USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=19 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 89 THR OG1 : rot 180:sc=-0.00257 USER MOD Set 1.2: A 91 ASN : amide:sc= -1 K(o=-1,f=-4.5!) USER MOD Set 2.1: A 38 ASN : amide:sc= -0.151 K(o=-0.15,f=-2!) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0.00414 USER MOD Single : A 20 THR OG1 : rot -100:sc= -0.915 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 -83:sc= -0.485 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0047 X(o=-0.0047,f=-0.25) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -117:sc= 0.63 (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= 0.0549 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc=-0.00831 X(o=-0.0083,f=0) USER MOD Single : A 64 HIS :FLIP no HE2:sc= -0.79 F(o=-2.2,f=-0.79) USER MOD Single : A 65 GLN : amide:sc= -4.07! C(o=-4.1!,f=-10!) USER MOD Single : A 66 TYR OH : rot -35:sc= 1.25 USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0.202 (180deg=0.188) USER MOD Single : A 73 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.35) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.188 F(o=-1,f=-0.19) 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 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0365 K(o=-0.036,f=-1.5) USER MOD Single : A 92 ASN :FLIP amide:sc= -3.14! C(o=-5.1!,f=-3.1!) USER MOD Single : A 95 HIS : no HE2:sc= -1.74 K(o=-1.7,f=-7.6!) USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= -0.0296 (180deg=-0.55) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 243 N ARG A 18 7.606 38.374 9.065 1.00 33.52 N ATOM 244 CA ARG A 18 7.541 37.479 10.215 1.00 13.22 C ATOM 245 C ARG A 18 7.030 36.101 9.804 1.00 32.13 C ATOM 246 O ARG A 18 5.854 35.917 9.487 1.00 45.04 O ATOM 247 CB ARG A 18 6.635 38.070 11.297 1.00 74.21 C ATOM 248 CG ARG A 18 6.944 37.560 12.695 1.00 51.14 C ATOM 249 CD ARG A 18 6.136 36.316 13.027 1.00 72.54 C ATOM 250 NE ARG A 18 6.674 35.605 14.182 1.00 24.34 N ATOM 251 CZ ARG A 18 6.443 35.966 15.440 1.00 34.35 C ATOM 252 NH1 ARG A 18 5.686 37.022 15.701 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 6.968 35.268 16.439 1.00 44.41 N ATOM 0 HA ARG A 18 8.549 37.368 10.615 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.731 39.156 11.286 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.597 37.839 11.056 1.00 74.21 H new ATOM 0 HG2 ARG A 18 8.008 37.336 12.774 1.00 51.14 H new ATOM 0 HG3 ARG A 18 6.727 38.341 13.424 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.102 36.598 13.225 1.00 72.54 H new ATOM 0 HD3 ARG A 18 6.126 35.650 12.164 1.00 72.54 H new ATOM 0 HE ARG A 18 7.259 34.786 14.015 1.00 24.34 H new ATOM 0 HH11 ARG A 18 5.279 37.560 14.936 1.00 13.44 H new ATOM 0 HH12 ARG A 18 5.510 37.297 16.667 1.00 13.44 H new ATOM 0 HH21 ARG A 18 7.550 34.454 16.242 1.00 44.41 H new ATOM 0 HH22 ARG A 18 6.790 35.546 17.404 1.00 44.41 H new ATOM 267 N PRO A 19 7.933 35.109 9.809 1.00 42.30 N ATOM 268 CA PRO A 19 7.597 33.731 9.440 1.00 72.54 C ATOM 269 C PRO A 19 6.703 33.055 10.474 1.00 40.44 C ATOM 270 O PRO A 19 6.664 33.461 11.636 1.00 14.01 O ATOM 271 CB PRO A 19 8.960 33.038 9.376 1.00 10.11 C ATOM 272 CG PRO A 19 9.833 33.836 10.282 1.00 63.22 C ATOM 273 CD PRO A 19 9.351 35.256 10.176 1.00 44.21 C ATOM 0 HA PRO A 19 7.036 33.685 8.507 1.00 72.54 H new ATOM 0 HB2 PRO A 19 8.893 32.001 9.704 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.351 33.026 8.359 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.763 33.476 11.308 1.00 63.22 H new ATOM 0 HG3 PRO A 19 10.879 33.756 9.986 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.469 35.792 11.118 1.00 44.21 H new ATOM 0 HD3 PRO A 19 9.906 35.813 9.421 1.00 44.21 H new ATOM 281 N THR A 20 5.986 32.021 10.045 1.00 65.22 N ATOM 282 CA THR A 20 5.093 31.288 10.933 1.00 1.42 C ATOM 283 C THR A 20 5.333 29.786 10.839 1.00 44.04 C ATOM 284 O THR A 20 5.254 29.201 9.758 1.00 14.52 O ATOM 285 CB THR A 20 3.616 31.582 10.612 1.00 74.14 C ATOM 286 OG1 THR A 20 3.365 32.989 10.704 1.00 14.13 O ATOM 287 CG2 THR A 20 2.695 30.834 11.563 1.00 21.30 C ATOM 0 H THR A 20 6.007 31.672 9.087 1.00 65.22 H new ATOM 0 HA THR A 20 5.311 31.624 11.947 1.00 1.42 H new ATOM 0 HB THR A 20 3.414 31.243 9.596 1.00 74.14 H new ATOM 0 HG1 THR A 20 2.942 33.190 11.565 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.657 31.058 11.316 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.867 29.762 11.468 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.899 31.145 12.587 1.00 21.30 H new ATOM 295 N VAL A 21 5.627 29.165 11.977 1.00 72.24 N ATOM 296 CA VAL A 21 5.876 27.730 12.022 1.00 21.13 C ATOM 297 C VAL A 21 4.677 26.981 12.591 1.00 13.22 C ATOM 298 O VAL A 21 4.230 27.258 13.705 1.00 54.24 O ATOM 299 CB VAL A 21 7.120 27.403 12.870 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.980 27.982 14.270 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.346 25.900 12.926 1.00 62.22 C ATOM 0 H VAL A 21 5.698 29.634 12.880 1.00 72.24 H new ATOM 0 HA VAL A 21 6.049 27.407 10.995 1.00 21.13 H new ATOM 0 HB VAL A 21 7.990 27.861 12.399 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.868 27.741 14.854 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.870 29.065 14.207 1.00 41.02 H new ATOM 0 HG13 VAL A 21 6.101 27.556 14.754 1.00 41.02 H new ATOM 0 HG21 VAL A 21 8.229 25.687 13.529 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.476 25.418 13.373 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.495 25.517 11.917 1.00 62.22 H new ATOM 311 N ILE A 22 4.159 26.030 11.820 1.00 3.43 N ATOM 312 CA ILE A 22 3.012 25.240 12.248 1.00 12.44 C ATOM 313 C ILE A 22 3.418 23.805 12.560 1.00 32.43 C ATOM 314 O ILE A 22 4.224 23.208 11.846 1.00 24.12 O ATOM 315 CB ILE A 22 1.905 25.228 11.177 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.607 26.652 10.704 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.647 24.571 11.723 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.549 26.722 9.625 1.00 60.50 C ATOM 0 H ILE A 22 4.516 25.788 10.896 1.00 3.43 H new ATOM 0 HA ILE A 22 2.626 25.710 13.152 1.00 12.44 H new ATOM 0 HB ILE A 22 2.253 24.647 10.323 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.285 27.249 11.557 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.527 27.102 10.329 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.126 24.570 10.954 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.870 23.545 12.015 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.294 25.127 12.592 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.390 27.762 9.339 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.878 26.152 8.756 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.384 26.303 10.002 1.00 60.50 H new ATOM 330 N ARG A 23 2.854 23.254 13.629 1.00 11.32 N ATOM 331 CA ARG A 23 3.157 21.887 14.036 1.00 71.41 C ATOM 332 C ARG A 23 1.979 20.960 13.749 1.00 72.25 C ATOM 333 O ARG A 23 0.826 21.391 13.738 1.00 15.13 O ATOM 334 CB ARG A 23 3.506 21.840 15.524 1.00 10.01 C ATOM 335 CG ARG A 23 3.872 20.450 16.021 1.00 51.15 C ATOM 336 CD ARG A 23 4.233 20.464 17.497 1.00 13.14 C ATOM 337 NE ARG A 23 3.234 21.165 18.300 1.00 73.24 N ATOM 338 CZ ARG A 23 3.462 21.618 19.527 1.00 1.22 C ATOM 339 NH1 ARG A 23 4.649 21.443 20.092 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 2.502 22.247 20.193 1.00 60.42 N ATOM 0 H ARG A 23 2.184 23.734 14.230 1.00 11.32 H new ATOM 0 HA ARG A 23 4.015 21.545 13.458 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.340 22.516 15.714 1.00 10.01 H new ATOM 0 HB3 ARG A 23 2.658 22.211 16.099 1.00 10.01 H new ATOM 0 HG2 ARG A 23 3.035 19.771 15.856 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.713 20.065 15.443 1.00 51.15 H new ATOM 0 HD2 ARG A 23 4.332 19.439 17.855 1.00 13.14 H new ATOM 0 HD3 ARG A 23 5.204 20.942 17.628 1.00 13.14 H new ATOM 0 HE ARG A 23 2.310 21.315 17.895 1.00 73.24 H new ATOM 0 HH11 ARG A 23 5.389 20.959 19.584 1.00 61.23 H new ATOM 0 HH12 ARG A 23 4.822 21.792 21.035 1.00 61.23 H new ATOM 0 HH21 ARG A 23 1.587 22.383 19.762 1.00 60.42 H new ATOM 0 HH22 ARG A 23 2.679 22.594 21.136 1.00 60.42 H new ATOM 354 N TRP A 24 2.277 19.687 13.516 1.00 3.23 N ATOM 355 CA TRP A 24 1.243 18.700 13.229 1.00 15.23 C ATOM 356 C TRP A 24 1.433 17.449 14.080 1.00 63.45 C ATOM 357 O TRP A 24 2.537 16.910 14.168 1.00 54.01 O ATOM 358 CB TRP A 24 1.260 18.331 11.745 1.00 72.25 C ATOM 359 CG TRP A 24 0.356 17.184 11.407 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.731 15.903 11.120 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.073 17.215 11.321 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.379 15.135 10.860 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.497 15.917 10.978 1.00 15.10 C ATOM 364 CE3 TRP A 24 -2.034 18.213 11.502 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -2.842 15.594 10.811 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.368 17.891 11.337 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.762 16.591 10.995 1.00 33.23 C ATOM 0 H TRP A 24 3.226 19.314 13.520 1.00 3.23 H new ATOM 0 HA TRP A 24 0.277 19.140 13.475 1.00 15.23 H new ATOM 0 HB2 TRP A 24 0.966 19.201 11.158 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.279 18.079 11.452 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.750 15.546 11.100 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.371 14.144 10.619 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.740 19.218 11.766 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.148 14.593 10.546 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.119 18.655 11.474 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.812 16.371 10.874 1.00 33.23 H new ATOM 378 N SER A 25 0.352 16.991 14.701 1.00 32.42 N ATOM 379 CA SER A 25 0.401 15.805 15.547 1.00 61.31 C ATOM 380 C SER A 25 -0.689 14.812 15.155 1.00 1.43 C ATOM 381 O SER A 25 -1.879 15.102 15.276 1.00 0.20 O ATOM 382 CB SER A 25 0.248 16.194 17.019 1.00 74.14 C ATOM 383 OG SER A 25 0.322 15.055 17.858 1.00 11.02 O ATOM 0 H SER A 25 -0.569 17.423 14.634 1.00 32.42 H new ATOM 0 HA SER A 25 1.371 15.328 15.404 1.00 61.31 H new ATOM 0 HB2 SER A 25 1.029 16.903 17.294 1.00 74.14 H new ATOM 0 HB3 SER A 25 -0.707 16.698 17.168 1.00 74.14 H new ATOM 0 HG SER A 25 0.223 15.331 18.793 1.00 11.02 H new ATOM 389 N GLU A 26 -0.273 13.640 14.686 1.00 53.04 N ATOM 390 CA GLU A 26 -1.214 12.605 14.275 1.00 60.10 C ATOM 391 C GLU A 26 -0.531 11.241 14.217 1.00 74.23 C ATOM 392 O GLU A 26 -1.051 10.252 14.731 1.00 22.33 O ATOM 393 CB GLU A 26 -1.817 12.944 12.911 1.00 62.15 C ATOM 394 CG GLU A 26 -3.148 12.261 12.646 1.00 12.22 C ATOM 395 CD GLU A 26 -4.175 12.549 13.724 1.00 34.13 C ATOM 396 OE1 GLU A 26 -4.884 13.572 13.613 1.00 23.12 O1- ATOM 397 OE2 GLU A 26 -4.271 11.751 14.680 1.00 61.43 O ATOM 0 H GLU A 26 0.709 13.384 14.581 1.00 53.04 H new ATOM 0 HA GLU A 26 -2.013 12.562 15.016 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -1.952 14.023 12.841 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -1.111 12.660 12.131 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.536 12.591 11.682 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -2.992 11.184 12.576 1.00 12.22 H new ATOM 404 N GLY A 27 0.638 11.198 13.584 1.00 15.14 N ATOM 405 CA GLY A 27 1.372 9.952 13.468 1.00 4.13 C ATOM 406 C GLY A 27 1.415 9.433 12.045 1.00 73.25 C ATOM 407 O GLY A 27 1.282 8.233 11.810 1.00 40.05 O ATOM 0 H GLY A 27 1.089 12.003 13.150 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.390 10.099 13.828 1.00 4.13 H new ATOM 0 HA3 GLY A 27 0.912 9.202 14.111 1.00 4.13 H new ATOM 411 N GLY A 28 1.599 10.341 11.091 1.00 1.41 N ATOM 412 CA GLY A 28 1.652 9.950 9.695 1.00 61.23 C ATOM 413 C GLY A 28 3.073 9.822 9.182 1.00 31.04 C ATOM 414 O GLY A 28 4.028 10.145 9.890 1.00 11.20 O ATOM 0 H GLY A 28 1.712 11.340 11.261 1.00 1.41 H new ATOM 0 HA2 GLY A 28 1.136 8.998 9.568 1.00 61.23 H new ATOM 0 HA3 GLY A 28 1.117 10.686 9.094 1.00 61.23 H new ATOM 418 N LYS A 29 3.216 9.348 7.949 1.00 2.02 N ATOM 419 CA LYS A 29 4.530 9.177 7.343 1.00 70.24 C ATOM 420 C LYS A 29 4.857 10.343 6.415 1.00 44.33 C ATOM 421 O LYS A 29 6.016 10.731 6.277 1.00 44.34 O ATOM 422 CB LYS A 29 4.588 7.861 6.563 1.00 33.13 C ATOM 423 CG LYS A 29 3.439 7.681 5.587 1.00 54.20 C ATOM 424 CD LYS A 29 2.405 6.701 6.117 1.00 2.42 C ATOM 425 CE LYS A 29 2.782 5.264 5.791 1.00 32.15 C ATOM 426 NZ LYS A 29 2.206 4.821 4.491 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.437 9.075 7.350 1.00 2.02 H new ATOM 0 HA LYS A 29 5.270 9.152 8.143 1.00 70.24 H new ATOM 0 HB2 LYS A 29 5.529 7.814 6.015 1.00 33.13 H new ATOM 0 HB3 LYS A 29 4.588 7.030 7.268 1.00 33.13 H new ATOM 0 HG2 LYS A 29 2.966 8.645 5.399 1.00 54.20 H new ATOM 0 HG3 LYS A 29 3.824 7.324 4.632 1.00 54.20 H new ATOM 0 HD2 LYS A 29 2.311 6.818 7.197 1.00 2.42 H new ATOM 0 HD3 LYS A 29 1.430 6.930 5.686 1.00 2.42 H new ATOM 0 HE2 LYS A 29 3.868 5.172 5.757 1.00 32.15 H new ATOM 0 HE3 LYS A 29 2.431 4.607 6.587 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 2.486 3.837 4.305 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 1.169 4.885 4.531 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 2.561 5.432 3.728 1.00 31.05 H new ATOM 440 N GLU A 30 3.827 10.899 5.784 1.00 70.41 N ATOM 441 CA GLU A 30 4.006 12.021 4.870 1.00 31.12 C ATOM 442 C GLU A 30 2.998 13.128 5.165 1.00 62.13 C ATOM 443 O GLU A 30 1.789 12.931 5.044 1.00 50.04 O ATOM 444 CB GLU A 30 3.860 11.555 3.421 1.00 52.54 C ATOM 445 CG GLU A 30 4.751 10.378 3.066 1.00 64.11 C ATOM 446 CD GLU A 30 6.226 10.728 3.111 1.00 64.32 C ATOM 447 OE1 GLU A 30 6.593 11.815 2.619 1.00 24.13 O1- ATOM 448 OE2 GLU A 30 7.013 9.914 3.639 1.00 41.54 O ATOM 0 H GLU A 30 2.860 10.591 5.889 1.00 70.41 H new ATOM 0 HA GLU A 30 5.010 12.419 5.016 1.00 31.12 H new ATOM 0 HB2 GLU A 30 2.821 11.280 3.240 1.00 52.54 H new ATOM 0 HB3 GLU A 30 4.090 12.387 2.756 1.00 52.54 H new ATOM 0 HG2 GLU A 30 4.555 9.558 3.756 1.00 64.11 H new ATOM 0 HG3 GLU A 30 4.496 10.022 2.068 1.00 64.11 H new ATOM 455 N VAL A 31 3.506 14.294 5.554 1.00 74.14 N ATOM 456 CA VAL A 31 2.651 15.433 5.866 1.00 50.44 C ATOM 457 C VAL A 31 3.040 16.654 5.039 1.00 42.45 C ATOM 458 O VAL A 31 4.222 16.931 4.839 1.00 5.15 O ATOM 459 CB VAL A 31 2.722 15.795 7.361 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.684 16.853 7.704 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.534 14.553 8.219 1.00 3.42 C ATOM 0 H VAL A 31 4.504 14.474 5.660 1.00 74.14 H new ATOM 0 HA VAL A 31 1.630 15.140 5.619 1.00 50.44 H new ATOM 0 HB VAL A 31 3.709 16.207 7.571 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.749 17.096 8.765 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.870 17.750 7.114 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.688 16.472 7.480 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.587 14.827 9.273 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.561 14.109 8.008 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.319 13.832 7.992 1.00 3.42 H new ATOM 471 N PHE A 32 2.036 17.382 4.561 1.00 3.30 N ATOM 472 CA PHE A 32 2.273 18.575 3.755 1.00 33.30 C ATOM 473 C PHE A 32 1.348 19.711 4.181 1.00 0.43 C ATOM 474 O PHE A 32 0.455 19.522 5.008 1.00 64.31 O ATOM 475 CB PHE A 32 2.065 18.262 2.272 1.00 54.22 C ATOM 476 CG PHE A 32 2.777 17.021 1.815 1.00 44.23 C ATOM 477 CD1 PHE A 32 4.080 17.087 1.347 1.00 61.04 C ATOM 478 CD2 PHE A 32 2.144 15.790 1.852 1.00 31.12 C ATOM 479 CE1 PHE A 32 4.739 15.947 0.926 1.00 62.11 C ATOM 480 CE2 PHE A 32 2.799 14.646 1.433 1.00 15.41 C ATOM 481 CZ PHE A 32 4.096 14.725 0.968 1.00 40.11 C ATOM 0 H PHE A 32 1.051 17.167 4.717 1.00 3.30 H new ATOM 0 HA PHE A 32 3.304 18.891 3.912 1.00 33.30 H new ATOM 0 HB2 PHE A 32 0.998 18.151 2.079 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.410 19.109 1.678 1.00 54.22 H new ATOM 0 HD1 PHE A 32 4.586 18.040 1.311 1.00 61.04 H new ATOM 0 HD2 PHE A 32 1.128 15.722 2.212 1.00 31.12 H new ATOM 0 HE1 PHE A 32 5.755 16.012 0.565 1.00 62.11 H new ATOM 0 HE2 PHE A 32 2.296 13.691 1.470 1.00 15.41 H new ATOM 0 HZ PHE A 32 4.607 13.833 0.638 1.00 40.11 H new ATOM 491 N ILE A 33 1.570 20.891 3.611 1.00 13.34 N ATOM 492 CA ILE A 33 0.757 22.058 3.932 1.00 72.44 C ATOM 493 C ILE A 33 0.561 22.943 2.706 1.00 11.41 C ATOM 494 O ILE A 33 1.449 23.058 1.862 1.00 13.30 O ATOM 495 CB ILE A 33 1.392 22.893 5.058 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.445 24.016 5.486 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.728 23.463 4.608 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.871 24.717 6.757 1.00 0.14 C ATOM 0 H ILE A 33 2.305 21.064 2.925 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.211 21.687 4.269 1.00 72.44 H new ATOM 0 HB ILE A 33 1.567 22.244 5.916 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.378 24.749 4.682 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.554 23.604 5.626 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.164 24.051 5.416 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.403 22.647 4.348 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.577 24.100 3.737 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.153 25.500 6.999 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.911 23.997 7.574 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.857 25.160 6.615 1.00 0.14 H new ATOM 510 N SER A 34 -0.608 23.570 2.617 1.00 74.21 N ATOM 511 CA SER A 34 -0.923 24.445 1.493 1.00 21.11 C ATOM 512 C SER A 34 -2.030 25.428 1.864 1.00 75.54 C ATOM 513 O SER A 34 -2.932 25.102 2.634 1.00 75.43 O ATOM 514 CB SER A 34 -1.346 23.618 0.278 1.00 25.35 C ATOM 515 OG SER A 34 -0.224 23.262 -0.512 1.00 52.43 O ATOM 0 H SER A 34 -1.352 23.488 3.309 1.00 74.21 H new ATOM 0 HA SER A 34 -0.026 25.012 1.243 1.00 21.11 H new ATOM 0 HB2 SER A 34 -1.862 22.717 0.609 1.00 25.35 H new ATOM 0 HB3 SER A 34 -2.053 24.187 -0.325 1.00 25.35 H new ATOM 0 HG SER A 34 0.000 24.002 -1.114 1.00 52.43 H new ATOM 521 N GLY A 35 -1.953 26.633 1.308 1.00 54.31 N ATOM 522 CA GLY A 35 -2.953 27.645 1.591 1.00 42.32 C ATOM 523 C GLY A 35 -2.831 28.852 0.681 1.00 45.21 C ATOM 524 O GLY A 35 -2.116 28.813 -0.320 1.00 21.03 O ATOM 0 H GLY A 35 -1.216 26.926 0.667 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.946 27.210 1.481 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.858 27.965 2.629 1.00 42.32 H new ATOM 528 N SER A 36 -3.531 29.927 1.029 1.00 75.24 N ATOM 529 CA SER A 36 -3.502 31.149 0.232 1.00 34.33 C ATOM 530 C SER A 36 -2.094 31.733 0.187 1.00 71.13 C ATOM 531 O SER A 36 -1.775 32.547 -0.680 1.00 4.31 O ATOM 532 CB SER A 36 -4.477 32.179 0.806 1.00 65.34 C ATOM 533 OG SER A 36 -4.383 33.411 0.111 1.00 13.12 O ATOM 0 H SER A 36 -4.125 29.977 1.857 1.00 75.24 H new ATOM 0 HA SER A 36 -3.805 30.900 -0.785 1.00 34.33 H new ATOM 0 HB2 SER A 36 -5.496 31.797 0.740 1.00 65.34 H new ATOM 0 HB3 SER A 36 -4.264 32.337 1.863 1.00 65.34 H new ATOM 0 HG SER A 36 -5.017 34.052 0.495 1.00 13.12 H new ATOM 539 N PHE A 37 -1.255 31.312 1.127 1.00 23.10 N ATOM 540 CA PHE A 37 0.120 31.794 1.195 1.00 11.12 C ATOM 541 C PHE A 37 0.960 31.207 0.064 1.00 50.51 C ATOM 542 O PHE A 37 1.977 31.777 -0.327 1.00 73.12 O ATOM 543 CB PHE A 37 0.742 31.434 2.546 1.00 22.03 C ATOM 544 CG PHE A 37 0.830 29.955 2.791 1.00 62.52 C ATOM 545 CD1 PHE A 37 1.922 29.229 2.343 1.00 4.33 C ATOM 546 CD2 PHE A 37 -0.179 29.289 3.468 1.00 1.14 C ATOM 547 CE1 PHE A 37 2.006 27.867 2.566 1.00 63.12 C ATOM 548 CE2 PHE A 37 -0.102 27.928 3.694 1.00 24.12 C ATOM 549 CZ PHE A 37 0.993 27.216 3.244 1.00 45.15 C ATOM 0 H PHE A 37 -1.502 30.639 1.852 1.00 23.10 H new ATOM 0 HA PHE A 37 0.104 32.878 1.086 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.742 31.864 2.602 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.153 31.891 3.341 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.717 29.733 1.813 1.00 4.33 H new ATOM 0 HD2 PHE A 37 -1.037 29.841 3.824 1.00 1.14 H new ATOM 0 HE1 PHE A 37 2.862 27.313 2.211 1.00 63.12 H new ATOM 0 HE2 PHE A 37 -0.897 27.422 4.222 1.00 24.12 H new ATOM 0 HZ PHE A 37 1.057 26.153 3.422 1.00 45.15 H new ATOM 559 N ASN A 38 0.524 30.064 -0.456 1.00 22.03 N ATOM 560 CA ASN A 38 1.236 29.399 -1.541 1.00 73.21 C ATOM 561 C ASN A 38 0.351 29.281 -2.779 1.00 65.12 C ATOM 562 O ASN A 38 0.664 28.539 -3.709 1.00 33.34 O ATOM 563 CB ASN A 38 1.701 28.011 -1.099 1.00 74.54 C ATOM 564 CG ASN A 38 2.868 27.502 -1.923 1.00 31.23 C ATOM 565 OD1 ASN A 38 3.533 28.270 -2.618 1.00 32.13 O ATOM 566 ND2 ASN A 38 3.122 26.201 -1.848 1.00 70.32 N ATOM 0 H ASN A 38 -0.318 29.580 -0.144 1.00 22.03 H new ATOM 0 HA ASN A 38 2.108 30.003 -1.794 1.00 73.21 H new ATOM 0 HB2 ASN A 38 1.989 28.045 -0.048 1.00 74.54 H new ATOM 0 HB3 ASN A 38 0.870 27.310 -1.179 1.00 74.54 H new ATOM 0 HD21 ASN A 38 3.895 25.801 -2.380 1.00 70.32 H new ATOM 0 HD22 ASN A 38 2.544 25.602 -1.259 1.00 70.32 H new ATOM 573 N ASN A 39 -0.753 30.020 -2.782 1.00 74.22 N ATOM 574 CA ASN A 39 -1.684 29.997 -3.905 1.00 43.44 C ATOM 575 C ASN A 39 -2.259 28.599 -4.108 1.00 54.22 C ATOM 576 O ASN A 39 -2.783 28.282 -5.176 1.00 61.41 O ATOM 577 CB ASN A 39 -0.984 30.463 -5.184 1.00 4.25 C ATOM 578 CG ASN A 39 -1.889 31.297 -6.069 1.00 33.23 C ATOM 579 OD1 ASN A 39 -3.105 31.106 -6.087 1.00 13.05 O ATOM 580 ND2 ASN A 39 -1.299 32.228 -6.810 1.00 32.44 N ATOM 0 H ASN A 39 -1.025 30.642 -2.021 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.504 30.678 -3.678 1.00 43.44 H new ATOM 0 HB2 ASN A 39 -0.102 31.046 -4.920 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.636 29.593 -5.742 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -1.857 32.819 -7.426 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -0.288 32.352 -6.763 1.00 32.44 H new ATOM 587 N TRP A 40 -2.160 27.770 -3.077 1.00 11.01 N ATOM 588 CA TRP A 40 -2.671 26.406 -3.141 1.00 32.51 C ATOM 589 C TRP A 40 -2.147 25.685 -4.378 1.00 23.40 C ATOM 590 O TRP A 40 -2.815 24.811 -4.930 1.00 14.41 O ATOM 591 CB TRP A 40 -4.201 26.412 -3.151 1.00 1.54 C ATOM 592 CG TRP A 40 -4.797 27.307 -2.106 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.936 28.665 -2.173 1.00 31.41 C ATOM 594 CD2 TRP A 40 -5.333 26.909 -0.840 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.526 29.133 -1.024 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.780 28.076 -0.191 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.481 25.680 -0.193 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.363 28.048 1.073 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -6.058 25.653 1.063 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.494 26.831 1.685 1.00 71.30 C ATOM 0 H TRP A 40 -1.730 28.018 -2.186 1.00 11.01 H new ATOM 0 HA TRP A 40 -2.322 25.873 -2.257 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.550 26.730 -4.134 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.563 25.395 -2.998 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.628 29.279 -3.006 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.740 30.110 -0.824 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -5.150 24.767 -0.666 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.700 28.955 1.554 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -6.175 24.708 1.573 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.942 26.777 2.666 1.00 71.30 H new ATOM 611 N SER A 41 -0.944 26.057 -4.808 1.00 74.51 N ATOM 612 CA SER A 41 -0.332 25.447 -5.983 1.00 24.05 C ATOM 613 C SER A 41 0.353 24.133 -5.618 1.00 42.45 C ATOM 614 O SER A 41 -0.124 23.053 -5.966 1.00 72.12 O ATOM 615 CB SER A 41 0.681 26.406 -6.610 1.00 64.43 C ATOM 616 OG SER A 41 1.294 25.827 -7.750 1.00 75.12 O ATOM 0 H SER A 41 -0.376 26.776 -4.361 1.00 74.51 H new ATOM 0 HA SER A 41 -1.120 25.237 -6.706 1.00 24.05 H new ATOM 0 HB2 SER A 41 0.182 27.333 -6.893 1.00 64.43 H new ATOM 0 HB3 SER A 41 1.443 26.666 -5.876 1.00 64.43 H new ATOM 0 HG SER A 41 1.936 26.460 -8.133 1.00 75.12 H new ATOM 622 N THR A 42 1.477 24.234 -4.915 1.00 73.54 N ATOM 623 CA THR A 42 2.229 23.055 -4.504 1.00 45.04 C ATOM 624 C THR A 42 2.051 22.781 -3.015 1.00 34.20 C ATOM 625 O THR A 42 1.664 23.666 -2.252 1.00 34.44 O ATOM 626 CB THR A 42 3.731 23.213 -4.809 1.00 1.10 C ATOM 627 OG1 THR A 42 4.202 24.471 -4.313 1.00 15.30 O ATOM 628 CG2 THR A 42 3.992 23.121 -6.305 1.00 52.41 C ATOM 0 H THR A 42 1.886 25.120 -4.619 1.00 73.54 H new ATOM 0 HA THR A 42 1.836 22.214 -5.075 1.00 45.04 H new ATOM 0 HB THR A 42 4.267 22.404 -4.313 1.00 1.10 H new ATOM 0 HG1 THR A 42 5.158 24.563 -4.509 1.00 15.30 H new ATOM 0 HG21 THR A 42 5.059 23.235 -6.496 1.00 52.41 H new ATOM 0 HG22 THR A 42 3.659 22.151 -6.673 1.00 52.41 H new ATOM 0 HG23 THR A 42 3.445 23.911 -6.819 1.00 52.41 H new ATOM 636 N LYS A 43 2.335 21.548 -2.607 1.00 53.21 N ATOM 637 CA LYS A 43 2.208 21.156 -1.208 1.00 62.12 C ATOM 638 C LYS A 43 3.578 21.054 -0.546 1.00 0.51 C ATOM 639 O LYS A 43 4.324 20.104 -0.784 1.00 42.43 O ATOM 640 CB LYS A 43 1.475 19.818 -1.097 1.00 42.01 C ATOM 641 CG LYS A 43 2.011 18.751 -2.037 1.00 13.53 C ATOM 642 CD LYS A 43 2.033 17.384 -1.373 1.00 24.00 C ATOM 643 CE LYS A 43 1.588 16.291 -2.333 1.00 21.13 C ATOM 644 NZ LYS A 43 1.764 14.934 -1.747 1.00 63.23 N1+ ATOM 0 H LYS A 43 2.655 20.803 -3.226 1.00 53.21 H new ATOM 0 HA LYS A 43 1.631 21.923 -0.692 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.549 19.457 -0.071 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.416 19.975 -1.305 1.00 42.01 H new ATOM 0 HG2 LYS A 43 1.393 18.711 -2.934 1.00 13.53 H new ATOM 0 HG3 LYS A 43 3.019 19.018 -2.356 1.00 13.53 H new ATOM 0 HD2 LYS A 43 3.040 17.168 -1.016 1.00 24.00 H new ATOM 0 HD3 LYS A 43 1.380 17.392 -0.500 1.00 24.00 H new ATOM 0 HE2 LYS A 43 0.540 16.441 -2.594 1.00 21.13 H new ATOM 0 HE3 LYS A 43 2.160 16.364 -3.258 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 2.451 14.398 -2.314 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 2.112 15.020 -0.771 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 0.851 14.435 -1.746 1.00 63.23 H new ATOM 658 N ILE A 44 3.901 22.038 0.288 1.00 50.11 N ATOM 659 CA ILE A 44 5.180 22.057 0.987 1.00 75.21 C ATOM 660 C ILE A 44 5.267 20.923 2.003 1.00 20.24 C ATOM 661 O ILE A 44 4.355 20.696 2.798 1.00 14.21 O ATOM 662 CB ILE A 44 5.406 23.397 1.709 1.00 5.22 C ATOM 663 CG1 ILE A 44 5.867 24.466 0.716 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.426 23.230 2.827 1.00 1.53 C ATOM 665 CD1 ILE A 44 5.312 25.842 1.008 1.00 74.32 C ATOM 0 H ILE A 44 3.295 22.832 0.496 1.00 50.11 H new ATOM 0 HA ILE A 44 5.955 21.926 0.232 1.00 75.21 H new ATOM 0 HB ILE A 44 4.462 23.720 2.149 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.956 24.513 0.725 1.00 22.10 H new ATOM 0 HG13 ILE A 44 5.569 24.169 -0.289 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.576 24.186 3.329 1.00 1.53 H new ATOM 0 HG22 ILE A 44 6.061 22.496 3.546 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.372 22.888 2.408 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.681 26.548 0.264 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.223 25.811 0.970 1.00 74.32 H new ATOM 0 HD13 ILE A 44 5.632 26.160 2.000 1.00 74.32 H new ATOM 677 N PRO A 45 6.393 20.193 1.980 1.00 42.30 N ATOM 678 CA PRO A 45 6.629 19.072 2.895 1.00 74.53 C ATOM 679 C PRO A 45 6.840 19.531 4.333 1.00 40.33 C ATOM 680 O PRO A 45 7.642 20.428 4.597 1.00 40.12 O ATOM 681 CB PRO A 45 7.904 18.428 2.345 1.00 11.42 C ATOM 682 CG PRO A 45 8.604 19.529 1.625 1.00 55.22 C ATOM 683 CD PRO A 45 7.522 20.406 1.059 1.00 3.34 C ATOM 0 HA PRO A 45 5.777 18.394 2.937 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.521 18.024 3.147 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.672 17.601 1.674 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.248 20.091 2.302 1.00 55.22 H new ATOM 0 HG3 PRO A 45 9.241 19.135 0.833 1.00 55.22 H new ATOM 0 HD2 PRO A 45 7.826 21.452 1.032 1.00 3.34 H new ATOM 0 HD3 PRO A 45 7.267 20.121 0.038 1.00 3.34 H new ATOM 691 N LEU A 46 6.117 18.912 5.259 1.00 54.51 N ATOM 692 CA LEU A 46 6.225 19.258 6.672 1.00 11.22 C ATOM 693 C LEU A 46 7.442 18.590 7.304 1.00 63.13 C ATOM 694 O LEU A 46 7.462 17.376 7.506 1.00 34.03 O ATOM 695 CB LEU A 46 4.956 18.842 7.418 1.00 1.32 C ATOM 696 CG LEU A 46 4.168 19.971 8.085 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.438 20.800 7.039 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.187 19.407 9.102 1.00 1.43 C ATOM 0 H LEU A 46 5.449 18.168 5.057 1.00 54.51 H new ATOM 0 HA LEU A 46 6.346 20.339 6.748 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.297 18.332 6.716 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.230 18.116 8.183 1.00 1.32 H new ATOM 0 HG LEU A 46 4.870 20.620 8.609 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.882 21.599 7.531 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.161 21.233 6.348 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.746 20.163 6.488 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.635 20.224 9.567 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.489 18.736 8.601 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.733 18.856 9.868 1.00 1.43 H new ATOM 710 N ILE A 47 8.456 19.391 7.614 1.00 41.44 N ATOM 711 CA ILE A 47 9.675 18.879 8.225 1.00 1.41 C ATOM 712 C ILE A 47 9.360 18.031 9.453 1.00 65.02 C ATOM 713 O ILE A 47 8.850 18.533 10.455 1.00 61.11 O ATOM 714 CB ILE A 47 10.624 20.021 8.634 1.00 11.35 C ATOM 715 CG1 ILE A 47 10.922 20.921 7.434 1.00 2.10 C ATOM 716 CG2 ILE A 47 11.913 19.458 9.214 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.524 20.181 6.259 1.00 52.21 C ATOM 0 H ILE A 47 8.457 20.398 7.452 1.00 41.44 H new ATOM 0 HA ILE A 47 10.167 18.260 7.475 1.00 1.41 H new ATOM 0 HB ILE A 47 10.135 20.621 9.402 1.00 11.35 H new ATOM 0 HG12 ILE A 47 9.999 21.404 7.114 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.605 21.712 7.744 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.573 20.278 9.498 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.684 18.855 10.093 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.407 18.837 8.467 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.709 20.881 5.444 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.464 19.720 6.562 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.833 19.408 5.923 1.00 52.21 H new ATOM 729 N LYS A 48 9.669 16.741 9.369 1.00 55.44 N ATOM 730 CA LYS A 48 9.422 15.821 10.473 1.00 2.01 C ATOM 731 C LYS A 48 10.481 15.978 11.559 1.00 4.04 C ATOM 732 O LYS A 48 11.677 15.840 11.298 1.00 74.51 O ATOM 733 CB LYS A 48 9.404 14.378 9.967 1.00 32.12 C ATOM 734 CG LYS A 48 8.867 13.384 10.982 1.00 21.33 C ATOM 735 CD LYS A 48 8.725 11.995 10.383 1.00 65.24 C ATOM 736 CE LYS A 48 10.073 11.434 9.953 1.00 55.25 C ATOM 737 NZ LYS A 48 10.394 10.162 10.656 1.00 34.55 N1+ ATOM 0 H LYS A 48 10.091 16.309 8.547 1.00 55.44 H new ATOM 0 HA LYS A 48 8.449 16.060 10.902 1.00 2.01 H new ATOM 0 HB2 LYS A 48 8.796 14.326 9.064 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.417 14.087 9.687 1.00 32.12 H new ATOM 0 HG2 LYS A 48 9.536 13.344 11.842 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.898 13.724 11.348 1.00 21.33 H new ATOM 0 HD2 LYS A 48 8.268 11.327 11.113 1.00 65.24 H new ATOM 0 HD3 LYS A 48 8.055 12.034 9.524 1.00 65.24 H new ATOM 0 HE2 LYS A 48 10.068 11.263 8.877 1.00 55.25 H new ATOM 0 HE3 LYS A 48 10.853 12.168 10.156 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 11.320 9.812 10.336 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 10.424 10.330 11.682 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 9.663 9.453 10.442 1.00 34.55 H new ATOM 751 N SER A 49 10.037 16.266 12.777 1.00 14.13 N ATOM 752 CA SER A 49 10.947 16.444 13.902 1.00 33.35 C ATOM 753 C SER A 49 11.034 15.169 14.737 1.00 3.20 C ATOM 754 O SER A 49 10.436 14.148 14.397 1.00 64.42 O ATOM 755 CB SER A 49 10.488 17.611 14.779 1.00 31.23 C ATOM 756 OG SER A 49 11.567 18.137 15.533 1.00 51.25 O ATOM 0 H SER A 49 9.051 16.381 13.011 1.00 14.13 H new ATOM 0 HA SER A 49 11.937 16.666 13.504 1.00 33.35 H new ATOM 0 HB2 SER A 49 10.061 18.395 14.153 1.00 31.23 H new ATOM 0 HB3 SER A 49 9.699 17.276 15.452 1.00 31.23 H new ATOM 0 HG SER A 49 11.249 18.882 16.084 1.00 51.25 H new ATOM 762 N HIS A 50 11.783 15.237 15.833 1.00 0.54 N ATOM 763 CA HIS A 50 11.949 14.090 16.719 1.00 22.21 C ATOM 764 C HIS A 50 10.683 13.847 17.536 1.00 65.22 C ATOM 765 O HIS A 50 10.432 12.732 17.991 1.00 14.41 O ATOM 766 CB HIS A 50 13.139 14.308 17.653 1.00 63.12 C ATOM 767 CG HIS A 50 14.402 14.680 16.938 1.00 21.12 C ATOM 768 ND1 HIS A 50 15.117 13.792 16.162 1.00 33.13 N ATOM 769 CD2 HIS A 50 15.076 15.852 16.882 1.00 30.03 C ATOM 770 CE1 HIS A 50 16.177 14.402 15.663 1.00 63.42 C ATOM 771 NE2 HIS A 50 16.174 15.653 16.084 1.00 44.14 N ATOM 0 H HIS A 50 12.285 16.074 16.129 1.00 0.54 H new ATOM 0 HA HIS A 50 12.137 13.211 16.103 1.00 22.21 H new ATOM 0 HB2 HIS A 50 12.891 15.093 18.367 1.00 63.12 H new ATOM 0 HB3 HIS A 50 13.311 13.398 18.227 1.00 63.12 H new ATOM 0 HD2 HIS A 50 14.801 16.773 17.374 1.00 30.03 H new ATOM 0 HE1 HIS A 50 16.920 13.953 15.020 1.00 63.42 H new ATOM 0 HE2 HIS A 50 16.875 16.358 15.853 1.00 44.14 H new ATOM 779 N ASN A 51 9.891 14.899 17.718 1.00 43.20 N ATOM 780 CA ASN A 51 8.653 14.799 18.482 1.00 41.32 C ATOM 781 C ASN A 51 7.448 14.691 17.552 1.00 42.34 C ATOM 782 O ASN A 51 6.647 13.764 17.663 1.00 61.52 O ATOM 783 CB ASN A 51 8.496 16.015 19.399 1.00 24.42 C ATOM 784 CG ASN A 51 9.816 16.458 20.001 1.00 75.52 C ATOM 785 OD1 ASN A 51 10.229 15.965 21.051 1.00 63.21 O ATOM 786 ND2 ASN A 51 10.484 17.394 19.337 1.00 63.41 N ATOM 0 H ASN A 51 10.084 15.829 17.347 1.00 43.20 H new ATOM 0 HA ASN A 51 8.702 13.896 19.091 1.00 41.32 H new ATOM 0 HB2 ASN A 51 8.062 16.840 18.833 1.00 24.42 H new ATOM 0 HB3 ASN A 51 7.797 15.775 20.200 1.00 24.42 H new ATOM 0 HD21 ASN A 51 11.378 17.733 19.694 1.00 63.41 H new ATOM 0 HD22 ASN A 51 10.104 17.774 18.470 1.00 63.41 H new ATOM 793 N ASP A 52 7.326 15.647 16.636 1.00 25.42 N ATOM 794 CA ASP A 52 6.221 15.659 15.686 1.00 63.14 C ATOM 795 C ASP A 52 6.610 16.398 14.409 1.00 70.31 C ATOM 796 O ASP A 52 7.765 16.787 14.232 1.00 74.35 O ATOM 797 CB ASP A 52 4.989 16.312 16.313 1.00 51.42 C ATOM 798 CG ASP A 52 4.627 15.700 17.652 1.00 61.33 C ATOM 799 OD1 ASP A 52 4.072 14.581 17.663 1.00 34.01 O ATOM 800 OD2 ASP A 52 4.900 16.340 18.690 1.00 71.33 O1- ATOM 0 H ASP A 52 7.980 16.423 16.532 1.00 25.42 H new ATOM 0 HA ASP A 52 5.984 14.627 15.429 1.00 63.14 H new ATOM 0 HB2 ASP A 52 5.173 17.379 16.442 1.00 51.42 H new ATOM 0 HB3 ASP A 52 4.144 16.215 15.632 1.00 51.42 H new ATOM 805 N PHE A 53 5.639 16.587 13.522 1.00 51.12 N ATOM 806 CA PHE A 53 5.879 17.277 12.260 1.00 12.33 C ATOM 807 C PHE A 53 5.781 18.789 12.440 1.00 22.10 C ATOM 808 O PHE A 53 4.987 19.280 13.243 1.00 32.20 O ATOM 809 CB PHE A 53 4.878 16.812 11.201 1.00 64.40 C ATOM 810 CG PHE A 53 5.113 15.405 10.732 1.00 61.34 C ATOM 811 CD1 PHE A 53 5.992 15.144 9.692 1.00 54.52 C ATOM 812 CD2 PHE A 53 4.454 14.342 11.329 1.00 54.43 C ATOM 813 CE1 PHE A 53 6.210 13.850 9.258 1.00 21.11 C ATOM 814 CE2 PHE A 53 4.669 13.046 10.898 1.00 14.33 C ATOM 815 CZ PHE A 53 5.547 12.800 9.862 1.00 53.35 C ATOM 0 H PHE A 53 4.678 16.272 13.654 1.00 51.12 H new ATOM 0 HA PHE A 53 6.888 17.033 11.927 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.870 16.887 11.608 1.00 64.40 H new ATOM 0 HB3 PHE A 53 4.928 17.485 10.345 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.513 15.961 9.215 1.00 54.52 H new ATOM 0 HD2 PHE A 53 3.765 14.528 12.140 1.00 54.43 H new ATOM 0 HE1 PHE A 53 6.898 13.660 8.447 1.00 21.11 H new ATOM 0 HE2 PHE A 53 4.150 12.226 11.372 1.00 14.33 H new ATOM 0 HZ PHE A 53 5.715 11.788 9.524 1.00 53.35 H new ATOM 825 N VAL A 54 6.594 19.523 11.687 1.00 33.42 N ATOM 826 CA VAL A 54 6.599 20.978 11.762 1.00 40.41 C ATOM 827 C VAL A 54 7.013 21.596 10.430 1.00 3.45 C ATOM 828 O VAL A 54 7.873 21.065 9.729 1.00 74.24 O ATOM 829 CB VAL A 54 7.550 21.481 12.865 1.00 62.34 C ATOM 830 CG1 VAL A 54 7.035 21.076 14.238 1.00 24.21 C ATOM 831 CG2 VAL A 54 8.957 20.951 12.636 1.00 4.44 C ATOM 0 H VAL A 54 7.258 19.133 11.018 1.00 33.42 H new ATOM 0 HA VAL A 54 5.581 21.285 12.002 1.00 40.41 H new ATOM 0 HB VAL A 54 7.585 22.570 12.823 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.719 21.440 15.005 1.00 24.21 H new ATOM 0 HG12 VAL A 54 6.047 21.508 14.398 1.00 24.21 H new ATOM 0 HG13 VAL A 54 6.969 19.990 14.296 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.616 21.316 13.424 1.00 4.44 H new ATOM 0 HG22 VAL A 54 8.942 19.861 12.651 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.323 21.296 11.669 1.00 4.44 H new ATOM 841 N ALA A 55 6.395 22.722 10.089 1.00 33.42 N ATOM 842 CA ALA A 55 6.700 23.414 8.843 1.00 64.34 C ATOM 843 C ALA A 55 6.799 24.919 9.061 1.00 43.12 C ATOM 844 O ALA A 55 5.882 25.540 9.599 1.00 20.33 O ATOM 845 CB ALA A 55 5.646 23.099 7.792 1.00 75.11 C ATOM 0 H ALA A 55 5.680 23.174 10.658 1.00 33.42 H new ATOM 0 HA ALA A 55 7.668 23.060 8.488 1.00 64.34 H new ATOM 0 HB1 ALA A 55 5.887 23.623 6.867 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.627 22.025 7.607 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.668 23.423 8.149 1.00 75.11 H new ATOM 851 N ILE A 56 7.917 25.501 8.640 1.00 4.32 N ATOM 852 CA ILE A 56 8.135 26.935 8.790 1.00 62.15 C ATOM 853 C ILE A 56 7.777 27.682 7.509 1.00 1.24 C ATOM 854 O ILE A 56 8.524 27.653 6.531 1.00 41.11 O ATOM 855 CB ILE A 56 9.597 27.247 9.160 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.979 26.536 10.460 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.801 28.749 9.291 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.636 25.192 10.244 1.00 22.53 C ATOM 0 H ILE A 56 8.686 25.002 8.192 1.00 4.32 H new ATOM 0 HA ILE A 56 7.485 27.270 9.598 1.00 62.15 H new ATOM 0 HB ILE A 56 10.245 26.881 8.364 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.655 27.175 11.028 1.00 12.24 H new ATOM 0 HG13 ILE A 56 9.084 26.400 11.067 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.839 28.954 9.553 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.564 29.232 8.343 1.00 20.32 H new ATOM 0 HG23 ILE A 56 9.147 29.138 10.071 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.879 24.747 11.209 1.00 22.53 H new ATOM 0 HD12 ILE A 56 9.954 24.536 9.703 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.550 25.323 9.664 1.00 22.53 H new ATOM 870 N LEU A 57 6.630 28.351 7.524 1.00 53.34 N ATOM 871 CA LEU A 57 6.172 29.109 6.364 1.00 41.32 C ATOM 872 C LEU A 57 6.716 30.533 6.394 1.00 4.44 C ATOM 873 O LEU A 57 7.317 30.958 7.382 1.00 25.01 O ATOM 874 CB LEU A 57 4.643 29.136 6.319 1.00 22.14 C ATOM 875 CG LEU A 57 3.956 27.795 6.062 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.444 27.946 6.144 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.366 27.236 4.707 1.00 54.43 C ATOM 0 H LEU A 57 6.000 28.384 8.326 1.00 53.34 H new ATOM 0 HA LEU A 57 6.547 28.615 5.468 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.278 29.533 7.267 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.335 29.835 5.541 1.00 22.14 H new ATOM 0 HG LEU A 57 4.273 27.092 6.833 1.00 14.52 H new ATOM 0 HD11 LEU A 57 1.971 26.981 5.958 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.167 28.301 7.137 1.00 62.22 H new ATOM 0 HD13 LEU A 57 2.109 28.664 5.396 1.00 62.22 H new ATOM 0 HD21 LEU A 57 3.867 26.281 4.541 1.00 54.43 H new ATOM 0 HD22 LEU A 57 4.079 27.936 3.923 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.446 27.090 4.685 1.00 54.43 H new ATOM 889 N ASP A 58 6.500 31.268 5.308 1.00 22.22 N ATOM 890 CA ASP A 58 6.966 32.646 5.212 1.00 23.10 C ATOM 891 C ASP A 58 5.819 33.583 4.847 1.00 53.11 C ATOM 892 O ASP A 58 5.463 33.719 3.675 1.00 71.11 O ATOM 893 CB ASP A 58 8.083 32.758 4.173 1.00 60.34 C ATOM 894 CG ASP A 58 7.672 32.209 2.820 1.00 4.33 C ATOM 895 OD1 ASP A 58 7.584 30.971 2.685 1.00 64.40 O1- ATOM 896 OD2 ASP A 58 7.439 33.018 1.897 1.00 31.41 O ATOM 0 H ASP A 58 6.005 30.932 4.482 1.00 22.22 H new ATOM 0 HA ASP A 58 7.356 32.941 6.186 1.00 23.10 H new ATOM 0 HB2 ASP A 58 8.372 33.804 4.065 1.00 60.34 H new ATOM 0 HB3 ASP A 58 8.962 32.220 4.529 1.00 60.34 H new ATOM 901 N LEU A 59 5.243 34.226 5.856 1.00 12.41 N ATOM 902 CA LEU A 59 4.135 35.150 5.642 1.00 61.11 C ATOM 903 C LEU A 59 4.475 36.540 6.170 1.00 53.10 C ATOM 904 O LEU A 59 5.300 36.705 7.069 1.00 43.12 O ATOM 905 CB LEU A 59 2.870 34.628 6.327 1.00 61.24 C ATOM 906 CG LEU A 59 2.717 33.107 6.383 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.500 32.725 7.210 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.614 32.529 4.979 1.00 1.12 C ATOM 0 H LEU A 59 5.525 34.125 6.831 1.00 12.41 H new ATOM 0 HA LEU A 59 3.957 35.222 4.569 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.847 35.013 7.346 1.00 61.24 H new ATOM 0 HB3 LEU A 59 2.004 35.042 5.810 1.00 61.24 H new ATOM 0 HG LEU A 59 3.602 32.688 6.861 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.406 31.639 7.239 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.615 33.107 8.224 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.605 33.154 6.760 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.506 31.446 5.038 1.00 1.12 H new ATOM 0 HD22 LEU A 59 1.746 32.953 4.474 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.516 32.773 4.418 1.00 1.12 H new ATOM 920 N PRO A 60 3.824 37.566 5.601 1.00 72.34 N ATOM 921 CA PRO A 60 4.039 38.959 6.001 1.00 43.15 C ATOM 922 C PRO A 60 3.490 39.255 7.392 1.00 50.24 C ATOM 923 O PRO A 60 4.211 39.169 8.385 1.00 44.12 O ATOM 924 CB PRO A 60 3.270 39.754 4.941 1.00 2.43 C ATOM 925 CG PRO A 60 2.221 38.816 4.453 1.00 40.55 C ATOM 926 CD PRO A 60 2.827 37.442 4.524 1.00 50.31 C ATOM 0 HA PRO A 60 5.099 39.209 6.056 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.829 40.656 5.365 1.00 2.43 H new ATOM 0 HB3 PRO A 60 3.926 40.071 4.130 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.324 38.879 5.069 1.00 40.55 H new ATOM 0 HG3 PRO A 60 1.924 39.059 3.433 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.079 36.684 4.754 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.289 37.157 3.579 1.00 50.31 H new ATOM 934 N GLU A 61 2.208 39.603 7.456 1.00 62.44 N ATOM 935 CA GLU A 61 1.563 39.911 8.726 1.00 50.50 C ATOM 936 C GLU A 61 0.078 40.199 8.527 1.00 12.05 C ATOM 937 O GLU A 61 -0.295 41.137 7.824 1.00 32.42 O ATOM 938 CB GLU A 61 2.242 41.112 9.390 1.00 73.34 C ATOM 939 CG GLU A 61 1.563 41.562 10.672 1.00 52.41 C ATOM 940 CD GLU A 61 0.401 42.503 10.418 1.00 72.55 C ATOM 941 OE1 GLU A 61 0.653 43.697 10.154 1.00 43.41 O ATOM 942 OE2 GLU A 61 -0.758 42.046 10.482 1.00 35.02 O1- ATOM 0 H GLU A 61 1.597 39.678 6.643 1.00 62.44 H new ATOM 0 HA GLU A 61 1.663 39.041 9.375 1.00 50.50 H new ATOM 0 HB2 GLU A 61 3.279 40.858 9.608 1.00 73.34 H new ATOM 0 HB3 GLU A 61 2.259 41.944 8.686 1.00 73.34 H new ATOM 0 HG2 GLU A 61 1.205 40.687 11.215 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.294 42.057 11.311 1.00 52.41 H new ATOM 949 N GLY A 62 -0.766 39.383 9.152 1.00 54.52 N ATOM 950 CA GLY A 62 -2.201 39.565 9.031 1.00 52.00 C ATOM 951 C GLY A 62 -2.965 38.264 9.173 1.00 61.55 C ATOM 952 O GLY A 62 -2.893 37.605 10.210 1.00 51.12 O ATOM 0 H GLY A 62 -0.482 38.599 9.740 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.540 40.267 9.793 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.427 40.011 8.063 1.00 52.00 H new ATOM 956 N GLU A 63 -3.698 37.893 8.128 1.00 53.44 N ATOM 957 CA GLU A 63 -4.480 36.662 8.143 1.00 52.42 C ATOM 958 C GLU A 63 -4.258 35.862 6.864 1.00 71.45 C ATOM 959 O GLU A 63 -4.282 36.440 5.778 1.00 35.41 O ATOM 960 CB GLU A 63 -5.968 36.979 8.306 1.00 13.45 C ATOM 961 CG GLU A 63 -6.882 35.826 7.927 1.00 1.11 C ATOM 962 CD GLU A 63 -8.169 35.813 8.728 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.140 36.239 9.902 1.00 35.44 O ATOM 964 OE2 GLU A 63 -9.204 35.379 8.182 1.00 62.20 O1- ATOM 0 H GLU A 63 -3.767 38.426 7.261 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.148 36.061 8.990 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.160 37.258 9.342 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.216 37.845 7.692 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -7.120 35.890 6.865 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.355 34.884 8.079 1.00 1.11 H new ATOM 971 N HIS A 64 -4.048 34.562 7.016 1.00 3.13 N ATOM 972 CA HIS A 64 -3.823 33.700 5.869 1.00 20.42 C ATOM 973 C HIS A 64 -4.481 32.340 6.112 1.00 42.53 C ATOM 974 O HIS A 64 -4.641 31.888 7.245 1.00 73.42 O ATOM 975 CB HIS A 64 -2.329 33.588 5.557 1.00 3.20 C ATOM 976 CG HIS A 64 -1.571 34.885 5.712 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.171 35.555 6.831 1.00 32.22 N flip ATOM 978 CD2 HIS A 64 -1.142 35.637 4.632 1.00 2.30 C flip ATOM 979 CE1 HIS A 64 -0.531 36.655 6.454 1.00 4.25 C flip ATOM 980 NE2 HIS A 64 -0.513 36.708 5.091 1.00 51.03 N flip ATOM 0 H HIS A 64 -4.029 34.085 7.917 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.287 34.137 4.985 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.886 32.839 6.214 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.207 33.228 4.535 1.00 3.20 H new ATOM 0 HD1 HIS A 64 -1.336 35.261 7.794 1.00 32.22 H new ATOM 0 HD2 HIS A 64 -1.294 35.392 3.591 1.00 2.30 H new ATOM 0 HE1 HIS A 64 -0.096 37.388 7.117 1.00 4.25 H new ATOM 988 N GLN A 65 -4.861 31.695 5.013 1.00 53.30 N ATOM 989 CA GLN A 65 -5.504 30.389 5.079 1.00 30.02 C ATOM 990 C GLN A 65 -4.494 29.272 4.833 1.00 12.33 C ATOM 991 O GLN A 65 -3.448 29.492 4.224 1.00 60.12 O ATOM 992 CB GLN A 65 -6.636 30.302 4.054 1.00 12.55 C ATOM 993 CG GLN A 65 -7.908 31.011 4.491 1.00 10.33 C ATOM 994 CD GLN A 65 -8.576 30.336 5.673 1.00 53.50 C ATOM 995 OE1 GLN A 65 -8.923 30.985 6.659 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.761 29.024 5.578 1.00 52.31 N ATOM 0 H GLN A 65 -4.734 32.056 4.067 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.918 30.266 6.080 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.296 30.732 3.112 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.862 29.253 3.863 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.673 32.043 4.752 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.606 31.045 3.655 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -8.458 28.525 4.741 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.207 28.515 6.342 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.815 28.076 5.313 1.00 44.22 N ATOM 1006 CA TYR A 66 -3.934 26.925 5.149 1.00 44.05 C ATOM 1007 C TYR A 66 -4.669 25.627 5.465 1.00 74.13 C ATOM 1008 O TYR A 66 -5.755 25.639 6.045 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.707 27.062 6.051 1.00 51.25 C ATOM 1010 CG TYR A 66 -2.977 26.714 7.497 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.774 27.529 8.292 1.00 60.42 C ATOM 1012 CD2 TYR A 66 -2.435 25.569 8.068 1.00 33.23 C ATOM 1013 CE1 TYR A 66 -4.022 27.214 9.614 1.00 74.14 C ATOM 1014 CE2 TYR A 66 -2.679 25.245 9.389 1.00 54.24 C ATOM 1015 CZ TYR A 66 -3.474 26.071 10.158 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.720 25.753 11.474 1.00 4.23 O ATOM 0 H TYR A 66 -5.678 27.878 5.819 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.610 26.894 4.109 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -1.914 26.417 5.673 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.338 28.086 5.995 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.207 28.424 7.869 1.00 60.42 H new ATOM 0 HD2 TYR A 66 -1.812 24.921 7.469 1.00 33.23 H new ATOM 0 HE1 TYR A 66 -4.642 27.859 10.219 1.00 74.14 H new ATOM 0 HE2 TYR A 66 -2.250 24.351 9.817 1.00 54.24 H new ATOM 0 HH TYR A 66 -3.771 26.575 12.005 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.069 24.506 5.080 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.663 23.196 5.323 1.00 53.24 C ATOM 1028 C LYS A 67 -3.583 22.133 5.496 1.00 15.33 C ATOM 1029 O LYS A 67 -2.423 22.350 5.147 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.592 22.813 4.169 1.00 51.31 C ATOM 1031 CG LYS A 67 -6.537 21.671 4.503 1.00 50.42 C ATOM 1032 CD LYS A 67 -7.930 21.921 3.949 1.00 54.14 C ATOM 1033 CE LYS A 67 -8.822 20.700 4.111 1.00 21.22 C ATOM 1034 NZ LYS A 67 -8.809 20.187 5.509 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.171 24.478 4.598 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.243 23.252 6.244 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -6.178 23.686 3.880 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -4.989 22.534 3.305 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -6.143 20.740 4.094 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -6.591 21.547 5.585 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -8.379 22.772 4.462 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -7.861 22.185 2.894 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -9.843 20.955 3.827 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -8.490 19.914 3.432 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -9.360 19.307 5.561 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -7.829 19.999 5.801 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -9.229 20.896 6.143 1.00 73.50 H new ATOM 1048 N PHE A 68 -3.974 20.982 6.035 1.00 0.43 N ATOM 1049 CA PHE A 68 -3.039 19.884 6.254 1.00 43.24 C ATOM 1050 C PHE A 68 -3.278 18.760 5.251 1.00 51.11 C ATOM 1051 O PHE A 68 -4.406 18.529 4.816 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.174 19.349 7.680 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.484 20.198 8.708 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.113 20.397 8.655 1.00 14.15 C ATOM 1055 CD2 PHE A 68 -3.206 20.799 9.727 1.00 41.10 C ATOM 1056 CE1 PHE A 68 -0.475 21.180 9.600 1.00 73.42 C ATOM 1057 CE2 PHE A 68 -2.574 21.583 10.673 1.00 25.24 C ATOM 1058 CZ PHE A 68 -1.206 21.772 10.610 1.00 11.45 C ATOM 0 H PHE A 68 -4.931 20.786 6.328 1.00 0.43 H new ATOM 0 HA PHE A 68 -2.028 20.265 6.111 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.232 19.275 7.933 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.765 18.339 7.721 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.537 19.935 7.867 1.00 14.15 H new ATOM 0 HD2 PHE A 68 -4.275 20.653 9.782 1.00 41.10 H new ATOM 0 HE1 PHE A 68 0.594 21.328 9.548 1.00 73.42 H new ATOM 0 HE2 PHE A 68 -3.148 22.048 11.461 1.00 25.24 H new ATOM 0 HZ PHE A 68 -0.710 22.382 11.350 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.207 18.062 4.887 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.297 16.963 3.934 1.00 72.31 C ATOM 1070 C PHE A 69 -1.467 15.770 4.399 1.00 34.23 C ATOM 1071 O PHE A 69 -0.240 15.783 4.313 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.827 17.418 2.551 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.494 16.687 1.420 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.875 16.626 1.337 1.00 61.42 C ATOM 1075 CD2 PHE A 69 -1.738 16.061 0.442 1.00 34.50 C ATOM 1076 CE1 PHE A 69 -4.492 15.953 0.297 1.00 54.41 C ATOM 1077 CE2 PHE A 69 -2.349 15.387 -0.599 1.00 50.31 C ATOM 1078 CZ PHE A 69 -3.727 15.333 -0.671 1.00 73.11 C ATOM 0 H PHE A 69 -1.266 18.239 5.238 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.341 16.655 3.872 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -2.017 18.486 2.445 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.749 17.277 2.478 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.477 17.109 2.092 1.00 61.42 H new ATOM 0 HD2 PHE A 69 -0.660 16.100 0.493 1.00 34.50 H new ATOM 0 HE1 PHE A 69 -5.570 15.913 0.243 1.00 54.41 H new ATOM 0 HE2 PHE A 69 -1.749 14.903 -1.355 1.00 50.31 H new ATOM 0 HZ PHE A 69 -4.206 14.807 -1.483 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.147 14.739 4.892 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.473 13.538 5.370 1.00 12.31 C ATOM 1090 C VAL A 70 -1.969 12.300 4.633 1.00 74.44 C ATOM 1091 O VAL A 70 -3.172 12.118 4.441 1.00 2.54 O ATOM 1092 CB VAL A 70 -1.685 13.341 6.883 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -0.816 12.204 7.401 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.394 14.631 7.635 1.00 33.01 C ATOM 0 H VAL A 70 -3.164 14.712 4.971 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.409 13.672 5.174 1.00 12.31 H new ATOM 0 HB VAL A 70 -2.728 13.076 7.054 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -0.979 12.080 8.472 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.079 11.281 6.884 1.00 42.23 H new ATOM 0 HG13 VAL A 70 0.233 12.436 7.219 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.549 14.473 8.702 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.361 14.930 7.459 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.064 15.416 7.284 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.035 11.449 4.222 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.377 10.225 3.506 1.00 43.14 C ATOM 1106 C ASP A 71 -2.288 10.525 2.320 1.00 50.35 C ATOM 1107 O ASP A 71 -3.269 9.822 2.084 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.057 9.230 4.448 1.00 2.43 C ATOM 1109 CG ASP A 71 -1.880 7.793 3.999 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -0.915 7.519 3.255 1.00 70.50 O ATOM 1111 OD2 ASP A 71 -2.705 6.944 4.392 1.00 33.12 O1- ATOM 0 H ASP A 71 -0.035 11.584 4.372 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.454 9.784 3.130 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -1.648 9.347 5.452 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -3.121 9.460 4.508 1.00 2.43 H new ATOM 1116 N GLY A 72 -1.956 11.577 1.577 1.00 50.22 N ATOM 1117 CA GLY A 72 -2.756 11.954 0.425 1.00 61.42 C ATOM 1118 C GLY A 72 -4.211 12.186 0.781 1.00 44.45 C ATOM 1119 O GLY A 72 -5.089 12.081 -0.075 1.00 1.33 O ATOM 0 H GLY A 72 -1.148 12.175 1.752 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.344 12.861 -0.018 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -2.690 11.172 -0.331 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.465 12.504 2.046 1.00 51.05 N ATOM 1124 CA GLN A 73 -5.825 12.750 2.512 1.00 43.53 C ATOM 1125 C GLN A 73 -5.949 14.147 3.112 1.00 15.15 C ATOM 1126 O GLN A 73 -4.953 14.759 3.497 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.230 11.700 3.547 1.00 0.22 C ATOM 1128 CG GLN A 73 -6.657 10.375 2.934 1.00 40.22 C ATOM 1129 CD GLN A 73 -7.753 10.537 1.901 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -7.692 9.955 0.817 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -8.766 11.331 2.231 1.00 65.41 N ATOM 0 H GLN A 73 -3.748 12.597 2.766 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.495 12.681 1.655 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.392 11.525 4.222 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.049 12.093 4.150 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -5.793 9.898 2.470 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -7.003 9.708 3.724 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -8.776 11.794 3.140 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -9.533 11.478 1.575 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.179 14.645 3.189 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.433 15.970 3.742 1.00 50.15 C ATOM 1142 C TRP A 74 -7.835 15.880 5.210 1.00 34.22 C ATOM 1143 O TRP A 74 -8.738 15.124 5.570 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.529 16.677 2.943 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.222 16.784 1.479 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.559 15.890 0.504 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.515 17.845 0.828 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.105 16.331 -0.715 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.461 17.528 -0.544 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -6.924 19.032 1.268 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -6.839 18.355 -1.475 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -6.307 19.852 0.343 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -6.268 19.511 -1.016 1.00 51.10 C ATOM 0 H TRP A 74 -8.015 14.151 2.876 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.511 16.548 3.672 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.468 16.138 3.072 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.678 17.677 3.350 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -9.103 14.971 0.667 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.228 15.846 -1.604 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -6.949 19.304 2.313 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -6.808 18.094 -2.522 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -5.847 20.772 0.673 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -5.778 20.173 -1.714 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.159 16.653 6.053 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.448 16.660 7.483 1.00 44.01 C ATOM 1166 C VAL A 75 -7.360 18.072 8.054 1.00 31.52 C ATOM 1167 O VAL A 75 -6.645 18.923 7.526 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.480 15.745 8.255 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -6.625 14.302 7.793 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.045 16.224 8.088 1.00 31.10 C ATOM 0 H VAL A 75 -6.408 17.283 5.771 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.464 16.285 7.603 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.733 15.790 9.314 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -5.933 13.670 8.350 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -7.646 13.964 7.969 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -6.400 14.236 6.729 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.375 15.565 8.640 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -4.778 16.210 7.031 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.953 17.240 8.472 1.00 31.10 H new ATOM 1180 N HIS A 76 -8.093 18.312 9.137 1.00 63.01 N ATOM 1181 CA HIS A 76 -8.097 19.620 9.781 1.00 74.30 C ATOM 1182 C HIS A 76 -7.475 19.543 11.172 1.00 62.21 C ATOM 1183 O HIS A 76 -7.271 18.455 11.712 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.525 20.159 9.878 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.333 19.523 10.967 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.578 19.923 12.237 1.00 13.43 N flip ATOM 1187 CD2 HIS A 76 -10.999 18.326 10.808 1.00 41.33 C flip ATOM 1188 CE1 HIS A 76 -11.380 18.972 12.815 1.00 11.05 C flip ATOM 1189 NE2 HIS A 76 -11.621 18.019 11.933 1.00 32.15 N flip ATOM 0 H HIS A 76 -8.691 17.618 9.586 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.500 20.299 9.172 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.488 21.235 10.046 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -10.029 20.003 8.924 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -11.011 17.733 9.906 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -11.754 18.998 13.828 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -12.190 17.188 12.093 1.00 32.15 H new ATOM 1197 N ASP A 77 -7.174 20.703 11.745 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.574 20.767 13.073 1.00 33.21 C ATOM 1199 C ASP A 77 -7.625 21.095 14.129 1.00 70.34 C ATOM 1200 O ASP A 77 -8.201 22.183 14.150 1.00 64.41 O ATOM 1201 CB ASP A 77 -5.460 21.814 13.103 1.00 62.43 C ATOM 1202 CG ASP A 77 -5.795 23.040 12.276 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -6.822 23.688 12.565 1.00 41.33 O ATOM 1204 OD2 ASP A 77 -5.029 23.351 11.341 1.00 44.05 O1- ATOM 0 H ASP A 77 -7.336 21.612 11.311 1.00 1.43 H new ATOM 0 HA ASP A 77 -6.149 19.789 13.300 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -5.275 22.114 14.134 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -4.537 21.369 12.731 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.885 20.132 15.025 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.868 20.294 16.100 1.00 45.12 C ATOM 1211 C PRO A 78 -8.410 21.292 17.158 1.00 52.21 C ATOM 1212 O PRO A 78 -9.231 21.937 17.813 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.973 18.890 16.700 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.669 18.244 16.384 1.00 2.41 C ATOM 1215 CD PRO A 78 -7.236 18.810 15.060 1.00 33.02 C ATOM 0 HA PRO A 78 -9.815 20.686 15.730 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -9.144 18.931 17.776 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.805 18.335 16.266 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.931 18.455 17.158 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.773 17.160 16.330 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -6.151 18.893 14.994 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.559 18.182 14.230 1.00 33.02 H new ATOM 1223 N SER A 79 -7.097 21.416 17.320 1.00 35.34 N ATOM 1224 CA SER A 79 -6.532 22.333 18.302 1.00 5.14 C ATOM 1225 C SER A 79 -6.553 23.767 17.781 1.00 2.34 C ATOM 1226 O SER A 79 -6.616 24.719 18.557 1.00 53.41 O ATOM 1227 CB SER A 79 -5.098 21.925 18.646 1.00 42.01 C ATOM 1228 OG SER A 79 -4.755 22.326 19.961 1.00 3.14 O ATOM 0 H SER A 79 -6.405 20.893 16.784 1.00 35.34 H new ATOM 0 HA SER A 79 -7.143 22.283 19.203 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.992 20.844 18.553 1.00 42.01 H new ATOM 0 HB3 SER A 79 -4.407 22.376 17.933 1.00 42.01 H new ATOM 0 HG SER A 79 -3.835 22.052 20.157 1.00 3.14 H new ATOM 1234 N GLU A 80 -6.498 23.911 16.460 1.00 34.21 N ATOM 1235 CA GLU A 80 -6.510 25.228 15.835 1.00 31.11 C ATOM 1236 C GLU A 80 -7.883 25.536 15.242 1.00 4.43 C ATOM 1237 O GLU A 80 -8.700 24.645 15.008 1.00 53.10 O ATOM 1238 CB GLU A 80 -5.441 25.309 14.743 1.00 21.12 C ATOM 1239 CG GLU A 80 -4.113 25.860 15.233 1.00 61.25 C ATOM 1240 CD GLU A 80 -3.804 27.231 14.661 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -3.305 27.299 13.519 1.00 54.30 O1- ATOM 1242 OE2 GLU A 80 -4.063 28.235 15.358 1.00 23.05 O ATOM 0 H GLU A 80 -6.445 23.132 15.803 1.00 34.21 H new ATOM 0 HA GLU A 80 -6.290 25.969 16.604 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -5.281 24.314 14.328 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.809 25.937 13.932 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -4.128 25.919 16.321 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -3.315 25.169 14.962 1.00 61.25 H new ATOM 1249 N PRO A 81 -8.142 26.828 14.993 1.00 71.34 N ATOM 1250 CA PRO A 81 -9.414 27.285 14.424 1.00 12.23 C ATOM 1251 C PRO A 81 -9.579 26.869 12.967 1.00 54.22 C ATOM 1252 O PRO A 81 -8.676 27.054 12.152 1.00 51.34 O ATOM 1253 CB PRO A 81 -9.327 28.808 14.540 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.868 29.105 14.551 1.00 44.41 C ATOM 1255 CD PRO A 81 -7.214 27.943 15.247 1.00 34.31 C ATOM 0 HA PRO A 81 -10.271 26.853 14.941 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.824 29.298 13.703 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.810 29.164 15.450 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -7.485 29.218 13.537 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -7.664 30.039 15.075 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -6.222 27.740 14.844 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -7.093 28.130 16.314 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.740 26.306 12.645 1.00 52.51 N ATOM 1264 CA VAL A 82 -11.025 25.865 11.285 1.00 44.45 C ATOM 1265 C VAL A 82 -12.109 26.726 10.644 1.00 64.55 C ATOM 1266 O VAL A 82 -12.953 27.296 11.334 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.470 24.391 11.253 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.425 23.505 11.915 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.823 24.229 11.929 1.00 72.14 C ATOM 0 H VAL A 82 -11.498 26.145 13.308 1.00 52.51 H new ATOM 0 HA VAL A 82 -10.099 25.969 10.719 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.570 24.081 10.213 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.756 22.467 11.884 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.478 23.600 11.384 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.292 23.812 12.952 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -13.122 23.181 11.897 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.753 24.555 12.967 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.565 24.834 11.408 1.00 72.14 H new ATOM 1279 N VAL A 83 -12.080 26.813 9.318 1.00 50.41 N ATOM 1280 CA VAL A 83 -13.061 27.603 8.582 1.00 1.01 C ATOM 1281 C VAL A 83 -13.919 26.716 7.686 1.00 10.44 C ATOM 1282 O VAL A 83 -13.683 25.513 7.575 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.380 28.681 7.718 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.383 29.478 8.546 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.701 28.048 6.514 1.00 11.55 C ATOM 0 H VAL A 83 -11.388 26.346 8.731 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.696 28.090 9.322 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.145 29.368 7.355 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -10.912 30.235 7.919 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -11.902 29.963 9.372 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.620 28.808 8.941 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.225 28.824 5.915 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.947 27.338 6.853 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.444 27.527 5.910 1.00 11.55 H new ATOM 1295 N THR A 84 -14.917 27.319 7.048 1.00 44.21 N ATOM 1296 CA THR A 84 -15.811 26.586 6.162 1.00 74.32 C ATOM 1297 C THR A 84 -15.935 27.278 4.809 1.00 53.33 C ATOM 1298 O THR A 84 -16.552 28.337 4.698 1.00 51.12 O ATOM 1299 CB THR A 84 -17.215 26.435 6.778 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.111 26.283 8.199 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.941 25.236 6.186 1.00 25.03 C ATOM 0 H THR A 84 -15.126 28.314 7.129 1.00 44.21 H new ATOM 0 HA THR A 84 -15.375 25.597 6.023 1.00 74.32 H new ATOM 0 HB THR A 84 -17.787 27.334 6.549 1.00 3.04 H new ATOM 0 HG1 THR A 84 -18.007 26.189 8.584 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.930 25.150 6.637 1.00 25.03 H new ATOM 0 HG22 THR A 84 -18.043 25.368 5.109 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.371 24.329 6.388 1.00 25.03 H new ATOM 1309 N SER A 85 -15.346 26.672 3.783 1.00 12.31 N ATOM 1310 CA SER A 85 -15.389 27.233 2.438 1.00 62.15 C ATOM 1311 C SER A 85 -16.776 27.069 1.825 1.00 62.25 C ATOM 1312 O SER A 85 -17.582 26.266 2.293 1.00 25.40 O ATOM 1313 CB SER A 85 -14.342 26.559 1.548 1.00 73.20 C ATOM 1314 OG SER A 85 -13.191 27.373 1.409 1.00 45.01 O ATOM 0 H SER A 85 -14.834 25.793 3.858 1.00 12.31 H new ATOM 0 HA SER A 85 -15.166 28.298 2.507 1.00 62.15 H new ATOM 0 HB2 SER A 85 -14.061 25.597 1.976 1.00 73.20 H new ATOM 0 HB3 SER A 85 -14.770 26.358 0.566 1.00 73.20 H new ATOM 0 HG SER A 85 -12.537 26.919 0.838 1.00 45.01 H new ATOM 1320 N GLN A 86 -17.045 27.836 0.774 1.00 54.44 N ATOM 1321 CA GLN A 86 -18.336 27.777 0.096 1.00 2.41 C ATOM 1322 C GLN A 86 -18.617 26.369 -0.417 1.00 50.10 C ATOM 1323 O GLN A 86 -19.772 25.981 -0.597 1.00 4.23 O ATOM 1324 CB GLN A 86 -18.372 28.772 -1.066 1.00 4.33 C ATOM 1325 CG GLN A 86 -18.418 30.225 -0.620 1.00 61.13 C ATOM 1326 CD GLN A 86 -19.751 30.605 -0.006 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -20.716 29.844 -0.069 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -19.811 31.788 0.594 1.00 50.44 N ATOM 0 H GLN A 86 -16.388 28.505 0.373 1.00 54.44 H new ATOM 0 HA GLN A 86 -19.109 28.043 0.817 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -17.492 28.620 -1.691 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -19.244 28.563 -1.686 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -17.624 30.404 0.105 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -18.219 30.870 -1.476 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -18.986 32.388 0.623 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -20.682 32.097 1.026 1.00 50.44 H new ATOM 1337 N LEU A 87 -17.554 25.607 -0.652 1.00 53.55 N ATOM 1338 CA LEU A 87 -17.686 24.241 -1.146 1.00 32.15 C ATOM 1339 C LEU A 87 -18.121 23.298 -0.028 1.00 71.20 C ATOM 1340 O LEU A 87 -18.559 22.177 -0.282 1.00 72.13 O ATOM 1341 CB LEU A 87 -16.361 23.763 -1.744 1.00 52.11 C ATOM 1342 CG LEU A 87 -16.459 22.649 -2.786 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -15.405 22.834 -3.867 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -16.313 21.286 -2.125 1.00 21.21 C ATOM 0 H LEU A 87 -16.591 25.912 -0.508 1.00 53.55 H new ATOM 0 HA LEU A 87 -18.451 24.234 -1.922 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -15.862 24.618 -2.201 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -15.722 23.418 -0.931 1.00 52.11 H new ATOM 0 HG LEU A 87 -17.442 22.701 -3.253 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -15.490 22.031 -4.600 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -15.555 23.794 -4.361 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -14.413 22.809 -3.416 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -16.385 20.505 -2.882 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -15.344 21.223 -1.630 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -17.105 21.152 -1.389 1.00 21.21 H new ATOM 1356 N GLY A 88 -17.998 23.762 1.213 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.385 22.949 2.350 1.00 24.33 C ATOM 1358 C GLY A 88 -17.215 22.186 2.942 1.00 1.42 C ATOM 1359 O GLY A 88 -17.404 21.246 3.715 1.00 3.52 O ATOM 0 H GLY A 88 -17.637 24.686 1.450 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -18.824 23.587 3.117 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.157 22.243 2.042 1.00 24.33 H new ATOM 1363 N THR A 89 -16.002 22.591 2.578 1.00 71.55 N ATOM 1364 CA THR A 89 -14.797 21.937 3.075 1.00 55.20 C ATOM 1365 C THR A 89 -14.252 22.655 4.304 1.00 10.24 C ATOM 1366 O THR A 89 -14.215 23.884 4.352 1.00 41.43 O ATOM 1367 CB THR A 89 -13.701 21.885 1.996 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.204 23.203 1.737 1.00 42.53 O ATOM 1369 CG2 THR A 89 -14.236 21.278 0.709 1.00 71.24 C ATOM 0 H THR A 89 -15.828 23.368 1.941 1.00 71.55 H new ATOM 0 HA THR A 89 -15.077 20.919 3.346 1.00 55.20 H new ATOM 0 HB THR A 89 -12.890 21.257 2.365 1.00 22.31 H new ATOM 0 HG1 THR A 89 -12.506 23.160 1.051 1.00 42.53 H new ATOM 0 HG21 THR A 89 -13.443 21.252 -0.038 1.00 71.24 H new ATOM 0 HG22 THR A 89 -14.585 20.264 0.903 1.00 71.24 H new ATOM 0 HG23 THR A 89 -15.064 21.882 0.338 1.00 71.24 H new ATOM 1377 N ILE A 90 -13.827 21.879 5.296 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.282 22.442 6.526 1.00 62.33 C ATOM 1379 C ILE A 90 -11.779 22.674 6.404 1.00 55.32 C ATOM 1380 O ILE A 90 -10.998 21.726 6.325 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.551 21.524 7.733 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -15.055 21.298 7.903 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.954 22.123 8.998 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.822 22.558 8.235 1.00 10.43 C ATOM 0 H ILE A 90 -13.849 20.860 5.272 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.784 23.396 6.687 1.00 62.33 H new ATOM 0 HB ILE A 90 -13.075 20.560 7.551 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.456 20.870 6.984 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -15.217 20.565 8.693 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -13.153 21.463 9.842 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.877 22.238 8.873 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.404 23.098 9.186 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.881 22.322 8.341 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.448 22.976 9.170 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.691 23.286 7.434 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.381 23.942 6.390 1.00 75.15 N ATOM 1397 CA ASN A 91 -9.972 24.299 6.279 1.00 52.40 C ATOM 1398 C ASN A 91 -9.454 24.882 7.590 1.00 14.34 C ATOM 1399 O ASN A 91 -10.167 24.911 8.593 1.00 44.21 O ATOM 1400 CB ASN A 91 -9.768 25.306 5.145 1.00 44.32 C ATOM 1401 CG ASN A 91 -10.095 24.720 3.786 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -10.382 23.528 3.664 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -10.052 25.556 2.755 1.00 51.12 N ATOM 0 H ASN A 91 -12.014 24.739 6.454 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.409 23.392 6.057 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -10.395 26.180 5.321 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -8.734 25.650 5.150 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -10.262 25.218 1.816 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -9.809 26.536 2.903 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.208 25.345 7.574 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.595 25.928 8.762 1.00 25.44 C ATOM 1412 C ASN A 92 -7.184 27.374 8.509 1.00 42.41 C ATOM 1413 O ASN A 92 -6.670 27.709 7.441 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.374 25.106 9.185 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.605 23.614 9.048 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -7.700 23.130 9.622 1.00 14.31 O flip ATOM 1417 ND2 ASN A 92 -5.809 22.905 8.431 1.00 64.12 N flip ATOM 0 H ASN A 92 -7.604 25.328 6.752 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.332 25.914 9.565 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.517 25.395 8.577 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -6.124 25.338 10.220 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -4.980 23.320 8.006 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -5.979 21.903 8.345 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.413 28.231 9.499 1.00 31.22 N ATOM 1425 CA LEU A 93 -7.067 29.643 9.384 1.00 13.40 C ATOM 1426 C LEU A 93 -5.918 30.001 10.321 1.00 33.45 C ATOM 1427 O LEU A 93 -5.943 29.663 11.506 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.286 30.514 9.698 1.00 61.04 C ATOM 1429 CG LEU A 93 -8.012 32.006 9.891 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.377 32.598 8.642 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.298 32.742 10.238 1.00 44.50 C ATOM 0 H LEU A 93 -7.837 27.972 10.390 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.747 29.831 8.359 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -9.008 30.399 8.889 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.758 30.131 10.603 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.313 32.124 10.719 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.189 33.660 8.798 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.435 32.089 8.437 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -8.051 32.469 7.795 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.085 33.803 10.372 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -10.019 32.616 9.430 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.712 32.336 11.161 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.915 30.686 9.785 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.759 31.091 10.574 1.00 23.02 C ATOM 1445 C ILE A 94 -3.511 32.592 10.456 1.00 33.42 C ATOM 1446 O ILE A 94 -3.598 33.162 9.368 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.488 30.336 10.141 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.282 30.818 10.949 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.243 30.524 8.651 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.288 29.721 11.263 1.00 55.11 C ATOM 0 H ILE A 94 -4.879 30.973 8.807 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.983 30.842 11.611 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.630 29.273 10.335 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.776 31.608 10.395 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.633 31.258 11.883 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.342 29.985 8.360 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -3.094 30.137 8.091 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.117 31.585 8.434 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.541 30.135 11.838 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.779 28.941 11.844 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.091 29.297 10.333 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.201 33.225 11.583 1.00 31.02 N ATOM 1463 CA HIS A 95 -2.939 34.659 11.606 1.00 3.12 C ATOM 1464 C HIS A 95 -1.465 34.937 11.887 1.00 23.15 C ATOM 1465 O HIS A 95 -0.820 34.214 12.646 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.808 35.342 12.662 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.269 35.045 12.518 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.194 35.317 13.504 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -5.964 34.500 11.492 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.393 34.949 13.093 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.283 34.450 11.875 1.00 25.13 N ATOM 0 H HIS A 95 -3.125 32.768 12.492 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.188 35.064 10.625 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.477 35.027 13.652 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.657 36.420 12.603 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -5.984 35.737 14.410 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.558 34.167 10.548 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.309 35.040 13.657 1.00 35.13 H new ATOM 1479 N VAL A 96 -0.937 35.989 11.269 1.00 71.41 N ATOM 1480 CA VAL A 96 0.460 36.363 11.452 1.00 30.12 C ATOM 1481 C VAL A 96 0.581 37.743 12.087 1.00 32.13 C ATOM 1482 O VAL A 96 -0.159 38.665 11.743 1.00 62.43 O ATOM 1483 CB VAL A 96 1.224 36.356 10.115 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.670 36.776 10.323 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.146 34.984 9.464 1.00 60.41 C ATOM 0 H VAL A 96 -1.457 36.598 10.637 1.00 71.41 H new ATOM 0 HA VAL A 96 0.901 35.620 12.117 1.00 30.12 H new ATOM 0 HB VAL A 96 0.755 37.077 9.445 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.193 36.765 9.367 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.700 37.782 10.741 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.155 36.083 11.010 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.691 34.998 8.520 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.588 34.241 10.128 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.103 34.729 9.277 1.00 60.41 H new ATOM 1495 N LYS A 97 1.520 37.880 13.018 1.00 13.43 N ATOM 1496 CA LYS A 97 1.741 39.149 13.702 1.00 32.32 C ATOM 1497 C LYS A 97 3.218 39.530 13.678 1.00 33.23 C ATOM 1498 O LYS A 97 4.094 38.667 13.748 1.00 53.25 O ATOM 1499 CB LYS A 97 1.248 39.065 15.148 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.119 38.417 15.289 1.00 24.53 C ATOM 1501 CD LYS A 97 -0.860 38.937 16.510 1.00 41.45 C ATOM 1502 CE LYS A 97 -1.711 40.152 16.169 1.00 62.22 C ATOM 1503 NZ LYS A 97 -0.954 41.423 16.335 1.00 53.42 N1+ ATOM 0 H LYS A 97 2.140 37.127 13.316 1.00 13.43 H new ATOM 0 HA LYS A 97 1.177 39.920 13.177 1.00 32.32 H new ATOM 0 HB2 LYS A 97 1.971 38.500 15.737 1.00 23.44 H new ATOM 0 HB3 LYS A 97 1.209 40.070 15.569 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -0.709 38.612 14.394 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.004 37.336 15.365 1.00 24.53 H new ATOM 0 HD2 LYS A 97 -1.495 38.149 16.915 1.00 41.45 H new ATOM 0 HD3 LYS A 97 -0.143 39.200 17.288 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -2.064 40.071 15.141 1.00 62.22 H new ATOM 0 HE3 LYS A 97 -2.593 40.169 16.809 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -1.622 42.215 16.429 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -0.362 41.366 17.188 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -0.349 41.578 15.504 1.00 53.42 H new ATOM 1517 N LYS A 98 3.488 40.827 13.580 1.00 54.02 N ATOM 1518 CA LYS A 98 4.858 41.323 13.550 1.00 54.22 C ATOM 1519 C LYS A 98 5.415 41.472 14.962 1.00 33.52 C ATOM 1520 O LYS A 98 5.061 42.403 15.685 1.00 54.13 O ATOM 1521 CB LYS A 98 4.919 42.669 12.823 1.00 72.45 C ATOM 1522 CG LYS A 98 6.333 43.178 12.602 1.00 22.24 C ATOM 1523 CD LYS A 98 6.950 42.583 11.348 1.00 61.03 C ATOM 1524 CE LYS A 98 6.448 43.282 10.094 1.00 12.11 C ATOM 1525 NZ LYS A 98 7.321 44.425 9.709 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.775 41.554 13.520 1.00 54.02 H new ATOM 0 HA LYS A 98 5.468 40.597 13.012 1.00 54.22 H new ATOM 0 HB2 LYS A 98 4.421 42.574 11.858 1.00 72.45 H new ATOM 0 HB3 LYS A 98 4.361 43.408 13.398 1.00 72.45 H new ATOM 0 HG2 LYS A 98 6.321 44.265 12.522 1.00 22.24 H new ATOM 0 HG3 LYS A 98 6.950 42.929 13.466 1.00 22.24 H new ATOM 0 HD2 LYS A 98 8.036 42.665 11.401 1.00 61.03 H new ATOM 0 HD3 LYS A 98 6.713 41.521 11.293 1.00 61.03 H new ATOM 0 HE2 LYS A 98 6.403 42.567 9.273 1.00 12.11 H new ATOM 0 HE3 LYS A 98 5.432 43.641 10.260 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 6.945 44.875 8.850 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 7.344 45.120 10.482 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 8.285 44.079 9.525 1.00 62.45 H new