.463 1.00 4.44 C ATOM 873 O LEU A 57 7.131 31.020 7.531 1.00 25.01 O ATOM 874 CB LEU A 57 4.639 29.205 6.079 1.00 22.14 C ATOM 875 CG LEU A 57 3.941 27.845 6.108 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.435 28.021 6.230 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.286 27.043 4.862 1.00 54.43 C ATOM 0 H LEU A 57 5.709 28.377 8.208 1.00 53.34 H new ATOM 0 HA LEU A 57 6.646 28.726 5.475 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.174 29.845 6.829 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.454 29.665 5.108 1.00 22.14 H new ATOM 0 HG LEU A 57 4.294 27.295 6.980 1.00 14.52 H new ATOM 0 HD11 LEU A 57 1.955 27.043 6.249 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.205 28.556 7.151 1.00 62.22 H new ATOM 0 HD13 LEU A 57 2.065 28.590 5.377 1.00 62.22 H new ATOM 0 HD21 LEU A 57 3.781 26.078 4.899 1.00 54.43 H new ATOM 0 HD22 LEU A 57 3.961 27.589 3.976 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.364 26.887 4.817 1.00 54.43 H new ATOM 889 N ASP A 58 6.583 31.380 5.378 1.00 22.22 N ATOM 890 CA ASP A 58 7.041 32.764 5.379 1.00 23.10 C ATOM 891 C ASP A 58 5.925 33.706 4.938 1.00 53.11 C ATOM 892 O ASP A 58 5.691 33.892 3.743 1.00 71.11 O ATOM 893 CB ASP A 58 8.252 32.924 4.460 1.00 60.34 C ATOM 894 CG ASP A 58 7.997 32.383 3.066 1.00 4.33 C ATOM 895 OD1 ASP A 58 7.978 31.145 2.905 1.00 64.40 O1- ATOM 896 OD2 ASP A 58 7.817 33.198 2.137 1.00 31.41 O ATOM 0 H ASP A 58 6.202 31.062 4.487 1.00 22.22 H new ATOM 0 HA ASP A 58 7.331 33.024 6.397 1.00 23.10 H new ATOM 0 HB2 ASP A 58 8.517 33.979 4.394 1.00 60.34 H new ATOM 0 HB3 ASP A 58 9.107 32.407 4.897 1.00 60.34 H new ATOM 901 N LEU A 59 5.238 34.297 5.909 1.00 12.41 N ATOM 902 CA LEU A 59 4.144 35.218 5.622 1.00 61.11 C ATOM 903 C LEU A 59 4.460 36.617 6.143 1.00 53.10 C ATOM 904 O LEU A 59 5.247 36.796 7.074 1.00 43.12 O ATOM 905 CB LEU A 59 2.844 34.710 6.248 1.00 61.24 C ATOM 906 CG LEU A 59 2.706 33.192 6.367 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.401 32.828 7.059 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.784 32.539 4.995 1.00 1.12 C ATOM 0 H LEU A 59 5.419 34.155 6.903 1.00 12.41 H new ATOM 0 HA LEU A 59 4.022 35.271 4.540 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.750 35.143 7.244 1.00 61.24 H new ATOM 0 HB3 LEU A 59 2.008 35.086 5.657 1.00 61.24 H new ATOM 0 HG LEU A 59 3.532 32.818 6.972 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.320 31.744 7.135 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.385 33.264 8.058 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.562 33.215 6.481 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.684 31.459 5.100 1.00 1.12 H new ATOM 0 HD22 LEU A 59 1.979 32.919 4.365 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.745 32.771 4.536 1.00 1.12 H new ATOM 920 N PRO A 60 3.831 37.633 5.534 1.00 72.34 N ATOM 921 CA PRO A 60 4.027 39.032 5.921 1.00 43.15 C ATOM 922 C PRO A 60 3.419 39.347 7.284 1.00 50.24 C ATOM 923 O PRO A 60 4.101 39.283 8.306 1.00 44.12 O ATOM 924 CB PRO A 60 3.301 39.810 4.820 1.00 2.43 C ATOM 925 CG PRO A 60 2.275 38.863 4.301 1.00 40.55 C ATOM 926 CD PRO A 60 2.880 37.492 4.418 1.00 50.31 C ATOM 0 HA PRO A 60 5.083 39.284 6.015 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.840 40.716 5.213 1.00 2.43 H new ATOM 0 HB3 PRO A 60 3.989 40.118 4.033 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.352 38.933 4.877 1.00 40.55 H new ATOM 0 HG3 PRO A 60 2.022 39.091 3.266 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.124 36.736 4.628 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.382 37.194 3.497 1.00 50.31 H new ATOM 934 N GLU A 61 2.134 39.686 7.291 1.00 62.44 N ATOM 935 CA GLU A 61 1.436 40.011 8.529 1.00 50.50 C ATOM 936 C GLU A 61 -0.055 40.208 8.277 1.00 12.05 C ATOM 937 O GLU A 61 -0.452 40.982 7.406 1.00 32.42 O ATOM 938 CB GLU A 61 2.030 41.273 9.159 1.00 73.34 C ATOM 939 CG GLU A 61 2.951 40.990 10.335 1.00 52.41 C ATOM 940 CD GLU A 61 4.378 41.434 10.077 1.00 72.55 C ATOM 941 OE1 GLU A 61 4.567 42.543 9.536 1.00 35.02 O1- ATOM 942 OE2 GLU A 61 5.306 40.670 10.416 1.00 43.41 O ATOM 0 H GLU A 61 1.555 39.743 6.453 1.00 62.44 H new ATOM 0 HA GLU A 61 1.563 39.176 9.218 1.00 50.50 H new ATOM 0 HB2 GLU A 61 2.584 41.823 8.398 1.00 73.34 H new ATOM 0 HB3 GLU A 61 1.218 41.920 9.491 1.00 73.34 H new ATOM 0 HG2 GLU A 61 2.570 41.499 11.221 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.940 39.922 10.552 1.00 52.41 H new ATOM 949 N GLY A 62 -0.879 39.501 9.046 1.00 54.52 N ATOM 950 CA GLY A 62 -2.317 39.613 8.891 1.00 52.00 C ATOM 951 C GLY A 62 -3.022 38.281 9.054 1.00 61.55 C ATOM 952 O GLY A 62 -2.907 37.634 10.095 1.00 51.12 O ATOM 0 H GLY A 62 -0.576 38.853 9.773 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.705 40.318 9.626 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.543 40.022 7.906 1.00 52.00 H new ATOM 956 N GLU A 63 -3.755 37.871 8.025 1.00 53.44 N ATOM 957 CA GLU A 63 -4.484 36.608 8.061 1.00 52.42 C ATOM 958 C GLU A 63 -4.258 35.812 6.778 1.00 71.45 C ATOM 959 O GLU A 63 -4.335 36.384 5.692 1.00 35.41 O ATOM 960 CB GLU A 63 -5.980 36.862 8.258 1.00 13.45 C ATOM 961 CG GLU A 63 -6.835 35.616 8.098 1.00 1.11 C ATOM 962 CD GLU A 63 -7.774 35.703 6.910 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.564 36.667 6.846 1.00 62.20 O1- ATOM 964 OE2 GLU A 63 -7.718 34.805 6.044 1.00 35.44 O ATOM 0 H GLU A 63 -3.860 38.394 7.156 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.107 36.025 8.902 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.141 37.278 9.252 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.310 37.613 7.541 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -6.187 34.747 7.982 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -7.417 35.460 9.006 1.00 1.11 H new ATOM 971 N HIS A 64 -3.985 34.525 6.931 1.00 3.13 N ATOM 972 CA HIS A 64 -3.750 33.668 5.780 1.00 20.42 C ATOM 973 C HIS A 64 -4.399 32.303 6.016 1.00 42.53 C ATOM 974 O HIS A 64 -4.477 31.804 7.139 1.00 73.42 O ATOM 975 CB HIS A 64 -2.255 33.569 5.473 1.00 3.20 C ATOM 976 CG HIS A 64 -1.504 34.867 5.650 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.076 35.637 4.583 1.00 32.22 N ATOM 978 CD2 HIS A 64 -1.112 35.524 6.780 1.00 2.30 C ATOM 979 CE1 HIS A 64 -0.454 36.706 5.060 1.00 4.25 C ATOM 980 NE2 HIS A 64 -0.477 36.632 6.421 1.00 51.03 N ATOM 0 H HIS A 64 -3.921 34.054 7.834 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.215 34.104 4.896 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.811 32.813 6.121 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.127 33.224 4.447 1.00 3.20 H new ATOM 0 HD2 HIS A 64 -1.289 35.197 7.794 1.00 2.30 H new ATOM 0 HE1 HIS A 64 -0.008 37.496 4.474 1.00 4.25 H new ATOM 0 HE2 HIS A 64 -0.072 37.317 7.059 1.00 51.03 H new ATOM 988 N GLN A 65 -4.867 31.707 4.925 1.00 53.30 N ATOM 989 CA GLN A 65 -5.513 30.401 4.984 1.00 30.02 C ATOM 990 C GLN A 65 -4.507 29.284 4.730 1.00 12.33 C ATOM 991 O GLN A 65 -3.463 29.502 4.115 1.00 60.12 O ATOM 992 CB GLN A 65 -6.649 30.324 3.962 1.00 12.55 C ATOM 993 CG GLN A 65 -7.957 30.917 4.461 1.00 10.33 C ATOM 994 CD GLN A 65 -8.551 30.132 5.613 1.00 53.50 C ATOM 995 OE1 GLN A 65 -8.921 30.701 6.641 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.647 28.819 5.449 1.00 52.31 N ATOM 0 H GLN A 65 -4.811 32.108 3.989 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.925 30.272 5.985 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.346 30.846 3.054 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.813 29.281 3.691 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.788 31.946 4.777 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.674 30.949 3.640 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -8.328 28.389 4.581 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.040 28.240 6.191 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.828 28.086 5.206 1.00 44.22 N ATOM 1006 CA TYR A 66 -3.951 26.934 5.032 1.00 44.05 C ATOM 1007 C TYR A 66 -4.688 25.636 5.348 1.00 74.13 C ATOM 1008 O TYR A 66 -5.784 25.650 5.910 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.719 27.065 5.929 1.00 51.25 C ATOM 1010 CG TYR A 66 -2.976 26.690 7.371 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.740 27.506 8.196 1.00 33.23 C ATOM 1012 CD2 TYR A 66 -2.455 25.519 7.908 1.00 60.42 C ATOM 1013 CE1 TYR A 66 -3.977 27.167 9.514 1.00 54.24 C ATOM 1014 CE2 TYR A 66 -2.688 25.172 9.225 1.00 74.14 C ATOM 1015 CZ TYR A 66 -3.450 25.999 10.023 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.684 25.657 11.336 1.00 4.23 O ATOM 0 H TYR A 66 -5.689 27.887 5.715 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.633 26.906 3.990 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -1.924 26.432 5.534 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.358 28.093 5.889 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.156 28.421 7.800 1.00 33.23 H new ATOM 0 HD2 TYR A 66 -1.858 24.869 7.285 1.00 60.42 H new ATOM 0 HE1 TYR A 66 -4.572 27.813 10.142 1.00 54.24 H new ATOM 0 HE2 TYR A 66 -2.276 24.258 9.627 1.00 74.14 H new ATOM 0 HH TYR A 66 -3.243 24.805 11.536 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.078 24.513 4.983 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.672 23.204 5.228 1.00 53.24 C ATOM 1028 C LYS A 67 -3.593 22.144 5.421 1.00 15.33 C ATOM 1029 O LYS A 67 -2.422 22.373 5.116 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.587 22.811 4.066 1.00 51.31 C ATOM 1031 CG LYS A 67 -4.836 22.475 2.788 1.00 50.42 C ATOM 1032 CD LYS A 67 -4.532 20.990 2.696 1.00 54.14 C ATOM 1033 CE LYS A 67 -4.175 20.582 1.275 1.00 21.22 C ATOM 1034 NZ LYS A 67 -2.709 20.665 1.025 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.172 24.483 4.516 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.262 23.266 6.142 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -6.187 21.951 4.362 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -6.279 23.629 3.867 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -5.428 22.780 1.925 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -3.905 23.041 2.752 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -3.707 20.744 3.365 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -5.397 20.419 3.033 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -4.517 19.563 1.093 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -4.701 21.226 0.570 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -2.540 21.080 0.086 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -2.266 21.262 1.752 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -2.296 19.711 1.062 1.00 73.50 H new ATOM 1048 N PHE A 68 -3.994 20.983 5.926 1.00 0.43 N ATOM 1049 CA PHE A 68 -3.060 19.887 6.160 1.00 43.24 C ATOM 1050 C PHE A 68 -3.283 18.761 5.155 1.00 51.11 C ATOM 1051 O PHE A 68 -4.405 18.530 4.701 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.214 19.352 7.584 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.518 20.191 8.618 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.142 20.344 8.594 1.00 14.15 C ATOM 1055 CD2 PHE A 68 -3.242 20.828 9.614 1.00 41.10 C ATOM 1056 CE1 PHE A 68 -0.499 21.116 9.542 1.00 73.42 C ATOM 1057 CE2 PHE A 68 -2.604 21.601 10.565 1.00 25.24 C ATOM 1058 CZ PHE A 68 -1.231 21.744 10.531 1.00 11.45 C ATOM 0 H PHE A 68 -4.960 20.776 6.181 1.00 0.43 H new ATOM 0 HA PHE A 68 -2.048 20.271 6.032 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.275 19.293 7.829 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.820 18.336 7.627 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.564 19.854 7.824 1.00 14.15 H new ATOM 0 HD2 PHE A 68 -4.316 20.719 9.647 1.00 41.10 H new ATOM 0 HE1 PHE A 68 0.575 21.228 9.510 1.00 73.42 H new ATOM 0 HE2 PHE A 68 -3.179 22.093 11.335 1.00 25.24 H new ATOM 0 HZ PHE A 68 -0.731 22.345 11.276 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.207 18.061 4.810 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.283 16.960 3.858 1.00 72.31 C ATOM 1070 C PHE A 69 -1.560 15.727 4.393 1.00 34.23 C ATOM 1071 O PHE A 69 -0.330 15.671 4.405 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.680 17.375 2.514 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.378 16.769 1.331 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.746 16.917 1.166 1.00 61.42 C ATOM 1075 CD2 PHE A 69 -1.666 16.052 0.383 1.00 34.50 C ATOM 1076 CE1 PHE A 69 -4.391 16.362 0.077 1.00 54.41 C ATOM 1077 CE2 PHE A 69 -2.306 15.495 -0.708 1.00 50.31 C ATOM 1078 CZ PHE A 69 -3.670 15.648 -0.860 1.00 73.11 C ATOM 0 H PHE A 69 -1.272 18.237 5.176 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.334 16.710 3.715 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -1.715 18.461 2.429 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.629 17.087 2.492 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.315 17.473 1.897 1.00 61.42 H new ATOM 0 HD2 PHE A 69 -0.599 15.927 0.498 1.00 34.50 H new ATOM 0 HE1 PHE A 69 -5.457 16.486 -0.041 1.00 54.41 H new ATOM 0 HE2 PHE A 69 -1.740 14.940 -1.441 1.00 50.31 H new ATOM 0 HZ PHE A 69 -4.172 15.210 -1.710 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.333 14.740 4.836 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.768 13.508 5.372 1.00 12.31 C ATOM 1090 C VAL A 70 -2.287 12.290 4.615 1.00 74.44 C ATOM 1091 O VAL A 70 -3.494 12.126 4.437 1.00 2.54 O ATOM 1092 CB VAL A 70 -2.093 13.346 6.869 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -1.343 12.158 7.453 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.760 14.622 7.627 1.00 33.01 C ATOM 0 H VAL A 70 -3.353 14.770 4.834 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.687 13.575 5.248 1.00 12.31 H new ATOM 0 HB VAL A 70 -3.161 13.157 6.973 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.585 12.059 8.511 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.636 11.249 6.928 1.00 42.23 H new ATOM 0 HG13 VAL A 70 -0.270 12.313 7.339 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.996 14.490 8.683 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.698 14.844 7.517 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.347 15.448 7.225 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.367 11.439 4.174 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.732 10.234 3.437 1.00 43.14 C ATOM 1106 C ASP A 71 -2.635 10.573 2.255 1.00 50.35 C ATOM 1107 O ASP A 71 -3.530 9.804 1.905 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.432 9.237 4.362 1.00 2.43 C ATOM 1109 CG ASP A 71 -2.249 7.802 3.911 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -1.087 7.380 3.730 1.00 70.50 O ATOM 1111 OD2 ASP A 71 -3.268 7.101 3.740 1.00 33.12 O1- ATOM 0 H ASP A 71 -0.364 11.561 4.314 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.818 9.781 3.054 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -2.042 9.349 5.374 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -3.496 9.469 4.403 1.00 2.43 H new ATOM 1116 N GLY A 72 -2.395 11.729 1.645 1.00 50.22 N ATOM 1117 CA GLY A 72 -3.196 12.150 0.511 1.00 61.42 C ATOM 1118 C GLY A 72 -4.644 12.395 0.883 1.00 44.45 C ATOM 1119 O GLY A 72 -5.538 12.251 0.049 1.00 1.33 O ATOM 0 H GLY A 72 -1.660 12.382 1.916 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.773 13.062 0.090 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -3.148 11.388 -0.267 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.877 12.766 2.137 1.00 51.05 N ATOM 1124 CA GLN A 73 -6.228 13.030 2.618 1.00 43.53 C ATOM 1125 C GLN A 73 -6.298 14.374 3.335 1.00 15.15 C ATOM 1126 O GLN A 73 -5.318 14.823 3.929 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.685 11.913 3.558 1.00 0.22 C ATOM 1128 CG GLN A 73 -7.142 10.657 2.833 1.00 40.22 C ATOM 1129 CD GLN A 73 -8.231 10.934 1.816 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -8.173 10.456 0.683 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -9.232 11.710 2.215 1.00 65.41 N ATOM 0 H GLN A 73 -4.148 12.891 2.839 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.893 13.064 1.755 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.866 11.657 4.230 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.502 12.282 4.178 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -6.289 10.201 2.331 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -7.507 9.933 3.562 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -9.240 12.085 3.164 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -9.993 11.931 1.573 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.461 15.012 3.274 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.658 16.305 3.917 1.00 50.15 C ATOM 1142 C TRP A 74 -8.029 16.133 5.387 1.00 34.22 C ATOM 1143 O TRP A 74 -8.973 15.415 5.718 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.750 17.097 3.194 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.452 17.328 1.743 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.543 16.416 0.732 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -8.014 18.553 1.144 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.187 16.998 -0.460 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.860 18.309 -0.235 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -7.740 19.831 1.636 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -7.443 19.296 -1.124 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -7.325 20.810 0.752 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -7.181 20.538 -0.614 1.00 51.10 C ATOM 0 H TRP A 74 -8.282 14.655 2.786 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.719 16.856 3.860 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.696 16.563 3.283 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.879 18.059 3.689 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -8.850 15.387 0.852 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.169 16.530 -1.366 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -7.850 20.051 2.688 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -7.330 19.089 -2.178 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -7.108 21.801 1.121 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -6.856 21.325 -1.279 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.279 16.793 6.264 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.529 16.713 7.698 1.00 44.01 C ATOM 1166 C VAL A 75 -7.329 18.067 8.367 1.00 31.52 C ATOM 1167 O VAL A 75 -6.566 18.904 7.882 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.609 15.677 8.371 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -6.982 14.269 7.935 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.151 15.975 8.053 1.00 31.10 C ATOM 0 H VAL A 75 -6.493 17.389 6.006 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.566 16.401 7.822 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.743 15.744 9.451 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -6.321 13.551 8.421 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -8.014 14.062 8.218 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -6.878 14.184 6.853 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.514 15.234 8.536 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -4.999 15.936 6.974 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.894 16.969 8.420 1.00 31.10 H new ATOM 1180 N HIS A 76 -8.017 18.277 9.485 1.00 63.01 N ATOM 1181 CA HIS A 76 -7.914 19.531 10.223 1.00 74.30 C ATOM 1182 C HIS A 76 -7.389 19.288 11.635 1.00 62.21 C ATOM 1183 O HIS A 76 -7.466 18.174 12.153 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.275 20.224 10.284 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.227 19.592 11.253 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -11.034 18.523 10.925 1.00 13.43 N ATOM 1187 CD2 HIS A 76 -10.496 19.881 12.547 1.00 41.33 C ATOM 1188 CE1 HIS A 76 -11.760 18.184 11.975 1.00 11.05 C ATOM 1189 NE2 HIS A 76 -11.453 18.993 12.973 1.00 32.15 N ATOM 0 H HIS A 76 -8.652 17.595 9.900 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.210 20.177 9.699 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.129 21.269 10.559 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -9.722 20.216 9.290 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -10.042 20.665 13.136 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -12.482 17.382 12.011 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -11.860 18.963 13.908 1.00 32.15 H new ATOM 1197 N ASP A 77 -6.854 20.337 12.250 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.317 20.238 13.602 1.00 33.21 C ATOM 1199 C ASP A 77 -7.319 20.763 14.625 1.00 70.34 C ATOM 1200 O ASP A 77 -7.808 21.889 14.531 1.00 64.41 O ATOM 1201 CB ASP A 77 -5.004 21.016 13.710 1.00 62.43 C ATOM 1202 CG ASP A 77 -4.159 20.566 14.885 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -3.951 19.343 15.032 1.00 44.05 O1- ATOM 1204 OD2 ASP A 77 -3.705 21.436 15.658 1.00 41.33 O ATOM 0 H ASP A 77 -6.781 21.265 11.834 1.00 1.43 H new ATOM 0 HA ASP A 77 -6.126 19.186 13.814 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -4.435 20.892 12.789 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -5.222 22.079 13.809 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.635 19.928 15.627 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.581 20.286 16.687 1.00 45.12 C ATOM 1211 C PRO A 78 -8.028 21.356 17.621 1.00 52.21 C ATOM 1212 O PRO A 78 -8.781 22.028 18.327 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.784 18.970 17.441 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.540 18.192 17.186 1.00 2.41 C ATOM 1215 CD PRO A 78 -7.091 18.571 15.801 1.00 33.02 C ATOM 0 HA PRO A 78 -9.502 20.709 16.285 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -8.931 19.143 18.507 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.664 18.438 17.080 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.773 18.429 17.923 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.729 17.121 17.256 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -6.005 18.559 15.713 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.479 17.883 15.050 1.00 33.02 H new ATOM 1223 N SER A 79 -6.708 21.511 17.621 1.00 35.34 N ATOM 1224 CA SER A 79 -6.054 22.497 18.473 1.00 5.14 C ATOM 1225 C SER A 79 -6.072 23.876 17.820 1.00 2.34 C ATOM 1226 O SER A 79 -6.060 24.898 18.505 1.00 53.41 O ATOM 1227 CB SER A 79 -4.611 22.076 18.761 1.00 42.01 C ATOM 1228 OG SER A 79 -4.007 22.942 19.707 1.00 3.14 O ATOM 0 H SER A 79 -6.070 20.966 17.040 1.00 35.34 H new ATOM 0 HA SER A 79 -6.604 22.551 19.412 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.595 21.053 19.137 1.00 42.01 H new ATOM 0 HB3 SER A 79 -4.035 22.084 17.836 1.00 42.01 H new ATOM 0 HG SER A 79 -3.086 22.651 19.875 1.00 3.14 H new ATOM 1234 N GLU A 80 -6.103 23.894 16.491 1.00 34.21 N ATOM 1235 CA GLU A 80 -6.123 25.146 15.745 1.00 31.11 C ATOM 1236 C GLU A 80 -7.523 25.442 15.215 1.00 4.43 C ATOM 1237 O GLU A 80 -8.369 24.556 15.098 1.00 53.10 O ATOM 1238 CB GLU A 80 -5.128 25.090 14.584 1.00 21.12 C ATOM 1239 CG GLU A 80 -3.721 25.519 14.967 1.00 61.25 C ATOM 1240 CD GLU A 80 -3.680 26.908 15.575 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -3.548 27.887 14.811 1.00 23.05 O ATOM 1242 OE2 GLU A 80 -3.780 27.016 16.815 1.00 54.30 O1- ATOM 0 H GLU A 80 -6.115 23.056 15.910 1.00 34.21 H new ATOM 0 HA GLU A 80 -5.833 25.948 16.424 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -5.095 24.073 14.194 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.487 25.730 13.778 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -3.308 24.803 15.677 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -3.084 25.495 14.083 1.00 61.25 H new ATOM 1249 N PRO A 81 -7.774 26.718 14.886 1.00 71.34 N ATOM 1250 CA PRO A 81 -9.070 27.161 14.364 1.00 12.23 C ATOM 1251 C PRO A 81 -9.333 26.644 12.954 1.00 54.22 C ATOM 1252 O PRO A 81 -8.454 26.683 12.093 1.00 51.34 O ATOM 1253 CB PRO A 81 -8.947 28.687 14.360 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.485 28.950 14.261 1.00 44.41 C ATOM 1255 CD PRO A 81 -6.811 27.827 15.000 1.00 34.31 C ATOM 0 HA PRO A 81 -9.901 26.788 14.963 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.486 29.125 13.520 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.366 29.120 15.268 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -7.164 28.980 13.220 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -7.231 29.914 14.701 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -5.850 27.572 14.554 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -6.620 28.088 16.041 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.550 26.161 12.723 1.00 52.51 N ATOM 1264 CA VAL A 82 -10.930 25.638 11.417 1.00 44.45 C ATOM 1265 C VAL A 82 -12.022 26.490 10.780 1.00 64.55 C ATOM 1266 O VAL A 82 -12.891 27.022 11.471 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.422 24.182 11.517 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.378 23.311 12.198 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.749 24.118 12.258 1.00 72.14 C ATOM 0 H VAL A 82 -11.290 26.121 13.424 1.00 52.51 H new ATOM 0 HA VAL A 82 -10.038 25.670 10.792 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.577 23.799 10.508 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.743 22.286 12.260 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.454 23.333 11.621 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.188 23.689 13.202 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -13.082 23.082 12.319 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.624 24.519 13.264 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.494 24.707 11.723 1.00 72.14 H new ATOM 1279 N VAL A 83 -11.973 26.614 9.457 1.00 50.41 N ATOM 1280 CA VAL A 83 -12.959 27.399 8.726 1.00 1.01 C ATOM 1281 C VAL A 83 -13.773 26.520 7.783 1.00 10.44 C ATOM 1282 O VAL A 83 -13.505 25.326 7.641 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.290 28.523 7.912 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.392 29.366 8.803 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.504 27.941 6.747 1.00 11.55 C ATOM 0 H VAL A 83 -11.260 26.180 8.870 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.623 27.843 9.468 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.070 29.169 7.508 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -10.928 30.155 8.210 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -11.986 29.813 9.600 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.617 28.736 9.238 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.038 28.749 6.183 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.732 27.272 7.127 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.178 27.385 6.095 1.00 11.55 H new ATOM 1295 N THR A 84 -14.772 27.117 7.140 1.00 44.21 N ATOM 1296 CA THR A 84 -15.627 26.389 6.211 1.00 74.32 C ATOM 1297 C THR A 84 -15.600 27.024 4.826 1.00 53.33 C ATOM 1298 O THR A 84 -16.104 28.130 4.629 1.00 51.12 O ATOM 1299 CB THR A 84 -17.082 26.336 6.711 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.115 26.463 8.137 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.749 25.031 6.299 1.00 25.03 C ATOM 0 H THR A 84 -15.009 28.103 7.246 1.00 44.21 H new ATOM 0 HA THR A 84 -15.235 25.374 6.150 1.00 74.32 H new ATOM 0 HB THR A 84 -17.628 27.164 6.259 1.00 3.04 H new ATOM 0 HG1 THR A 84 -18.044 26.430 8.447 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.776 25.016 6.663 1.00 25.03 H new ATOM 0 HG22 THR A 84 -17.748 24.949 5.212 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.201 24.191 6.726 1.00 25.03 H new ATOM 1309 N SER A 85 -15.009 26.318 3.867 1.00 12.31 N ATOM 1310 CA SER A 85 -14.915 26.815 2.499 1.00 62.15 C ATOM 1311 C SER A 85 -16.302 27.070 1.917 1.00 62.25 C ATOM 1312 O SER A 85 -17.315 26.805 2.563 1.00 25.40 O ATOM 1313 CB SER A 85 -14.157 25.816 1.622 1.00 73.20 C ATOM 1314 OG SER A 85 -12.929 25.442 2.221 1.00 45.01 O ATOM 0 H SER A 85 -14.588 25.400 4.012 1.00 12.31 H new ATOM 0 HA SER A 85 -14.369 27.758 2.518 1.00 62.15 H new ATOM 0 HB2 SER A 85 -14.771 24.930 1.460 1.00 73.20 H new ATOM 0 HB3 SER A 85 -13.969 26.256 0.643 1.00 73.20 H new ATOM 0 HG SER A 85 -12.778 24.483 2.086 1.00 45.01 H new ATOM 1320 N GLN A 86 -16.337 27.587 0.693 1.00 54.44 N ATOM 1321 CA GLN A 86 -17.599 27.878 0.023 1.00 2.41 C ATOM 1322 C GLN A 86 -18.173 26.623 -0.626 1.00 50.10 C ATOM 1323 O GLN A 86 -19.232 26.667 -1.256 1.00 4.23 O ATOM 1324 CB GLN A 86 -17.401 28.968 -1.032 1.00 4.33 C ATOM 1325 CG GLN A 86 -17.276 30.365 -0.447 1.00 61.13 C ATOM 1326 CD GLN A 86 -18.080 31.394 -1.216 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -17.525 32.331 -1.791 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -19.397 31.226 -1.231 1.00 50.44 N ATOM 0 H GLN A 86 -15.507 27.813 0.145 1.00 54.44 H new ATOM 0 HA GLN A 86 -18.306 28.232 0.773 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -16.505 28.744 -1.610 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -18.241 28.947 -1.726 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -17.609 30.351 0.591 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -16.227 30.660 -0.441 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -19.816 30.435 -0.741 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -19.990 31.887 -1.732 1.00 50.44 H new ATOM 1337 N LEU A 87 -17.469 25.508 -0.472 1.00 53.55 N ATOM 1338 CA LEU A 87 -17.909 24.239 -1.043 1.00 32.15 C ATOM 1339 C LEU A 87 -18.346 23.272 0.051 1.00 71.20 C ATOM 1340 O LEU A 87 -18.840 22.180 -0.232 1.00 72.13 O ATOM 1341 CB LEU A 87 -16.786 23.616 -1.874 1.00 52.11 C ATOM 1342 CG LEU A 87 -15.361 23.906 -1.401 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -14.433 22.759 -1.770 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -14.858 25.214 -1.994 1.00 21.21 C ATOM 0 H LEU A 87 -16.590 25.456 0.044 1.00 53.55 H new ATOM 0 HA LEU A 87 -18.764 24.436 -1.689 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -16.929 22.536 -1.890 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -16.885 23.966 -2.902 1.00 52.11 H new ATOM 0 HG LEU A 87 -15.371 24.003 -0.315 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -13.423 22.983 -1.426 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -14.783 21.841 -1.297 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -14.427 22.630 -2.852 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -13.843 25.404 -1.647 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -14.863 25.146 -3.082 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -15.508 26.030 -1.679 1.00 21.21 H new ATOM 1356 N GLY A 88 -18.164 23.680 1.304 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.547 22.837 2.422 1.00 24.33 C ATOM 1358 C GLY A 88 -17.392 22.005 2.942 1.00 1.42 C ATOM 1359 O GLY A 88 -17.594 21.035 3.672 1.00 3.52 O ATOM 0 H GLY A 88 -17.758 24.579 1.564 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -18.933 23.461 3.228 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.357 22.176 2.114 1.00 24.33 H new ATOM 1363 N THR A 89 -16.174 22.385 2.567 1.00 71.55 N ATOM 1364 CA THR A 89 -14.983 21.664 2.998 1.00 55.20 C ATOM 1365 C THR A 89 -14.290 22.387 4.149 1.00 10.24 C ATOM 1366 O THR A 89 -14.058 23.595 4.086 1.00 41.43 O ATOM 1367 CB THR A 89 -13.981 21.490 1.840 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.529 22.771 1.387 1.00 42.53 O ATOM 1369 CG2 THR A 89 -14.617 20.733 0.685 1.00 71.24 C ATOM 0 H THR A 89 -15.987 23.188 1.966 1.00 71.55 H new ATOM 0 HA THR A 89 -15.313 20.681 3.334 1.00 55.20 H new ATOM 0 HB THR A 89 -13.131 20.915 2.207 1.00 22.31 H new ATOM 0 HG1 THR A 89 -12.891 22.652 0.652 1.00 42.53 H new ATOM 0 HG21 THR A 89 -13.891 20.622 -0.121 1.00 71.24 H new ATOM 0 HG22 THR A 89 -14.934 19.747 1.026 1.00 71.24 H new ATOM 0 HG23 THR A 89 -15.483 21.286 0.320 1.00 71.24 H new ATOM 1377 N ILE A 90 -13.964 21.640 5.198 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.296 22.211 6.362 1.00 62.33 C ATOM 1379 C ILE A 90 -11.867 22.625 6.029 1.00 55.32 C ATOM 1380 O ILE A 90 -11.162 21.928 5.300 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.269 21.217 7.539 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.690 20.776 7.895 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.585 21.843 8.745 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.595 21.919 8.296 1.00 10.43 C ATOM 0 H ILE A 90 -14.151 20.640 5.266 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.868 23.092 6.653 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.700 20.337 7.239 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.127 20.260 7.040 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -14.644 20.056 8.712 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -12.574 21.129 9.568 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.561 22.112 8.484 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.129 22.738 9.048 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.586 21.532 8.534 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.181 22.421 9.171 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.671 22.629 7.472 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.445 23.764 6.568 1.00 75.15 N ATOM 1397 CA ASN A 91 -10.099 24.272 6.328 1.00 52.40 C ATOM 1398 C ASN A 91 -9.486 24.815 7.615 1.00 14.34 C ATOM 1399 O ASN A 91 -10.101 24.760 8.680 1.00 44.21 O ATOM 1400 CB ASN A 91 -10.126 25.366 5.260 1.00 44.32 C ATOM 1401 CG ASN A 91 -9.874 24.822 3.867 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -9.804 23.610 3.666 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -9.736 25.719 2.898 1.00 51.12 N ATOM 0 H ASN A 91 -12.016 24.353 7.174 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.483 23.445 5.974 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -11.094 25.867 5.282 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -9.373 26.118 5.495 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -9.564 25.413 1.940 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -9.802 26.714 3.111 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.270 25.341 7.508 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.573 25.895 8.663 1.00 25.44 C ATOM 1412 C ASN A 92 -7.184 27.350 8.417 1.00 42.41 C ATOM 1413 O ASN A 92 -6.742 27.709 7.325 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.325 25.069 8.978 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.582 23.576 8.887 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -5.783 22.831 8.320 1.00 14.31 O ATOM 1417 ND2 ASN A 92 -7.702 23.134 9.446 1.00 64.12 N ATOM 0 H ASN A 92 -7.747 25.395 6.634 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.250 25.857 9.516 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.528 25.341 8.286 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -5.974 25.314 9.980 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -7.929 22.140 9.416 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -8.335 23.788 9.906 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.350 28.182 9.440 1.00 31.22 N ATOM 1425 CA LEU A 93 -7.015 29.599 9.335 1.00 13.40 C ATOM 1426 C LEU A 93 -5.853 29.952 10.257 1.00 33.45 C ATOM 1427 O LEU A 93 -5.854 29.600 11.437 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.234 30.457 9.678 1.00 61.04 C ATOM 1429 CG LEU A 93 -7.982 31.960 9.805 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.341 32.503 8.537 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.280 32.695 10.105 1.00 44.50 C ATOM 0 H LEU A 93 -7.714 27.901 10.350 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.713 29.802 8.307 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -8.992 30.299 8.911 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.653 30.098 10.618 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.294 32.125 10.635 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.169 33.574 8.646 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.390 31.999 8.365 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -8.004 32.326 7.690 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.081 33.763 10.192 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -9.991 32.523 9.297 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.699 32.326 11.041 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.865 30.654 9.712 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.699 31.059 10.488 1.00 23.02 C ATOM 1445 C ILE A 94 -3.456 32.559 10.370 1.00 33.42 C ATOM 1446 O ILE A 94 -3.505 33.125 9.277 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.432 30.308 10.033 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.222 30.766 10.849 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.191 30.527 8.547 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.293 29.638 11.237 1.00 55.11 C ATOM 0 H ILE A 94 -4.849 30.954 8.737 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.908 30.807 11.528 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.578 29.241 10.203 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.664 31.504 10.273 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.571 31.265 11.753 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.293 29.990 8.241 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -3.046 30.156 7.981 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.061 31.592 8.352 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.542 30.036 11.813 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.836 28.911 11.840 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.086 29.153 10.337 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.191 33.200 11.504 1.00 31.02 N ATOM 1463 CA HIS A 95 -2.936 34.636 11.530 1.00 3.12 C ATOM 1464 C HIS A 95 -1.472 34.924 11.849 1.00 23.15 C ATOM 1465 O HIS A 95 -0.842 34.204 12.623 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.838 35.317 12.561 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.299 35.185 12.259 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.287 35.573 13.139 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -5.937 34.705 11.166 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.470 35.337 12.600 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.285 34.810 11.403 1.00 25.13 N ATOM 0 H HIS A 95 -3.147 32.748 12.417 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.159 35.037 10.541 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.639 34.890 13.544 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.581 36.375 12.614 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.129 35.979 14.061 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.472 34.313 10.274 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.426 35.540 13.060 1.00 35.13 H new ATOM 1479 N VAL A 96 -0.936 35.980 11.245 1.00 71.41 N ATOM 1480 CA VAL A 96 0.454 36.362 11.465 1.00 30.12 C ATOM 1481 C VAL A 96 0.547 37.682 12.223 1.00 32.13 C ATOM 1482 O VAL A 96 -0.175 38.634 11.925 1.00 62.43 O ATOM 1483 CB VAL A 96 1.217 36.492 10.134 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.652 36.932 10.381 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.178 35.179 9.367 1.00 60.41 C ATOM 0 H VAL A 96 -1.443 36.586 10.600 1.00 71.41 H new ATOM 0 HA VAL A 96 0.910 35.571 12.061 1.00 30.12 H new ATOM 0 HB VAL A 96 0.728 37.255 9.528 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.175 37.018 9.429 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.655 37.898 10.885 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.156 36.195 11.006 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.722 35.289 8.429 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.641 34.394 9.965 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.143 34.911 9.156 1.00 60.41 H new ATOM 1495 N LYS A 97 1.442 37.733 13.204 1.00 13.43 N ATOM 1496 CA LYS A 97 1.633 38.935 14.005 1.00 32.32 C ATOM 1497 C LYS A 97 2.960 39.608 13.670 1.00 33.23 C ATOM 1498 O LYS A 97 3.954 38.937 13.389 1.00 53.25 O ATOM 1499 CB LYS A 97 1.584 38.594 15.496 1.00 23.44 C ATOM 1500 CG LYS A 97 0.342 37.820 15.902 1.00 24.53 C ATOM 1501 CD LYS A 97 0.174 37.789 17.412 1.00 41.45 C ATOM 1502 CE LYS A 97 -1.095 37.055 17.817 1.00 62.22 C ATOM 1503 NZ LYS A 97 -2.291 37.940 17.753 1.00 53.42 N1+ ATOM 0 H LYS A 97 2.047 36.954 13.463 1.00 13.43 H new ATOM 0 HA LYS A 97 0.825 39.628 13.771 1.00 32.32 H new ATOM 0 HB2 LYS A 97 2.467 38.010 15.756 1.00 23.44 H new ATOM 0 HB3 LYS A 97 1.631 39.517 16.073 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -0.537 38.276 15.446 1.00 24.53 H new ATOM 0 HG3 LYS A 97 0.406 36.801 15.521 1.00 24.53 H new ATOM 0 HD2 LYS A 97 1.037 37.302 17.865 1.00 41.45 H new ATOM 0 HD3 LYS A 97 0.144 38.808 17.797 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -1.243 36.196 17.162 1.00 62.22 H new ATOM 0 HE3 LYS A 97 -0.983 36.668 18.830 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -3.136 37.403 18.036 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -2.161 38.746 18.397 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -2.413 38.289 16.781 1.00 53.42 H new ATOM 1517 N LYS A 98 2.970 40.936 13.701 1.00 54.02 N ATOM 1518 CA LYS A 98 4.176 41.699 13.402 1.00 54.22 C ATOM 1519 C LYS A 98 5.139 41.680 14.586 1.00 33.52 C ATOM 1520 O LYS A 98 5.108 42.568 15.438 1.00 54.13 O ATOM 1521 CB LYS A 98 3.815 43.144 13.048 1.00 72.45 C ATOM 1522 CG LYS A 98 4.903 43.870 12.275 1.00 22.24 C ATOM 1523 CD LYS A 98 4.335 45.027 11.470 1.00 61.03 C ATOM 1524 CE LYS A 98 3.725 46.088 12.372 1.00 12.11 C ATOM 1525 NZ LYS A 98 3.213 47.251 11.594 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.156 41.507 13.930 1.00 54.02 H new ATOM 0 HA LYS A 98 4.668 41.234 12.548 1.00 54.22 H new ATOM 0 HB2 LYS A 98 2.898 43.147 12.458 1.00 72.45 H new ATOM 0 HB3 LYS A 98 3.605 43.693 13.966 1.00 72.45 H new ATOM 0 HG2 LYS A 98 5.657 44.243 12.969 1.00 22.24 H new ATOM 0 HG3 LYS A 98 5.404 43.171 11.606 1.00 22.24 H new ATOM 0 HD2 LYS A 98 5.125 45.473 10.865 1.00 61.03 H new ATOM 0 HD3 LYS A 98 3.577 44.655 10.781 1.00 61.03 H new ATOM 0 HE2 LYS A 98 2.910 45.650 12.948 1.00 12.11 H new ATOM 0 HE3 LYS A 98 4.473 46.430 13.087 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 2.805 47.952 12.245 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 3.995 47.685 11.064 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 2.481 46.929 10.929 1.00 62.45 H new