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 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 89 THR OG1 : rot 95:sc= 0.103 USER MOD Set 1.3: A 91 ASN : amide:sc= -0.772 K(o=-0.67,f=-5.7!) USER MOD Set 2.1: A 38 ASN : amide:sc= -0.775 K(o=-0.32,f=-1.1!) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0.456 USER MOD Single : A 20 THR OG1 : rot -100:sc= -0.697 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0102) USER MOD Single : A 34 SER OG : rot 151:sc= -1.05 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0734 K(o=-0.073,f=-0.81) USER MOD Single : A 41 SER OG : rot 180:sc= 0 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= 0.0167 USER MOD Single : A 50 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.38) USER MOD Single : A 51 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.5) USER MOD Single : A 64 HIS :FLIP no HE2:sc= -0.508 F(o=-1.8,f=-0.51) USER MOD Single : A 65 GLN : amide:sc= -3.7! C(o=-3.7!,f=-9.7!) USER MOD Single : A 66 TYR OH : rot 120:sc= 1.03 USER MOD Single : A 67 LYS NZ :NH3+ -160:sc= -0.547 (180deg=-1.5!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.359 F(o=-1.3,f=-0.36) USER MOD Single : A 79 SER OG : rot 180:sc= 0.128 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.35) USER MOD Single : A 92 ASN :FLIP amide:sc= -3.07! C(o=-5!,f=-3.1!) USER MOD Single : A 95 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-4.3!) USER MOD Single : A 97 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.239) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 243 N ARG A 18 7.592 38.291 8.675 1.00 33.52 N ATOM 244 CA ARG A 18 7.542 37.465 9.875 1.00 13.22 C ATOM 245 C ARG A 18 7.072 36.051 9.544 1.00 32.13 C ATOM 246 O ARG A 18 5.905 35.817 9.231 1.00 45.04 O ATOM 247 CB ARG A 18 6.610 38.094 10.914 1.00 74.21 C ATOM 248 CG ARG A 18 7.135 38.002 12.338 1.00 51.14 C ATOM 249 CD ARG A 18 6.507 36.839 13.089 1.00 72.54 C ATOM 250 NE ARG A 18 6.932 36.796 14.486 1.00 24.34 N ATOM 251 CZ ARG A 18 8.098 36.300 14.884 1.00 34.35 C ATOM 252 NH1 ARG A 18 8.950 35.806 13.996 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 8.414 36.296 16.173 1.00 44.41 N ATOM 0 HA ARG A 18 8.549 37.407 10.288 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.452 39.142 10.661 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.638 37.604 10.862 1.00 74.21 H new ATOM 0 HG2 ARG A 18 8.218 37.883 12.321 1.00 51.14 H new ATOM 0 HG3 ARG A 18 6.925 38.933 12.865 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.421 36.922 13.043 1.00 72.54 H new ATOM 0 HD3 ARG A 18 6.776 35.903 12.599 1.00 72.54 H new ATOM 0 HE ARG A 18 6.299 37.167 15.194 1.00 24.34 H new ATOM 0 HH11 ARG A 18 8.711 35.806 13.005 1.00 13.44 H new ATOM 0 HH12 ARG A 18 9.845 35.426 14.304 1.00 13.44 H new ATOM 0 HH21 ARG A 18 7.761 36.674 16.859 1.00 44.41 H new ATOM 0 HH22 ARG A 18 9.310 35.915 16.477 1.00 44.41 H new ATOM 267 N PRO A 19 8.002 35.087 9.614 1.00 42.30 N ATOM 268 CA PRO A 19 7.706 33.681 9.326 1.00 72.54 C ATOM 269 C PRO A 19 6.823 33.043 10.392 1.00 40.44 C ATOM 270 O PRO A 19 6.821 33.468 11.548 1.00 14.01 O ATOM 271 CB PRO A 19 9.089 33.024 9.313 1.00 10.11 C ATOM 272 CG PRO A 19 9.931 33.898 10.176 1.00 63.22 C ATOM 273 CD PRO A 19 9.412 35.296 9.983 1.00 44.21 C ATOM 0 HA PRO A 19 7.154 33.564 8.394 1.00 72.54 H new ATOM 0 HB2 PRO A 19 9.048 32.006 9.701 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.489 32.963 8.301 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.862 33.597 11.221 1.00 63.22 H new ATOM 0 HG3 PRO A 19 10.982 33.829 9.894 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.506 35.889 10.893 1.00 44.21 H new ATOM 0 HD3 PRO A 19 9.958 35.823 9.201 1.00 44.21 H new ATOM 281 N THR A 20 6.072 32.019 9.998 1.00 65.22 N ATOM 282 CA THR A 20 5.184 31.322 10.919 1.00 1.42 C ATOM 283 C THR A 20 5.411 29.816 10.869 1.00 44.04 C ATOM 284 O THR A 20 5.481 29.224 9.792 1.00 14.52 O ATOM 285 CB THR A 20 3.705 31.618 10.606 1.00 74.14 C ATOM 286 OG1 THR A 20 3.455 33.024 10.710 1.00 14.13 O ATOM 287 CG2 THR A 20 2.789 30.863 11.556 1.00 21.30 C ATOM 0 H THR A 20 6.062 31.654 9.046 1.00 65.22 H new ATOM 0 HA THR A 20 5.416 31.688 11.919 1.00 1.42 H new ATOM 0 HB THR A 20 3.498 31.287 9.588 1.00 74.14 H new ATOM 0 HG1 THR A 20 3.036 33.219 11.574 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.750 31.088 11.315 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.961 29.792 11.453 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.998 31.167 12.582 1.00 21.30 H new ATOM 295 N VAL A 21 5.524 29.200 12.041 1.00 72.24 N ATOM 296 CA VAL A 21 5.740 27.760 12.131 1.00 21.13 C ATOM 297 C VAL A 21 4.502 27.050 12.667 1.00 13.22 C ATOM 298 O VAL A 21 3.912 27.476 13.660 1.00 54.24 O ATOM 299 CB VAL A 21 6.942 27.429 13.036 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.745 28.023 14.423 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.148 25.924 13.117 1.00 62.22 C ATOM 0 H VAL A 21 5.470 29.675 12.942 1.00 72.24 H new ATOM 0 HA VAL A 21 5.947 27.407 11.121 1.00 21.13 H new ATOM 0 HB VAL A 21 7.837 27.873 12.600 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.604 27.779 15.049 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.649 29.106 14.345 1.00 41.02 H new ATOM 0 HG13 VAL A 21 5.841 27.610 14.871 1.00 41.02 H new ATOM 0 HG21 VAL A 21 8.001 25.708 13.760 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.254 25.456 13.530 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.337 25.528 12.119 1.00 62.22 H new ATOM 311 N ILE A 22 4.116 25.966 12.004 1.00 3.43 N ATOM 312 CA ILE A 22 2.948 25.195 12.415 1.00 12.44 C ATOM 313 C ILE A 22 3.318 23.742 12.690 1.00 32.43 C ATOM 314 O ILE A 22 4.023 23.111 11.902 1.00 24.12 O ATOM 315 CB ILE A 22 1.841 25.239 11.347 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.564 26.683 10.925 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.573 24.582 11.871 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.493 26.809 9.865 1.00 60.50 C ATOM 0 H ILE A 22 4.594 25.601 11.180 1.00 3.43 H new ATOM 0 HA ILE A 22 2.574 25.651 13.332 1.00 12.44 H new ATOM 0 HB ILE A 22 2.180 24.684 10.472 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.265 27.258 11.802 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.487 27.127 10.552 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.201 24.621 11.104 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.780 23.542 12.125 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.230 25.111 12.760 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.350 27.860 9.615 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.798 26.262 8.973 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.442 26.395 10.242 1.00 60.50 H new ATOM 330 N ARG A 23 2.837 23.216 13.811 1.00 11.32 N ATOM 331 CA ARG A 23 3.116 21.836 14.189 1.00 71.41 C ATOM 332 C ARG A 23 1.932 20.932 13.860 1.00 72.25 C ATOM 333 O ARG A 23 0.781 21.369 13.876 1.00 15.13 O ATOM 334 CB ARG A 23 3.437 21.749 15.683 1.00 10.01 C ATOM 335 CG ARG A 23 3.685 20.331 16.171 1.00 51.15 C ATOM 336 CD ARG A 23 4.433 20.320 17.494 1.00 13.14 C ATOM 337 NE ARG A 23 3.733 19.541 18.513 1.00 73.24 N ATOM 338 CZ ARG A 23 2.640 19.963 19.138 1.00 1.22 C ATOM 339 NH1 ARG A 23 2.124 21.150 18.853 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 2.061 19.196 20.053 1.00 60.42 N ATOM 0 H ARG A 23 2.252 23.725 14.474 1.00 11.32 H new ATOM 0 HA ARG A 23 3.980 21.497 13.618 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.318 22.356 15.893 1.00 10.01 H new ATOM 0 HB3 ARG A 23 2.611 22.180 16.249 1.00 10.01 H new ATOM 0 HG2 ARG A 23 2.733 19.813 16.286 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.258 19.783 15.423 1.00 51.15 H new ATOM 0 HD2 ARG A 23 5.430 19.906 17.343 1.00 13.14 H new ATOM 0 HD3 ARG A 23 4.562 21.344 17.846 1.00 13.14 H new ATOM 0 HE ARG A 23 4.104 18.623 18.758 1.00 73.24 H new ATOM 0 HH11 ARG A 23 2.567 21.743 18.151 1.00 61.23 H new ATOM 0 HH12 ARG A 23 1.284 21.470 19.335 1.00 61.23 H new ATOM 0 HH21 ARG A 23 2.456 18.282 20.276 1.00 60.42 H new ATOM 0 HH22 ARG A 23 1.221 19.520 20.533 1.00 60.42 H new ATOM 354 N TRP A 24 2.223 19.671 13.561 1.00 3.23 N ATOM 355 CA TRP A 24 1.181 18.705 13.226 1.00 15.23 C ATOM 356 C TRP A 24 1.245 17.495 14.151 1.00 63.45 C ATOM 357 O TRP A 24 2.327 17.062 14.548 1.00 54.01 O ATOM 358 CB TRP A 24 1.321 18.259 11.770 1.00 72.25 C ATOM 359 CG TRP A 24 0.408 17.126 11.407 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.772 15.849 11.090 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.021 17.171 11.322 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.343 15.097 10.812 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.456 15.884 10.948 1.00 15.10 C ATOM 364 CE3 TRP A 24 -1.974 18.170 11.528 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -2.802 15.575 10.776 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.311 17.863 11.355 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.714 16.574 10.983 1.00 33.23 C ATOM 0 H TRP A 24 3.170 19.293 13.543 1.00 3.23 H new ATOM 0 HA TRP A 24 0.213 19.189 13.358 1.00 15.23 H new ATOM 0 HB2 TRP A 24 1.115 19.106 11.116 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.353 17.958 11.587 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.788 15.484 11.062 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.343 14.112 10.547 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.672 19.166 11.818 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.116 14.582 10.489 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.056 18.629 11.509 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.766 16.364 10.857 1.00 33.23 H new ATOM 378 N SER A 25 0.079 16.953 14.490 1.00 32.42 N ATOM 379 CA SER A 25 0.004 15.794 15.371 1.00 61.31 C ATOM 380 C SER A 25 -0.945 14.741 14.805 1.00 1.43 C ATOM 381 O SER A 25 -2.128 15.006 14.595 1.00 0.20 O ATOM 382 CB SER A 25 -0.461 16.217 16.766 1.00 74.14 C ATOM 383 OG SER A 25 -0.473 15.114 17.656 1.00 11.02 O ATOM 0 H SER A 25 -0.825 17.298 14.168 1.00 32.42 H new ATOM 0 HA SER A 25 1.001 15.359 15.443 1.00 61.31 H new ATOM 0 HB2 SER A 25 0.199 16.993 17.153 1.00 74.14 H new ATOM 0 HB3 SER A 25 -1.460 16.649 16.704 1.00 74.14 H new ATOM 0 HG SER A 25 -0.772 15.411 18.541 1.00 11.02 H new ATOM 389 N GLU A 26 -0.414 13.547 14.560 1.00 53.04 N ATOM 390 CA GLU A 26 -1.213 12.454 14.016 1.00 60.10 C ATOM 391 C GLU A 26 -0.400 11.164 13.954 1.00 74.23 C ATOM 392 O GLU A 26 -0.854 10.110 14.397 1.00 22.33 O ATOM 393 CB GLU A 26 -1.725 12.814 12.619 1.00 62.15 C ATOM 394 CG GLU A 26 -2.931 11.998 12.185 1.00 12.22 C ATOM 395 CD GLU A 26 -2.873 11.605 10.721 1.00 34.13 C ATOM 396 OE1 GLU A 26 -1.936 10.872 10.341 1.00 61.43 O ATOM 397 OE2 GLU A 26 -3.764 12.031 9.956 1.00 23.12 O1- ATOM 0 H GLU A 26 0.564 13.312 14.729 1.00 53.04 H new ATOM 0 HA GLU A 26 -2.064 12.295 14.678 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -1.986 13.872 12.598 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -0.920 12.670 11.898 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -2.995 11.098 12.797 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -3.839 12.573 12.367 1.00 12.22 H new ATOM 404 N GLY A 27 0.806 11.258 13.401 1.00 15.14 N ATOM 405 CA GLY A 27 1.663 10.091 13.291 1.00 4.13 C ATOM 406 C GLY A 27 1.689 9.522 11.885 1.00 73.25 C ATOM 407 O GLY A 27 1.723 8.306 11.702 1.00 40.05 O ATOM 0 H GLY A 27 1.204 12.120 13.028 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.676 10.358 13.590 1.00 4.13 H new ATOM 0 HA3 GLY A 27 1.318 9.324 13.984 1.00 4.13 H new ATOM 411 N GLY A 28 1.671 10.403 10.890 1.00 1.41 N ATOM 412 CA GLY A 28 1.691 9.962 9.508 1.00 61.23 C ATOM 413 C GLY A 28 3.097 9.865 8.952 1.00 31.04 C ATOM 414 O GLY A 28 4.058 10.294 9.591 1.00 11.20 O ATOM 0 H GLY A 28 1.643 11.415 11.016 1.00 1.41 H new ATOM 0 HA2 GLY A 28 1.206 8.989 9.433 1.00 61.23 H new ATOM 0 HA3 GLY A 28 1.110 10.655 8.900 1.00 61.23 H new ATOM 418 N LYS A 29 3.220 9.299 7.756 1.00 2.02 N ATOM 419 CA LYS A 29 4.519 9.145 7.111 1.00 70.24 C ATOM 420 C LYS A 29 4.811 10.323 6.188 1.00 44.33 C ATOM 421 O LYS A 29 5.963 10.729 6.031 1.00 44.34 O ATOM 422 CB LYS A 29 4.567 7.837 6.318 1.00 33.13 C ATOM 423 CG LYS A 29 3.417 7.679 5.339 1.00 54.20 C ATOM 424 CD LYS A 29 2.484 6.552 5.751 1.00 2.42 C ATOM 425 CE LYS A 29 2.939 5.215 5.184 1.00 32.15 C ATOM 426 NZ LYS A 29 2.597 5.080 3.741 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.435 8.939 7.213 1.00 2.02 H new ATOM 0 HA LYS A 29 5.282 9.118 7.889 1.00 70.24 H new ATOM 0 HB2 LYS A 29 5.509 7.787 5.771 1.00 33.13 H new ATOM 0 HB3 LYS A 29 4.558 6.999 7.015 1.00 33.13 H new ATOM 0 HG2 LYS A 29 2.857 8.613 5.280 1.00 54.20 H new ATOM 0 HG3 LYS A 29 3.811 7.480 4.342 1.00 54.20 H new ATOM 0 HD2 LYS A 29 2.443 6.492 6.839 1.00 2.42 H new ATOM 0 HD3 LYS A 29 1.474 6.770 5.405 1.00 2.42 H new ATOM 0 HE2 LYS A 29 4.017 5.114 5.313 1.00 32.15 H new ATOM 0 HE3 LYS A 29 2.473 4.405 5.745 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 2.815 4.115 3.421 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 1.583 5.269 3.605 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 3.154 5.762 3.187 1.00 31.05 H new ATOM 440 N GLU A 30 3.762 10.868 5.581 1.00 70.41 N ATOM 441 CA GLU A 30 3.908 12.001 4.674 1.00 31.12 C ATOM 442 C GLU A 30 2.910 13.104 5.017 1.00 62.13 C ATOM 443 O GLU A 30 1.698 12.907 4.935 1.00 50.04 O ATOM 444 CB GLU A 30 3.710 11.551 3.225 1.00 52.54 C ATOM 445 CG GLU A 30 2.489 10.670 3.023 1.00 64.11 C ATOM 446 CD GLU A 30 2.392 10.122 1.612 1.00 64.32 C ATOM 447 OE1 GLU A 30 3.399 10.192 0.877 1.00 24.13 O1- ATOM 448 OE2 GLU A 30 1.308 9.622 1.244 1.00 41.54 O ATOM 0 H GLU A 30 2.802 10.544 5.700 1.00 70.41 H new ATOM 0 HA GLU A 30 4.916 12.399 4.789 1.00 31.12 H new ATOM 0 HB2 GLU A 30 3.621 12.432 2.589 1.00 52.54 H new ATOM 0 HB3 GLU A 30 4.597 11.009 2.897 1.00 52.54 H new ATOM 0 HG2 GLU A 30 2.523 9.841 3.729 1.00 64.11 H new ATOM 0 HG3 GLU A 30 1.590 11.244 3.249 1.00 64.11 H new ATOM 455 N VAL A 31 3.431 14.265 5.401 1.00 74.14 N ATOM 456 CA VAL A 31 2.587 15.401 5.756 1.00 50.44 C ATOM 457 C VAL A 31 2.998 16.652 4.988 1.00 42.45 C ATOM 458 O VAL A 31 4.182 16.976 4.894 1.00 5.15 O ATOM 459 CB VAL A 31 2.650 15.696 7.266 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.630 16.758 7.646 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.429 14.422 8.067 1.00 3.42 C ATOM 0 H VAL A 31 4.432 14.444 5.474 1.00 74.14 H new ATOM 0 HA VAL A 31 1.565 15.132 5.488 1.00 50.44 H new ATOM 0 HB VAL A 31 3.643 16.079 7.502 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.689 16.953 8.717 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.840 17.676 7.098 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.629 16.407 7.396 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.477 14.649 9.132 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.450 14.007 7.828 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.202 13.696 7.816 1.00 3.42 H new ATOM 471 N PHE A 32 2.012 17.351 4.438 1.00 3.30 N ATOM 472 CA PHE A 32 2.269 18.568 3.676 1.00 33.30 C ATOM 473 C PHE A 32 1.340 19.694 4.118 1.00 0.43 C ATOM 474 O PHE A 32 0.433 19.485 4.923 1.00 64.31 O ATOM 475 CB PHE A 32 2.093 18.305 2.179 1.00 54.22 C ATOM 476 CG PHE A 32 2.912 17.152 1.672 1.00 44.23 C ATOM 477 CD1 PHE A 32 4.226 17.342 1.273 1.00 31.12 C ATOM 478 CD2 PHE A 32 2.369 15.880 1.595 1.00 61.04 C ATOM 479 CE1 PHE A 32 4.981 16.283 0.806 1.00 15.41 C ATOM 480 CE2 PHE A 32 3.121 14.817 1.130 1.00 62.11 C ATOM 481 CZ PHE A 32 4.429 15.019 0.736 1.00 40.11 C ATOM 0 H PHE A 32 1.027 17.096 4.505 1.00 3.30 H new ATOM 0 HA PHE A 32 3.298 18.874 3.866 1.00 33.30 H new ATOM 0 HB2 PHE A 32 1.040 18.110 1.974 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.365 19.204 1.626 1.00 54.22 H new ATOM 0 HD1 PHE A 32 4.664 18.328 1.328 1.00 31.12 H new ATOM 0 HD2 PHE A 32 1.346 15.717 1.902 1.00 61.04 H new ATOM 0 HE1 PHE A 32 6.003 16.444 0.496 1.00 15.41 H new ATOM 0 HE2 PHE A 32 2.686 13.830 1.075 1.00 62.11 H new ATOM 0 HZ PHE A 32 5.019 14.190 0.374 1.00 40.11 H new ATOM 491 N ILE A 33 1.574 20.890 3.587 1.00 13.34 N ATOM 492 CA ILE A 33 0.759 22.049 3.926 1.00 72.44 C ATOM 493 C ILE A 33 0.539 22.941 2.710 1.00 11.41 C ATOM 494 O ILE A 33 1.456 23.173 1.923 1.00 13.30 O ATOM 495 CB ILE A 33 1.403 22.882 5.050 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.505 24.064 5.418 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.782 23.368 4.625 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.848 24.692 6.751 1.00 0.14 C ATOM 0 H ILE A 33 2.322 21.081 2.920 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.202 21.668 4.273 1.00 72.44 H new ATOM 0 HB ILE A 33 1.517 22.250 5.931 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.579 24.822 4.639 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.532 23.729 5.440 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.225 23.955 5.430 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.419 22.511 4.409 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.691 23.987 3.732 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.171 25.523 6.947 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.746 23.948 7.541 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.874 25.058 6.727 1.00 0.14 H new ATOM 510 N SER A 34 -0.684 23.442 2.563 1.00 74.21 N ATOM 511 CA SER A 34 -1.025 24.309 1.441 1.00 21.11 C ATOM 512 C SER A 34 -2.088 25.326 1.843 1.00 75.54 C ATOM 513 O SER A 34 -3.034 25.001 2.560 1.00 75.43 O ATOM 514 CB SER A 34 -1.523 23.475 0.258 1.00 25.35 C ATOM 515 OG SER A 34 -0.806 22.257 0.156 1.00 52.43 O ATOM 0 H SER A 34 -1.455 23.262 3.207 1.00 74.21 H new ATOM 0 HA SER A 34 -0.125 24.848 1.144 1.00 21.11 H new ATOM 0 HB2 SER A 34 -2.586 23.266 0.378 1.00 25.35 H new ATOM 0 HB3 SER A 34 -1.412 24.044 -0.665 1.00 25.35 H new ATOM 0 HG SER A 34 -1.380 21.572 -0.246 1.00 52.43 H new ATOM 521 N GLY A 35 -1.925 26.560 1.377 1.00 54.31 N ATOM 522 CA GLY A 35 -2.877 27.607 1.699 1.00 42.32 C ATOM 523 C GLY A 35 -2.822 28.762 0.718 1.00 45.21 C ATOM 524 O GLY A 35 -2.148 28.683 -0.308 1.00 21.03 O ATOM 0 H GLY A 35 -1.150 26.854 0.782 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.884 27.189 1.707 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.678 27.978 2.704 1.00 42.32 H new ATOM 528 N SER A 36 -3.535 29.838 1.034 1.00 75.24 N ATOM 529 CA SER A 36 -3.570 31.013 0.171 1.00 34.33 C ATOM 530 C SER A 36 -2.196 31.673 0.098 1.00 71.13 C ATOM 531 O SER A 36 -1.921 32.463 -0.807 1.00 4.31 O ATOM 532 CB SER A 36 -4.604 32.018 0.681 1.00 65.34 C ATOM 533 OG SER A 36 -4.483 33.260 0.009 1.00 13.12 O ATOM 0 H SER A 36 -4.096 29.921 1.882 1.00 75.24 H new ATOM 0 HA SER A 36 -3.853 30.689 -0.830 1.00 34.33 H new ATOM 0 HB2 SER A 36 -5.607 31.618 0.535 1.00 65.34 H new ATOM 0 HB3 SER A 36 -4.473 32.167 1.753 1.00 65.34 H new ATOM 0 HG SER A 36 -5.156 33.884 0.352 1.00 13.12 H new ATOM 539 N PHE A 37 -1.336 31.344 1.056 1.00 23.10 N ATOM 540 CA PHE A 37 0.009 31.905 1.101 1.00 11.12 C ATOM 541 C PHE A 37 0.882 31.317 -0.003 1.00 50.51 C ATOM 542 O PHE A 37 1.885 31.909 -0.398 1.00 73.12 O ATOM 543 CB PHE A 37 0.648 31.640 2.467 1.00 22.03 C ATOM 544 CG PHE A 37 0.808 30.181 2.782 1.00 62.52 C ATOM 545 CD1 PHE A 37 1.926 29.484 2.354 1.00 1.14 C ATOM 546 CD2 PHE A 37 -0.162 29.506 3.505 1.00 4.33 C ATOM 547 CE1 PHE A 37 2.076 28.140 2.642 1.00 24.12 C ATOM 548 CE2 PHE A 37 -0.018 28.162 3.797 1.00 63.12 C ATOM 549 CZ PHE A 37 1.101 27.479 3.364 1.00 45.15 C ATOM 0 H PHE A 37 -1.547 30.692 1.811 1.00 23.10 H new ATOM 0 HA PHE A 37 -0.068 32.981 0.944 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.626 32.120 2.501 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.038 32.106 3.241 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.690 29.997 1.788 1.00 1.14 H new ATOM 0 HD2 PHE A 37 -1.040 30.035 3.844 1.00 4.33 H new ATOM 0 HE1 PHE A 37 2.953 27.608 2.303 1.00 24.12 H new ATOM 0 HE2 PHE A 37 -0.780 27.647 4.363 1.00 63.12 H new ATOM 0 HZ PHE A 37 1.214 26.429 3.589 1.00 45.15 H new ATOM 559 N ASN A 38 0.491 30.146 -0.498 1.00 22.03 N ATOM 560 CA ASN A 38 1.238 29.477 -1.556 1.00 73.21 C ATOM 561 C ASN A 38 0.374 29.295 -2.800 1.00 65.12 C ATOM 562 O ASN A 38 0.713 28.524 -3.697 1.00 33.34 O ATOM 563 CB ASN A 38 1.744 28.117 -1.071 1.00 74.54 C ATOM 564 CG ASN A 38 3.034 27.703 -1.752 1.00 31.23 C ATOM 565 OD1 ASN A 38 4.127 28.022 -1.283 1.00 32.13 O ATOM 566 ND2 ASN A 38 2.912 26.988 -2.864 1.00 70.32 N ATOM 0 H ASN A 38 -0.338 29.642 -0.183 1.00 22.03 H new ATOM 0 HA ASN A 38 2.091 30.104 -1.815 1.00 73.21 H new ATOM 0 HB2 ASN A 38 1.901 28.154 0.007 1.00 74.54 H new ATOM 0 HB3 ASN A 38 0.980 27.361 -1.256 1.00 74.54 H new ATOM 0 HD21 ASN A 38 3.745 26.680 -3.366 1.00 70.32 H new ATOM 0 HD22 ASN A 38 1.986 26.747 -3.216 1.00 70.32 H new ATOM 573 N ASN A 39 -0.745 30.011 -2.846 1.00 74.22 N ATOM 574 CA ASN A 39 -1.659 29.929 -3.980 1.00 43.44 C ATOM 575 C ASN A 39 -2.200 28.512 -4.141 1.00 54.22 C ATOM 576 O ASN A 39 -2.698 28.144 -5.206 1.00 61.41 O ATOM 577 CB ASN A 39 -0.951 30.367 -5.265 1.00 4.25 C ATOM 578 CG ASN A 39 -1.858 31.166 -6.181 1.00 33.23 C ATOM 579 OD1 ASN A 39 -3.083 31.084 -6.085 1.00 13.05 O ATOM 580 ND2 ASN A 39 -1.259 31.942 -7.076 1.00 32.44 N ATOM 0 H ASN A 39 -1.041 30.654 -2.112 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.497 30.599 -3.789 1.00 43.44 H new ATOM 0 HB2 ASN A 39 -0.078 30.967 -5.009 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.588 29.486 -5.795 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -1.817 32.502 -7.721 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -0.241 31.978 -7.119 1.00 32.44 H new ATOM 587 N TRP A 40 -2.098 27.721 -3.080 1.00 11.01 N ATOM 588 CA TRP A 40 -2.578 26.344 -3.104 1.00 32.51 C ATOM 589 C TRP A 40 -2.010 25.590 -4.301 1.00 23.40 C ATOM 590 O TRP A 40 -2.641 24.672 -4.824 1.00 14.41 O ATOM 591 CB TRP A 40 -4.106 26.315 -3.145 1.00 1.54 C ATOM 592 CG TRP A 40 -4.745 27.167 -2.089 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.958 28.515 -2.143 1.00 31.41 C ATOM 594 CD2 TRP A 40 -5.252 26.728 -0.824 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.567 28.940 -0.987 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.758 27.864 -0.163 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.328 25.486 -0.187 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.331 27.792 1.104 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -5.897 25.417 1.070 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.393 26.563 1.705 1.00 71.30 C ATOM 0 H TRP A 40 -1.687 28.009 -2.192 1.00 11.01 H new ATOM 0 HA TRP A 40 -2.237 25.851 -2.193 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.442 26.651 -4.126 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.446 25.286 -3.027 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.688 29.153 -2.972 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.834 29.902 -0.777 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -4.949 24.597 -0.669 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.713 28.674 1.596 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -5.961 24.463 1.572 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.833 26.476 2.688 1.00 71.30 H new ATOM 611 N SER A 41 -0.815 25.984 -4.731 1.00 74.51 N ATOM 612 CA SER A 41 -0.165 25.348 -5.871 1.00 24.05 C ATOM 613 C SER A 41 0.692 24.170 -5.418 1.00 42.45 C ATOM 614 O SER A 41 0.348 23.010 -5.648 1.00 72.12 O ATOM 615 CB SER A 41 0.698 26.362 -6.624 1.00 64.43 C ATOM 616 OG SER A 41 1.320 25.765 -7.748 1.00 75.12 O ATOM 0 H SER A 41 -0.278 26.740 -4.307 1.00 74.51 H new ATOM 0 HA SER A 41 -0.941 24.975 -6.540 1.00 24.05 H new ATOM 0 HB2 SER A 41 0.081 27.200 -6.948 1.00 64.43 H new ATOM 0 HB3 SER A 41 1.458 26.766 -5.955 1.00 64.43 H new ATOM 0 HG SER A 41 1.865 26.433 -8.214 1.00 75.12 H new ATOM 622 N THR A 42 1.814 24.475 -4.772 1.00 73.54 N ATOM 623 CA THR A 42 2.722 23.444 -4.288 1.00 45.04 C ATOM 624 C THR A 42 2.642 23.308 -2.772 1.00 34.20 C ATOM 625 O THR A 42 2.854 24.274 -2.039 1.00 34.44 O ATOM 626 CB THR A 42 4.179 23.746 -4.688 1.00 1.10 C ATOM 627 OG1 THR A 42 4.505 25.102 -4.361 1.00 15.30 O ATOM 628 CG2 THR A 42 4.391 23.513 -6.176 1.00 52.41 C ATOM 0 H THR A 42 2.115 25.429 -4.572 1.00 73.54 H new ATOM 0 HA THR A 42 2.412 22.507 -4.751 1.00 45.04 H new ATOM 0 HB THR A 42 4.832 23.072 -4.134 1.00 1.10 H new ATOM 0 HG1 THR A 42 5.433 25.286 -4.617 1.00 15.30 H new ATOM 0 HG21 THR A 42 5.427 23.733 -6.435 1.00 52.41 H new ATOM 0 HG22 THR A 42 4.170 22.473 -6.417 1.00 52.41 H new ATOM 0 HG23 THR A 42 3.729 24.166 -6.745 1.00 52.41 H new ATOM 636 N LYS A 43 2.333 22.102 -2.307 1.00 53.21 N ATOM 637 CA LYS A 43 2.225 21.838 -0.877 1.00 62.12 C ATOM 638 C LYS A 43 3.606 21.702 -0.243 1.00 0.51 C ATOM 639 O LYS A 43 4.401 20.851 -0.644 1.00 42.43 O ATOM 640 CB LYS A 43 1.412 20.564 -0.632 1.00 42.01 C ATOM 641 CG LYS A 43 2.018 19.325 -1.268 1.00 13.53 C ATOM 642 CD LYS A 43 0.952 18.302 -1.621 1.00 24.00 C ATOM 643 CE LYS A 43 1.405 17.393 -2.754 1.00 21.13 C ATOM 644 NZ LYS A 43 2.311 16.315 -2.271 1.00 63.23 N1+ ATOM 0 H LYS A 43 2.153 21.292 -2.900 1.00 53.21 H new ATOM 0 HA LYS A 43 1.714 22.682 -0.415 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.320 20.403 0.442 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.404 20.706 -1.021 1.00 42.01 H new ATOM 0 HG2 LYS A 43 2.565 19.607 -2.168 1.00 13.53 H new ATOM 0 HG3 LYS A 43 2.739 18.879 -0.583 1.00 13.53 H new ATOM 0 HD2 LYS A 43 0.718 17.701 -0.742 1.00 24.00 H new ATOM 0 HD3 LYS A 43 0.035 18.815 -1.910 1.00 24.00 H new ATOM 0 HE2 LYS A 43 0.533 16.947 -3.233 1.00 21.13 H new ATOM 0 HE3 LYS A 43 1.917 17.985 -3.512 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 2.597 15.717 -3.072 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 3.155 16.740 -1.837 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 1.814 15.734 -1.566 1.00 63.23 H new ATOM 658 N ILE A 44 3.883 22.543 0.746 1.00 50.11 N ATOM 659 CA ILE A 44 5.167 22.514 1.436 1.00 75.21 C ATOM 660 C ILE A 44 5.272 21.298 2.351 1.00 20.24 C ATOM 661 O ILE A 44 4.371 21.001 3.135 1.00 14.21 O ATOM 662 CB ILE A 44 5.387 23.791 2.270 1.00 5.22 C ATOM 663 CG1 ILE A 44 5.803 24.952 1.364 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.437 23.547 3.343 1.00 1.53 C ATOM 665 CD1 ILE A 44 4.645 25.589 0.628 1.00 74.32 C ATOM 0 H ILE A 44 3.236 23.253 1.088 1.00 50.11 H new ATOM 0 HA ILE A 44 5.937 22.455 0.667 1.00 75.21 H new ATOM 0 HB ILE A 44 4.449 24.055 2.759 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.302 25.711 1.966 1.00 22.10 H new ATOM 0 HG13 ILE A 44 6.531 24.592 0.637 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.582 24.458 3.924 1.00 1.53 H new ATOM 0 HG22 ILE A 44 6.104 22.745 4.002 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.379 23.263 2.873 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.014 26.404 0.005 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.159 24.843 -0.001 1.00 74.32 H new ATOM 0 HD13 ILE A 44 3.927 25.980 1.349 1.00 74.32 H new ATOM 677 N PRO A 45 6.400 20.579 2.251 1.00 42.30 N ATOM 678 CA PRO A 45 6.651 19.385 3.064 1.00 74.53 C ATOM 679 C PRO A 45 6.879 19.722 4.533 1.00 40.33 C ATOM 680 O PRO A 45 7.709 20.570 4.865 1.00 40.12 O ATOM 681 CB PRO A 45 7.922 18.798 2.446 1.00 11.42 C ATOM 682 CG PRO A 45 8.608 19.959 1.813 1.00 55.22 C ATOM 683 CD PRO A 45 7.516 20.876 1.338 1.00 3.34 C ATOM 0 HA PRO A 45 5.802 18.701 3.058 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.551 18.332 3.204 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.686 18.029 1.711 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.259 20.464 2.527 1.00 55.22 H new ATOM 0 HG3 PRO A 45 9.235 19.636 0.982 1.00 55.22 H new ATOM 0 HD2 PRO A 45 7.816 21.922 1.397 1.00 3.34 H new ATOM 0 HD3 PRO A 45 7.249 20.679 0.300 1.00 3.34 H new ATOM 691 N LEU A 46 6.140 19.053 5.411 1.00 54.51 N ATOM 692 CA LEU A 46 6.263 19.281 6.846 1.00 11.22 C ATOM 693 C LEU A 46 7.470 18.541 7.414 1.00 63.13 C ATOM 694 O LEU A 46 7.477 17.312 7.490 1.00 34.03 O ATOM 695 CB LEU A 46 4.989 18.830 7.565 1.00 1.32 C ATOM 696 CG LEU A 46 4.137 19.940 8.180 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.471 20.768 7.092 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.093 19.352 9.119 1.00 1.43 C ATOM 0 H LEU A 46 5.449 18.348 5.154 1.00 54.51 H new ATOM 0 HA LEU A 46 6.406 20.349 7.008 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.373 18.276 6.857 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.269 18.134 8.356 1.00 1.32 H new ATOM 0 HG LEU A 46 4.790 20.595 8.757 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.869 21.553 7.549 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.235 21.219 6.459 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.831 20.126 6.487 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.495 20.156 9.548 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.444 18.675 8.564 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.591 18.804 9.919 1.00 1.43 H new ATOM 710 N ILE A 47 8.487 19.298 7.813 1.00 41.44 N ATOM 711 CA ILE A 47 9.697 18.714 8.377 1.00 1.41 C ATOM 712 C ILE A 47 9.378 17.856 9.596 1.00 65.02 C ATOM 713 O ILE A 47 8.898 18.357 10.614 1.00 61.11 O ATOM 714 CB ILE A 47 10.711 19.800 8.780 1.00 11.35 C ATOM 715 CG1 ILE A 47 10.979 20.741 7.603 1.00 2.10 C ATOM 716 CG2 ILE A 47 12.007 19.164 9.261 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.486 20.032 6.367 1.00 52.21 C ATOM 0 H ILE A 47 8.497 20.316 7.756 1.00 41.44 H new ATOM 0 HA ILE A 47 10.136 18.088 7.600 1.00 1.41 H new ATOM 0 HB ILE A 47 10.289 20.383 9.599 1.00 11.35 H new ATOM 0 HG12 ILE A 47 10.060 21.272 7.356 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.709 21.491 7.907 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.713 19.945 9.542 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.803 18.531 10.125 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.434 18.559 8.461 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.654 20.760 5.573 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.422 19.523 6.597 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.747 19.301 6.038 1.00 52.21 H new ATOM 729 N LYS A 48 9.646 16.559 9.488 1.00 55.44 N ATOM 730 CA LYS A 48 9.391 15.630 10.581 1.00 2.01 C ATOM 731 C LYS A 48 10.433 15.788 11.684 1.00 4.04 C ATOM 732 O LYS A 48 11.628 15.597 11.455 1.00 74.51 O ATOM 733 CB LYS A 48 9.394 14.189 10.065 1.00 32.12 C ATOM 734 CG LYS A 48 8.747 13.200 11.020 1.00 21.33 C ATOM 735 CD LYS A 48 8.681 11.806 10.418 1.00 65.24 C ATOM 736 CE LYS A 48 7.900 10.851 11.307 1.00 55.25 C ATOM 737 NZ LYS A 48 8.080 9.432 10.890 1.00 34.55 N1+ ATOM 0 H LYS A 48 10.041 16.127 8.652 1.00 55.44 H new ATOM 0 HA LYS A 48 8.410 15.859 10.997 1.00 2.01 H new ATOM 0 HB2 LYS A 48 8.872 14.153 9.109 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.423 13.881 9.878 1.00 32.12 H new ATOM 0 HG2 LYS A 48 9.312 13.169 11.951 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.741 13.538 11.269 1.00 21.33 H new ATOM 0 HD2 LYS A 48 8.213 11.855 9.435 1.00 65.24 H new ATOM 0 HD3 LYS A 48 9.691 11.424 10.271 1.00 65.24 H new ATOM 0 HE2 LYS A 48 8.225 10.970 12.341 1.00 55.25 H new ATOM 0 HE3 LYS A 48 6.841 11.108 11.274 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 7.532 8.813 11.521 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 7.747 9.313 9.912 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 9.087 9.179 10.946 1.00 34.55 H new ATOM 751 N SER A 49 9.973 16.137 12.881 1.00 14.13 N ATOM 752 CA SER A 49 10.866 16.321 14.019 1.00 33.35 C ATOM 753 C SER A 49 10.969 15.042 14.843 1.00 3.20 C ATOM 754 O SER A 49 10.400 14.011 14.483 1.00 64.42 O ATOM 755 CB SER A 49 10.372 17.470 14.901 1.00 31.23 C ATOM 756 OG SER A 49 11.445 18.074 15.601 1.00 51.25 O ATOM 0 H SER A 49 8.987 16.298 13.088 1.00 14.13 H new ATOM 0 HA SER A 49 11.856 16.565 13.635 1.00 33.35 H new ATOM 0 HB2 SER A 49 9.870 18.216 14.284 1.00 31.23 H new ATOM 0 HB3 SER A 49 9.635 17.096 15.612 1.00 31.23 H new ATOM 0 HG SER A 49 11.103 18.806 16.156 1.00 51.25 H new ATOM 762 N HIS A 50 11.701 15.116 15.951 1.00 0.54 N ATOM 763 CA HIS A 50 11.880 13.964 16.827 1.00 22.21 C ATOM 764 C HIS A 50 10.602 13.671 17.608 1.00 65.22 C ATOM 765 O HIS A 50 10.375 12.544 18.045 1.00 14.41 O ATOM 766 CB HIS A 50 13.038 14.207 17.794 1.00 63.12 C ATOM 767 CG HIS A 50 14.387 13.980 17.183 1.00 21.12 C ATOM 768 ND1 HIS A 50 14.656 12.939 16.319 1.00 33.13 N ATOM 769 CD2 HIS A 50 15.545 14.669 17.314 1.00 30.03 C ATOM 770 CE1 HIS A 50 15.923 12.996 15.947 1.00 63.42 C ATOM 771 NE2 HIS A 50 16.484 14.037 16.536 1.00 44.14 N ATOM 0 H HIS A 50 12.179 15.961 16.263 1.00 0.54 H new ATOM 0 HA HIS A 50 12.111 13.099 16.206 1.00 22.21 H new ATOM 0 HB2 HIS A 50 12.983 15.231 18.163 1.00 63.12 H new ATOM 0 HB3 HIS A 50 12.924 13.551 18.657 1.00 63.12 H new ATOM 0 HD2 HIS A 50 15.701 15.551 17.918 1.00 30.03 H new ATOM 0 HE1 HIS A 50 16.416 12.308 15.276 1.00 63.42 H new ATOM 0 HE2 HIS A 50 17.457 14.325 16.430 1.00 44.14 H new ATOM 779 N ASN A 51 9.772 14.696 17.780 1.00 43.20 N ATOM 780 CA ASN A 51 8.518 14.548 18.509 1.00 41.32 C ATOM 781 C ASN A 51 7.340 14.428 17.547 1.00 42.34 C ATOM 782 O ASN A 51 6.564 13.475 17.616 1.00 61.52 O ATOM 783 CB ASN A 51 8.307 15.740 19.445 1.00 24.42 C ATOM 784 CG ASN A 51 8.630 17.063 18.780 1.00 75.52 C ATOM 785 OD1 ASN A 51 7.748 17.734 18.244 1.00 63.21 O ATOM 786 ND2 ASN A 51 9.902 17.446 18.812 1.00 63.41 N ATOM 0 H ASN A 51 9.946 15.636 17.425 1.00 43.20 H new ATOM 0 HA ASN A 51 8.575 13.634 19.100 1.00 41.32 H new ATOM 0 HB2 ASN A 51 7.272 15.751 19.786 1.00 24.42 H new ATOM 0 HB3 ASN A 51 8.933 15.619 20.329 1.00 24.42 H new ATOM 0 HD21 ASN A 51 10.180 18.328 18.381 1.00 63.41 H new ATOM 0 HD22 ASN A 51 10.600 16.858 19.267 1.00 63.41 H new ATOM 793 N ASP A 52 7.213 15.401 16.652 1.00 25.42 N ATOM 794 CA ASP A 52 6.131 15.403 15.674 1.00 63.14 C ATOM 795 C ASP A 52 6.528 16.185 14.425 1.00 70.31 C ATOM 796 O ASP A 52 7.669 16.629 14.296 1.00 74.35 O ATOM 797 CB ASP A 52 4.865 16.003 16.285 1.00 51.42 C ATOM 798 CG ASP A 52 4.485 15.344 17.596 1.00 61.33 C ATOM 799 OD1 ASP A 52 4.009 14.189 17.564 1.00 34.01 O ATOM 800 OD2 ASP A 52 4.667 15.981 18.655 1.00 71.33 O1- ATOM 0 H ASP A 52 7.845 16.198 16.583 1.00 25.42 H new ATOM 0 HA ASP A 52 5.933 14.371 15.386 1.00 63.14 H new ATOM 0 HB2 ASP A 52 5.015 17.070 16.448 1.00 51.42 H new ATOM 0 HB3 ASP A 52 4.041 15.901 15.579 1.00 51.42 H new ATOM 805 N PHE A 53 5.579 16.349 13.510 1.00 51.12 N ATOM 806 CA PHE A 53 5.830 17.076 12.270 1.00 12.33 C ATOM 807 C PHE A 53 5.729 18.582 12.493 1.00 22.10 C ATOM 808 O PHE A 53 4.907 19.050 13.281 1.00 32.20 O ATOM 809 CB PHE A 53 4.840 16.640 11.189 1.00 64.40 C ATOM 810 CG PHE A 53 5.132 15.280 10.621 1.00 61.34 C ATOM 811 CD1 PHE A 53 5.987 15.136 9.540 1.00 54.52 C ATOM 812 CD2 PHE A 53 4.551 14.148 11.167 1.00 54.43 C ATOM 813 CE1 PHE A 53 6.259 13.887 9.016 1.00 21.11 C ATOM 814 CE2 PHE A 53 4.818 12.896 10.646 1.00 14.33 C ATOM 815 CZ PHE A 53 5.673 12.765 9.569 1.00 53.35 C ATOM 0 H PHE A 53 4.629 15.989 13.603 1.00 51.12 H new ATOM 0 HA PHE A 53 6.842 16.843 11.940 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.834 16.642 11.608 1.00 64.40 H new ATOM 0 HB3 PHE A 53 4.851 17.372 10.381 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.446 16.010 9.102 1.00 54.52 H new ATOM 0 HD2 PHE A 53 3.882 14.244 12.009 1.00 54.43 H new ATOM 0 HE1 PHE A 53 6.929 13.788 8.175 1.00 21.11 H new ATOM 0 HE2 PHE A 53 4.358 12.021 11.081 1.00 14.33 H new ATOM 0 HZ PHE A 53 5.883 11.788 9.160 1.00 53.35 H new ATOM 825 N VAL A 54 6.570 19.336 11.793 1.00 33.42 N ATOM 826 CA VAL A 54 6.574 20.789 11.912 1.00 40.41 C ATOM 827 C VAL A 54 7.011 21.446 10.607 1.00 3.45 C ATOM 828 O VAL A 54 7.922 20.968 9.934 1.00 74.24 O ATOM 829 CB VAL A 54 7.507 21.256 13.046 1.00 62.34 C ATOM 830 CG1 VAL A 54 6.964 20.820 14.398 1.00 24.21 C ATOM 831 CG2 VAL A 54 8.915 20.722 12.831 1.00 4.44 C ATOM 0 H VAL A 54 7.258 18.965 11.137 1.00 33.42 H new ATOM 0 HA VAL A 54 5.553 21.091 12.143 1.00 40.41 H new ATOM 0 HB VAL A 54 7.550 22.345 13.032 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.636 21.159 15.186 1.00 24.21 H new ATOM 0 HG12 VAL A 54 5.977 21.255 14.551 1.00 24.21 H new ATOM 0 HG13 VAL A 54 6.890 19.733 14.427 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.561 21.061 13.641 1.00 4.44 H new ATOM 0 HG22 VAL A 54 8.893 19.632 12.817 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.302 21.089 11.880 1.00 4.44 H new ATOM 841 N ALA A 55 6.352 22.547 10.257 1.00 33.42 N ATOM 842 CA ALA A 55 6.673 23.272 9.034 1.00 64.34 C ATOM 843 C ALA A 55 6.803 24.768 9.301 1.00 43.12 C ATOM 844 O ALA A 55 6.105 25.319 10.153 1.00 20.33 O ATOM 845 CB ALA A 55 5.613 23.013 7.973 1.00 75.11 C ATOM 0 H ALA A 55 5.593 22.955 10.803 1.00 33.42 H new ATOM 0 HA ALA A 55 7.634 22.910 8.668 1.00 64.34 H new ATOM 0 HB1 ALA A 55 5.866 23.561 7.065 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.571 21.946 7.753 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.642 23.346 8.340 1.00 75.11 H new ATOM 851 N ILE A 56 7.702 25.418 8.570 1.00 4.32 N ATOM 852 CA ILE A 56 7.923 26.850 8.728 1.00 62.15 C ATOM 853 C ILE A 56 7.631 27.598 7.431 1.00 1.24 C ATOM 854 O ILE A 56 8.431 27.579 6.496 1.00 41.11 O ATOM 855 CB ILE A 56 9.368 27.152 9.166 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.682 26.443 10.486 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.578 28.652 9.301 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.205 25.035 10.306 1.00 22.53 C ATOM 0 H ILE A 56 8.289 24.976 7.863 1.00 4.32 H new ATOM 0 HA ILE A 56 7.238 27.191 9.504 1.00 62.15 H new ATOM 0 HB ILE A 56 10.050 26.777 8.403 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.419 27.028 11.037 1.00 12.24 H new ATOM 0 HG13 ILE A 56 8.779 26.411 11.096 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.604 28.849 9.611 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.390 29.134 8.341 1.00 20.32 H new ATOM 0 HG23 ILE A 56 8.890 29.050 10.047 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.406 24.594 11.282 1.00 22.53 H new ATOM 0 HD12 ILE A 56 9.461 24.435 9.783 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.126 25.061 9.723 1.00 22.53 H new ATOM 870 N LEU A 57 6.479 28.258 7.383 1.00 53.34 N ATOM 871 CA LEU A 57 6.080 29.015 6.202 1.00 41.32 C ATOM 872 C LEU A 57 6.599 30.448 6.272 1.00 4.44 C ATOM 873 O LEU A 57 7.132 30.875 7.296 1.00 25.01 O ATOM 874 CB LEU A 57 4.556 29.020 6.064 1.00 22.14 C ATOM 875 CG LEU A 57 3.878 27.649 6.078 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.381 27.797 6.307 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.149 26.907 4.778 1.00 54.43 C ATOM 0 H LEU A 57 5.805 28.284 8.148 1.00 53.34 H new ATOM 0 HA LEU A 57 6.516 28.531 5.328 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.139 29.618 6.875 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.297 29.522 5.132 1.00 22.14 H new ATOM 0 HG LEU A 57 4.295 27.067 6.899 1.00 14.52 H new ATOM 0 HD11 LEU A 57 1.915 26.812 6.314 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.206 28.288 7.264 1.00 62.22 H new ATOM 0 HD13 LEU A 57 1.948 28.398 5.507 1.00 62.22 H new ATOM 0 HD21 LEU A 57 3.659 25.934 4.806 1.00 54.43 H new ATOM 0 HD22 LEU A 57 3.759 27.486 3.941 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.223 26.769 4.655 1.00 54.43 H new ATOM 889 N ASP A 58 6.439 31.184 5.178 1.00 22.22 N ATOM 890 CA ASP A 58 6.889 32.570 5.117 1.00 23.10 C ATOM 891 C ASP A 58 5.746 33.494 4.708 1.00 53.11 C ATOM 892 O ASP A 58 5.369 33.553 3.537 1.00 71.11 O ATOM 893 CB ASP A 58 8.050 32.708 4.131 1.00 60.34 C ATOM 894 CG ASP A 58 9.284 33.313 4.772 1.00 4.33 C ATOM 895 OD1 ASP A 58 9.129 34.127 5.705 1.00 31.41 O ATOM 896 OD2 ASP A 58 10.404 32.970 4.339 1.00 64.40 O1- ATOM 0 H ASP A 58 6.001 30.844 4.322 1.00 22.22 H new ATOM 0 HA ASP A 58 7.230 32.860 6.111 1.00 23.10 H new ATOM 0 HB2 ASP A 58 8.298 31.727 3.726 1.00 60.34 H new ATOM 0 HB3 ASP A 58 7.738 33.329 3.291 1.00 60.34 H new ATOM 901 N LEU A 59 5.197 34.213 5.681 1.00 12.41 N ATOM 902 CA LEU A 59 4.096 35.135 5.423 1.00 61.11 C ATOM 903 C LEU A 59 4.412 36.526 5.964 1.00 53.10 C ATOM 904 O LEU A 59 5.211 36.693 6.886 1.00 43.12 O ATOM 905 CB LEU A 59 2.807 34.610 6.056 1.00 61.24 C ATOM 906 CG LEU A 59 2.686 33.089 6.169 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.377 32.707 6.843 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.789 32.442 4.794 1.00 1.12 C ATOM 0 H LEU A 59 5.496 34.175 6.655 1.00 12.41 H new ATOM 0 HA LEU A 59 3.961 35.207 4.344 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.716 35.037 7.055 1.00 61.24 H new ATOM 0 HB3 LEU A 59 1.963 34.979 5.473 1.00 61.24 H new ATOM 0 HG LEU A 59 3.508 32.722 6.784 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.308 31.622 6.915 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.343 33.140 7.843 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.541 33.086 6.255 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.701 31.360 4.893 1.00 1.12 H new ATOM 0 HD22 LEU A 59 1.988 32.814 4.156 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.752 32.688 4.347 1.00 1.12 H new ATOM 920 N PRO A 60 3.768 37.547 5.382 1.00 72.34 N ATOM 921 CA PRO A 60 3.962 38.942 5.792 1.00 43.15 C ATOM 922 C PRO A 60 3.373 39.228 7.169 1.00 50.24 C ATOM 923 O PRO A 60 4.069 39.144 8.181 1.00 44.12 O ATOM 924 CB PRO A 60 3.215 39.735 4.717 1.00 2.43 C ATOM 925 CG PRO A 60 2.186 38.791 4.196 1.00 40.55 C ATOM 926 CD PRO A 60 2.801 37.422 4.279 1.00 50.31 C ATOM 0 HA PRO A 60 5.018 39.199 5.875 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.755 40.631 5.134 1.00 2.43 H new ATOM 0 HB3 PRO A 60 3.890 40.062 3.926 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.272 38.845 4.787 1.00 40.55 H new ATOM 0 HG3 PRO A 60 1.916 39.036 3.169 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.052 36.657 4.486 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.290 37.144 3.345 1.00 50.31 H new ATOM 934 N GLU A 61 2.088 39.566 7.200 1.00 62.44 N ATOM 935 CA GLU A 61 1.407 39.866 8.454 1.00 50.50 C ATOM 936 C GLU A 61 -0.083 40.101 8.223 1.00 12.05 C ATOM 937 O GLU A 61 -0.475 40.771 7.269 1.00 32.42 O ATOM 938 CB GLU A 61 2.031 41.094 9.120 1.00 73.34 C ATOM 939 CG GLU A 61 1.785 41.166 10.617 1.00 52.41 C ATOM 940 CD GLU A 61 1.161 42.482 11.042 1.00 72.55 C ATOM 941 OE1 GLU A 61 1.516 43.524 10.451 1.00 43.41 O ATOM 942 OE2 GLU A 61 0.320 42.470 11.964 1.00 35.02 O1- ATOM 0 H GLU A 61 1.498 39.639 6.371 1.00 62.44 H new ATOM 0 HA GLU A 61 1.523 39.006 9.114 1.00 50.50 H new ATOM 0 HB2 GLU A 61 3.105 41.089 8.937 1.00 73.34 H new ATOM 0 HB3 GLU A 61 1.632 41.993 8.651 1.00 73.34 H new ATOM 0 HG2 GLU A 61 1.132 40.345 10.914 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.729 41.029 11.144 1.00 52.41 H new ATOM 949 N GLY A 62 -0.908 39.543 9.103 1.00 54.52 N ATOM 950 CA GLY A 62 -2.345 39.704 8.977 1.00 52.00 C ATOM 951 C GLY A 62 -3.092 38.398 9.167 1.00 61.55 C ATOM 952 O GLY A 62 -3.139 37.859 10.272 1.00 51.12 O ATOM 0 H GLY A 62 -0.608 38.983 9.901 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.693 40.429 9.713 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.577 40.112 7.993 1.00 52.00 H new ATOM 956 N GLU A 63 -3.680 37.892 8.087 1.00 53.44 N ATOM 957 CA GLU A 63 -4.431 36.643 8.143 1.00 52.42 C ATOM 958 C GLU A 63 -4.280 35.860 6.842 1.00 71.45 C ATOM 959 O GLU A 63 -4.397 36.447 5.767 1.00 35.41 O ATOM 960 CB GLU A 63 -5.911 36.925 8.412 1.00 13.45 C ATOM 961 CG GLU A 63 -6.805 35.708 8.231 1.00 1.11 C ATOM 962 CD GLU A 63 -7.738 35.842 7.044 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.719 36.609 7.145 1.00 35.44 O ATOM 964 OE2 GLU A 63 -7.489 35.181 6.014 1.00 62.20 O1- ATOM 0 H GLU A 63 -3.651 38.327 7.165 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.028 36.042 8.958 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.022 37.299 9.430 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.249 37.717 7.743 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -6.184 34.821 8.102 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -7.394 35.556 9.136 1.00 1.11 H new ATOM 971 N HIS A 64 -4.025 34.565 6.966 1.00 3.13 N ATOM 972 CA HIS A 64 -3.859 33.720 5.796 1.00 20.42 C ATOM 973 C HIS A 64 -4.502 32.355 6.055 1.00 42.53 C ATOM 974 O HIS A 64 -4.633 31.902 7.192 1.00 73.42 O ATOM 975 CB HIS A 64 -2.384 33.615 5.405 1.00 3.20 C ATOM 976 CG HIS A 64 -1.614 34.904 5.565 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.148 35.531 6.685 1.00 32.22 N flip ATOM 978 CD2 HIS A 64 -1.245 35.695 4.492 1.00 2.30 C flip ATOM 979 CE1 HIS A 64 -0.527 36.644 6.314 1.00 4.25 C flip ATOM 980 NE2 HIS A 64 -0.586 36.748 4.955 1.00 51.03 N flip ATOM 0 H HIS A 64 -3.929 34.081 7.859 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.369 34.169 4.944 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.911 32.843 6.013 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.316 33.289 4.367 1.00 3.20 H new ATOM 0 HD1 HIS A 64 -1.258 35.200 7.644 1.00 32.22 H new ATOM 0 HD2 HIS A 64 -1.458 35.490 3.453 1.00 2.30 H new ATOM 0 HE1 HIS A 64 -0.053 37.351 6.979 1.00 4.25 H new ATOM 988 N GLN A 65 -4.902 31.707 4.966 1.00 53.30 N ATOM 989 CA GLN A 65 -5.534 30.396 5.047 1.00 30.02 C ATOM 990 C GLN A 65 -4.517 29.286 4.805 1.00 12.33 C ATOM 991 O GLN A 65 -3.475 29.508 4.187 1.00 60.12 O ATOM 992 CB GLN A 65 -6.672 30.292 4.030 1.00 12.55 C ATOM 993 CG GLN A 65 -7.953 30.977 4.480 1.00 10.33 C ATOM 994 CD GLN A 65 -8.602 30.284 5.662 1.00 53.50 C ATOM 995 OE1 GLN A 65 -8.955 30.923 6.654 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.762 28.970 5.563 1.00 52.31 N ATOM 0 H GLN A 65 -4.800 32.068 4.018 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.941 30.278 6.051 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.347 30.731 3.087 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.881 29.240 3.837 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.733 32.011 4.746 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.657 31.004 3.648 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -8.455 28.481 4.722 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.192 28.450 6.328 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.826 28.090 5.294 1.00 44.22 N ATOM 1006 CA TYR A 66 -3.937 26.946 5.133 1.00 44.05 C ATOM 1007 C TYR A 66 -4.659 25.644 5.465 1.00 74.13 C ATOM 1008 O TYR A 66 -5.734 25.652 6.065 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.704 27.100 6.026 1.00 51.25 C ATOM 1010 CG TYR A 66 -2.961 26.757 7.477 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.743 27.581 8.277 1.00 60.42 C ATOM 1012 CD2 TYR A 66 -2.423 25.611 8.046 1.00 33.23 C ATOM 1013 CE1 TYR A 66 -3.980 27.272 9.603 1.00 74.14 C ATOM 1014 CE2 TYR A 66 -2.655 25.293 9.370 1.00 54.24 C ATOM 1015 CZ TYR A 66 -3.433 26.127 10.145 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.669 25.815 11.464 1.00 4.23 O ATOM 0 H TYR A 66 -5.685 27.888 5.805 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.620 26.910 4.091 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -1.908 26.460 5.646 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.345 28.127 5.962 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.173 28.478 7.856 1.00 60.42 H new ATOM 0 HD2 TYR A 66 -1.812 24.956 7.443 1.00 33.23 H new ATOM 0 HE1 TYR A 66 -4.590 27.923 10.212 1.00 74.14 H new ATOM 0 HE2 TYR A 66 -2.229 24.396 9.796 1.00 54.24 H new ATOM 0 HH TYR A 66 -4.114 24.944 11.519 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.060 24.525 5.070 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.643 23.213 5.327 1.00 53.24 C ATOM 1028 C LYS A 67 -3.555 22.157 5.485 1.00 15.33 C ATOM 1029 O LYS A 67 -2.389 22.400 5.176 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.588 22.821 4.188 1.00 51.31 C ATOM 1031 CG LYS A 67 -6.637 21.800 4.593 1.00 50.42 C ATOM 1032 CD LYS A 67 -7.724 21.670 3.539 1.00 54.14 C ATOM 1033 CE LYS A 67 -8.959 20.977 4.095 1.00 21.22 C ATOM 1034 NZ LYS A 67 -8.618 19.697 4.774 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.171 24.501 4.571 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.208 23.269 6.257 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -6.088 23.716 3.818 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -5.001 22.419 3.362 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -6.162 20.831 4.749 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -7.083 22.093 5.543 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -7.995 22.659 3.171 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -7.342 21.107 2.688 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -9.461 21.640 4.800 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -9.662 20.782 3.285 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -9.467 19.100 4.837 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -7.885 19.200 4.229 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -8.263 19.896 5.731 1.00 73.50 H new ATOM 1048 N PHE A 68 -3.945 20.980 5.966 1.00 0.43 N ATOM 1049 CA PHE A 68 -3.002 19.885 6.164 1.00 43.24 C ATOM 1050 C PHE A 68 -3.249 18.766 5.156 1.00 51.11 C ATOM 1051 O PHE A 68 -4.382 18.536 4.733 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.116 19.338 7.589 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.413 20.183 8.613 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.052 20.421 8.519 1.00 14.15 C ATOM 1055 CD2 PHE A 68 -3.115 20.739 9.671 1.00 41.10 C ATOM 1056 CE1 PHE A 68 -0.403 21.198 9.459 1.00 73.42 C ATOM 1057 CE2 PHE A 68 -2.472 21.517 10.614 1.00 25.24 C ATOM 1058 CZ PHE A 68 -1.114 21.746 10.510 1.00 11.45 C ATOM 0 H PHE A 68 -4.907 20.761 6.225 1.00 0.43 H new ATOM 0 HA PHE A 68 -1.995 20.273 6.010 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.170 19.259 7.856 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.704 18.329 7.617 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.491 19.994 7.701 1.00 14.15 H new ATOM 0 HD2 PHE A 68 -4.177 20.562 9.759 1.00 41.10 H new ATOM 0 HE1 PHE A 68 0.659 21.377 9.373 1.00 73.42 H new ATOM 0 HE2 PHE A 68 -3.031 21.946 11.432 1.00 25.24 H new ATOM 0 HZ PHE A 68 -0.609 22.352 11.248 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.180 18.074 4.777 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.278 16.980 3.818 1.00 72.31 C ATOM 1070 C PHE A 69 -1.480 15.769 4.291 1.00 34.23 C ATOM 1071 O PHE A 69 -0.250 15.757 4.224 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.778 17.431 2.444 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.450 16.729 1.301 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.832 16.704 1.202 1.00 61.42 C ATOM 1075 CD2 PHE A 69 -1.702 16.092 0.324 1.00 34.50 C ATOM 1076 CE1 PHE A 69 -4.455 16.059 0.150 1.00 54.41 C ATOM 1077 CE2 PHE A 69 -2.318 15.445 -0.731 1.00 50.31 C ATOM 1078 CZ PHE A 69 -3.697 15.428 -0.816 1.00 73.11 C ATOM 0 H PHE A 69 -1.236 18.251 5.119 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.326 16.693 3.738 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -1.936 18.505 2.344 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.703 17.260 2.383 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.430 17.194 1.956 1.00 61.42 H new ATOM 0 HD2 PHE A 69 -0.624 16.101 0.387 1.00 34.50 H new ATOM 0 HE1 PHE A 69 -5.533 16.049 0.084 1.00 54.41 H new ATOM 0 HE2 PHE A 69 -1.723 14.954 -1.487 1.00 50.31 H new ATOM 0 HZ PHE A 69 -4.182 14.921 -1.638 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.188 14.751 4.770 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.546 13.535 5.255 1.00 12.31 C ATOM 1090 C VAL A 70 -2.064 12.308 4.512 1.00 74.44 C ATOM 1091 O VAL A 70 -3.271 12.135 4.343 1.00 2.54 O ATOM 1092 CB VAL A 70 -1.776 13.341 6.765 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -0.914 12.206 7.295 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.492 14.634 7.516 1.00 33.01 C ATOM 0 H VAL A 70 -3.206 14.744 4.833 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.478 13.646 5.070 1.00 12.31 H new ATOM 0 HB VAL A 70 -2.821 13.076 6.926 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.090 12.084 8.364 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.170 11.282 6.777 1.00 42.23 H new ATOM 0 HG13 VAL A 70 0.137 12.438 7.125 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.659 14.480 8.582 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.456 14.931 7.350 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.157 15.418 7.154 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.143 11.458 4.070 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.506 10.245 3.347 1.00 43.14 C ATOM 1106 C ASP A 71 -2.440 10.565 2.183 1.00 50.35 C ATOM 1107 O ASP A 71 -3.427 9.867 1.956 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.171 9.242 4.291 1.00 2.43 C ATOM 1109 CG ASP A 71 -1.261 8.829 5.431 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -0.026 8.898 5.260 1.00 70.50 O ATOM 1111 OD2 ASP A 71 -1.785 8.438 6.494 1.00 33.12 O1- ATOM 0 H ASP A 71 -0.140 11.587 4.200 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.594 9.804 2.946 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -3.083 9.680 4.698 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -2.466 8.357 3.727 1.00 2.43 H new ATOM 1116 N GLY A 72 -2.122 11.628 1.450 1.00 50.22 N ATOM 1117 CA GLY A 72 -2.943 12.023 0.321 1.00 61.42 C ATOM 1118 C GLY A 72 -4.390 12.248 0.708 1.00 44.45 C ATOM 1119 O GLY A 72 -5.284 12.163 -0.135 1.00 1.33 O ATOM 0 H GLY A 72 -1.310 12.222 1.618 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.540 12.937 -0.115 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -2.891 11.253 -0.449 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.623 12.535 1.985 1.00 51.05 N ATOM 1124 CA GLN A 73 -5.974 12.771 2.481 1.00 43.53 C ATOM 1125 C GLN A 73 -6.108 14.182 3.041 1.00 15.15 C ATOM 1126 O GLN A 73 -5.114 14.885 3.227 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.330 11.744 3.558 1.00 0.22 C ATOM 1128 CG GLN A 73 -6.543 10.341 3.014 1.00 40.22 C ATOM 1129 CD GLN A 73 -7.225 9.426 4.012 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -8.325 8.931 3.767 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -6.574 9.196 5.146 1.00 65.41 N ATOM 0 H GLN A 73 -3.894 12.610 2.695 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.666 12.665 1.646 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.534 11.719 4.302 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.236 12.067 4.071 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -7.144 10.395 2.106 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -5.580 9.914 2.734 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -5.664 9.627 5.308 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -6.984 8.588 5.855 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.343 14.591 3.311 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.607 15.920 3.851 1.00 50.15 C ATOM 1142 C TRP A 74 -7.957 15.846 5.332 1.00 34.22 C ATOM 1143 O TRP A 74 -8.855 15.104 5.732 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.745 16.590 3.078 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.480 16.701 1.607 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.899 15.843 0.631 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.733 17.729 0.947 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.458 16.276 -0.596 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.742 17.430 -0.430 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -7.060 18.874 1.384 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -7.102 18.236 -1.370 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -6.426 19.671 0.450 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -6.451 19.350 -0.913 1.00 51.10 C ATOM 0 H TRP A 74 -8.177 14.022 3.165 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.701 16.516 3.741 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.663 16.023 3.233 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.914 17.587 3.486 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -9.490 14.955 0.799 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.636 15.812 -1.487 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -7.036 19.131 2.433 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -7.119 17.990 -2.422 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -5.902 20.557 0.777 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -5.946 19.994 -1.618 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.243 16.619 6.145 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.479 16.641 7.583 1.00 44.01 C ATOM 1166 C VAL A 75 -7.354 18.055 8.138 1.00 31.52 C ATOM 1167 O VAL A 75 -6.614 18.881 7.602 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.495 15.719 8.327 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -6.673 14.275 7.881 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.063 16.181 8.108 1.00 31.10 C ATOM 0 H VAL A 75 -6.496 17.238 5.831 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.495 16.280 7.743 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.711 15.773 9.394 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -5.969 13.639 8.418 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -7.691 13.951 8.095 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -6.486 14.199 6.810 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.381 15.518 8.641 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -4.832 16.159 7.043 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.947 17.198 8.483 1.00 31.10 H new ATOM 1180 N HIS A 76 -8.080 18.328 9.218 1.00 63.01 N ATOM 1181 CA HIS A 76 -8.048 19.642 9.849 1.00 74.30 C ATOM 1182 C HIS A 76 -7.412 19.566 11.233 1.00 62.21 C ATOM 1183 O HIS A 76 -7.226 18.480 11.783 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.462 20.214 9.956 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.278 19.593 11.046 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.475 19.973 12.331 1.00 13.43 N flip ATOM 1187 CD2 HIS A 76 -11.010 18.437 10.875 1.00 41.33 C flip ATOM 1188 CE1 HIS A 76 -11.314 19.050 12.905 1.00 11.05 C flip ATOM 1189 NE2 HIS A 76 -11.623 18.134 12.005 1.00 32.15 N flip ATOM 0 H HIS A 76 -8.697 17.656 9.674 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.443 20.301 9.227 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.398 21.288 10.128 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -9.975 20.074 9.004 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -11.072 17.868 9.959 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -11.664 19.070 13.926 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -12.231 17.330 12.157 1.00 32.15 H new ATOM 1197 N ASP A 77 -7.080 20.725 11.792 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.465 20.790 13.112 1.00 33.21 C ATOM 1199 C ASP A 77 -7.494 21.168 14.173 1.00 70.34 C ATOM 1200 O ASP A 77 -8.052 22.266 14.168 1.00 64.41 O ATOM 1201 CB ASP A 77 -5.316 21.800 13.114 1.00 62.43 C ATOM 1202 CG ASP A 77 -5.624 23.029 12.281 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -6.605 23.733 12.602 1.00 41.33 O ATOM 1204 OD2 ASP A 77 -4.885 23.286 11.308 1.00 44.05 O1- ATOM 0 H ASP A 77 -7.227 21.633 11.351 1.00 1.43 H new ATOM 0 HA ASP A 77 -6.070 19.803 13.351 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -5.105 22.103 14.139 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -4.415 21.321 12.731 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.753 20.238 15.104 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.717 20.452 16.188 1.00 45.12 C ATOM 1211 C PRO A 78 -8.228 21.476 17.206 1.00 52.21 C ATOM 1212 O PRO A 78 -9.023 22.195 17.810 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.835 19.069 16.835 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.546 18.393 16.520 1.00 2.41 C ATOM 1215 CD PRO A 78 -7.126 18.908 15.171 1.00 33.02 C ATOM 0 HA PRO A 78 -9.663 20.848 15.819 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -8.988 19.147 17.911 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.682 18.514 16.432 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.793 18.618 17.275 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.667 17.310 16.504 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -6.041 18.970 15.084 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.473 18.259 14.367 1.00 33.02 H new ATOM 1223 N SER A 79 -6.913 21.538 17.391 1.00 35.34 N ATOM 1224 CA SER A 79 -6.317 22.473 18.339 1.00 5.14 C ATOM 1225 C SER A 79 -6.368 23.899 17.801 1.00 2.34 C ATOM 1226 O SER A 79 -6.420 24.860 18.566 1.00 53.41 O ATOM 1227 CB SER A 79 -4.868 22.078 18.634 1.00 42.01 C ATOM 1228 OG SER A 79 -4.345 21.252 17.608 1.00 3.14 O ATOM 0 H SER A 79 -6.240 20.952 16.897 1.00 35.34 H new ATOM 0 HA SER A 79 -6.893 22.432 19.263 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.256 22.975 18.731 1.00 42.01 H new ATOM 0 HB3 SER A 79 -4.818 21.554 19.588 1.00 42.01 H new ATOM 0 HG SER A 79 -3.418 21.015 17.819 1.00 3.14 H new ATOM 1234 N GLU A 80 -6.353 24.026 16.477 1.00 34.21 N ATOM 1235 CA GLU A 80 -6.398 25.335 15.836 1.00 31.11 C ATOM 1236 C GLU A 80 -7.781 25.610 15.255 1.00 4.43 C ATOM 1237 O GLU A 80 -8.582 24.701 15.034 1.00 53.10 O ATOM 1238 CB GLU A 80 -5.343 25.422 14.731 1.00 21.12 C ATOM 1239 CG GLU A 80 -3.986 25.901 15.221 1.00 61.25 C ATOM 1240 CD GLU A 80 -4.064 27.233 15.941 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -3.947 28.279 15.267 1.00 23.05 O ATOM 1242 OE2 GLU A 80 -4.240 27.231 17.177 1.00 54.30 O1- ATOM 0 H GLU A 80 -6.310 23.240 15.829 1.00 34.21 H new ATOM 0 HA GLU A 80 -6.185 26.089 16.594 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -5.228 24.440 14.272 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.698 26.098 13.953 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -3.561 25.154 15.892 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -3.308 25.990 14.372 1.00 61.25 H new ATOM 1249 N PRO A 81 -8.072 26.895 15.002 1.00 71.34 N ATOM 1250 CA PRO A 81 -9.359 27.321 14.444 1.00 12.23 C ATOM 1251 C PRO A 81 -9.530 26.894 12.990 1.00 54.22 C ATOM 1252 O PRO A 81 -8.637 27.092 12.166 1.00 51.34 O ATOM 1253 CB PRO A 81 -9.305 28.846 14.550 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.851 29.175 14.546 1.00 44.41 C ATOM 1255 CD PRO A 81 -7.167 28.031 15.241 1.00 34.31 C ATOM 0 HA PRO A 81 -10.200 26.873 14.973 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.820 29.319 13.714 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.788 29.197 15.462 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -7.480 29.291 13.528 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -7.662 30.115 15.064 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -6.174 27.847 14.830 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -7.040 28.226 16.306 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.683 26.308 12.682 1.00 52.51 N ATOM 1264 CA VAL A 82 -10.972 25.855 11.327 1.00 44.45 C ATOM 1265 C VAL A 82 -12.066 26.701 10.686 1.00 64.55 C ATOM 1266 O VAL A 82 -12.915 27.265 11.377 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.404 24.377 11.309 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.355 23.505 11.982 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.758 24.210 11.982 1.00 72.14 C ATOM 0 H VAL A 82 -11.432 26.136 13.353 1.00 52.51 H new ATOM 0 HA VAL A 82 -10.051 25.963 10.754 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.497 24.057 10.271 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.678 22.464 11.959 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.407 23.602 11.453 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.227 23.823 13.017 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -13.048 23.160 11.960 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.694 24.548 13.016 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.503 24.803 11.452 1.00 72.14 H new ATOM 1279 N VAL A 83 -12.042 26.784 9.359 1.00 50.41 N ATOM 1280 CA VAL A 83 -13.033 27.561 8.623 1.00 1.01 C ATOM 1281 C VAL A 83 -13.885 26.661 7.734 1.00 10.44 C ATOM 1282 O VAL A 83 -13.637 25.460 7.628 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.365 28.642 7.753 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.370 29.448 8.573 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.688 28.011 6.546 1.00 11.55 C ATOM 0 H VAL A 83 -11.347 26.323 8.772 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.671 28.045 9.363 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.137 29.322 7.393 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -10.908 30.207 7.941 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -11.888 29.931 9.401 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.599 28.784 8.965 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.221 28.789 5.942 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.927 27.307 6.882 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.430 27.484 5.947 1.00 11.55 H new ATOM 1295 N THR A 84 -14.890 27.252 7.095 1.00 44.21 N ATOM 1296 CA THR A 84 -15.780 26.505 6.215 1.00 74.32 C ATOM 1297 C THR A 84 -15.892 27.175 4.850 1.00 53.33 C ATOM 1298 O THR A 84 -16.564 28.195 4.702 1.00 51.12 O ATOM 1299 CB THR A 84 -17.188 26.369 6.824 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.106 26.382 8.254 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.855 25.082 6.361 1.00 25.03 C ATOM 0 H THR A 84 -15.108 28.246 7.171 1.00 44.21 H new ATOM 0 HA THR A 84 -15.346 25.512 6.096 1.00 74.32 H new ATOM 0 HB THR A 84 -17.789 27.213 6.487 1.00 3.04 H new ATOM 0 HG1 THR A 84 -18.005 26.297 8.634 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.848 25.007 6.804 1.00 25.03 H new ATOM 0 HG22 THR A 84 -17.941 25.088 5.274 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.254 24.228 6.673 1.00 25.03 H new ATOM 1309 N SER A 85 -15.230 26.594 3.855 1.00 12.31 N ATOM 1310 CA SER A 85 -15.253 27.137 2.502 1.00 62.15 C ATOM 1311 C SER A 85 -16.640 26.993 1.882 1.00 62.25 C ATOM 1312 O SER A 85 -17.491 26.272 2.401 1.00 25.40 O ATOM 1313 CB SER A 85 -14.215 26.430 1.628 1.00 73.20 C ATOM 1314 OG SER A 85 -12.927 26.993 1.809 1.00 45.01 O ATOM 0 H SER A 85 -14.671 25.747 3.960 1.00 12.31 H new ATOM 0 HA SER A 85 -15.008 28.198 2.559 1.00 62.15 H new ATOM 0 HB2 SER A 85 -14.189 25.369 1.875 1.00 73.20 H new ATOM 0 HB3 SER A 85 -14.505 26.506 0.580 1.00 73.20 H new ATOM 0 HG SER A 85 -12.282 26.523 1.241 1.00 45.01 H new ATOM 1320 N GLN A 86 -16.858 27.686 0.769 1.00 54.44 N ATOM 1321 CA GLN A 86 -18.142 27.636 0.079 1.00 2.41 C ATOM 1322 C GLN A 86 -18.443 26.223 -0.410 1.00 50.10 C ATOM 1323 O GLN A 86 -19.602 25.854 -0.600 1.00 4.23 O ATOM 1324 CB GLN A 86 -18.149 28.609 -1.101 1.00 4.33 C ATOM 1325 CG GLN A 86 -18.217 30.070 -0.685 1.00 61.13 C ATOM 1326 CD GLN A 86 -19.412 30.368 0.200 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -19.259 30.798 1.344 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -20.609 30.141 -0.325 1.00 50.44 N ATOM 0 H GLN A 86 -16.164 28.288 0.326 1.00 54.44 H new ATOM 0 HA GLN A 86 -18.918 27.929 0.787 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -17.250 28.451 -1.697 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -19.000 28.383 -1.743 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -17.302 30.337 -0.156 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -18.264 30.696 -1.576 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -20.689 29.784 -1.277 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -21.449 30.323 0.224 1.00 50.44 H new ATOM 1337 N LEU A 87 -17.391 25.437 -0.614 1.00 53.55 N ATOM 1338 CA LEU A 87 -17.542 24.064 -1.081 1.00 32.15 C ATOM 1339 C LEU A 87 -18.003 23.150 0.050 1.00 71.20 C ATOM 1340 O LEU A 87 -18.456 22.031 -0.187 1.00 72.13 O ATOM 1341 CB LEU A 87 -16.220 23.552 -1.658 1.00 52.11 C ATOM 1342 CG LEU A 87 -16.323 22.386 -2.642 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -15.191 22.442 -3.655 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -16.313 21.058 -1.899 1.00 21.21 C ATOM 0 H LEU A 87 -16.425 25.727 -0.463 1.00 53.55 H new ATOM 0 HA LEU A 87 -18.301 24.055 -1.863 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -15.720 24.381 -2.159 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -15.579 23.247 -0.830 1.00 52.11 H new ATOM 0 HG LEU A 87 -17.268 22.471 -3.179 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -15.280 21.605 -4.347 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -15.245 23.379 -4.210 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -14.235 22.383 -3.135 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -16.387 20.240 -2.615 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -15.385 20.964 -1.335 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -17.160 21.018 -1.214 1.00 21.21 H new ATOM 1356 N GLY A 88 -17.886 23.637 1.282 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.297 22.852 2.432 1.00 24.33 C ATOM 1358 C GLY A 88 -17.147 22.082 3.049 1.00 1.42 C ATOM 1359 O GLY A 88 -17.360 21.136 3.808 1.00 3.52 O ATOM 0 H GLY A 88 -17.514 24.560 1.504 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -18.732 23.512 3.182 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.078 22.154 2.131 1.00 24.33 H new ATOM 1363 N THR A 89 -15.923 22.488 2.725 1.00 71.55 N ATOM 1364 CA THR A 89 -14.735 21.829 3.251 1.00 55.20 C ATOM 1365 C THR A 89 -14.203 22.554 4.482 1.00 10.24 C ATOM 1366 O THR A 89 -14.217 23.784 4.543 1.00 41.43 O ATOM 1367 CB THR A 89 -13.619 21.753 2.192 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.039 23.048 1.998 1.00 42.53 O ATOM 1369 CG2 THR A 89 -14.162 21.231 0.870 1.00 71.24 C ATOM 0 H THR A 89 -15.729 23.271 2.100 1.00 71.55 H new ATOM 0 HA THR A 89 -15.032 20.818 3.529 1.00 55.20 H new ATOM 0 HB THR A 89 -12.855 21.063 2.550 1.00 22.31 H new ATOM 0 HG1 THR A 89 -12.240 23.136 2.558 1.00 42.53 H new ATOM 0 HG21 THR A 89 -13.356 21.186 0.138 1.00 71.24 H new ATOM 0 HG22 THR A 89 -14.576 20.233 1.015 1.00 71.24 H new ATOM 0 HG23 THR A 89 -14.944 21.899 0.508 1.00 71.24 H new ATOM 1377 N ILE A 90 -13.735 21.785 5.459 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.196 22.356 6.688 1.00 62.33 C ATOM 1379 C ILE A 90 -11.699 22.611 6.566 1.00 55.32 C ATOM 1380 O ILE A 90 -10.897 21.678 6.576 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.452 21.435 7.896 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.946 21.131 8.027 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.922 22.073 9.171 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.787 22.352 8.323 1.00 10.43 C ATOM 0 H ILE A 90 -13.718 20.766 5.424 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.711 23.303 6.848 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.922 20.496 7.736 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.298 20.673 7.103 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -15.091 20.399 8.821 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -13.111 21.410 10.015 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.849 22.242 9.075 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.426 23.025 9.338 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.835 22.062 8.403 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.462 22.799 9.263 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.672 23.077 7.518 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.328 23.883 6.451 1.00 75.15 N ATOM 1397 CA ASN A 91 -9.924 24.261 6.327 1.00 52.40 C ATOM 1398 C ASN A 91 -9.406 24.858 7.632 1.00 14.34 C ATOM 1399 O ASN A 91 -10.110 24.878 8.641 1.00 44.21 O ATOM 1400 CB ASN A 91 -9.744 25.265 5.187 1.00 44.32 C ATOM 1401 CG ASN A 91 -10.083 24.669 3.833 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -10.373 23.479 3.722 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -10.046 25.499 2.797 1.00 51.12 N ATOM 0 H ASN A 91 -11.979 24.668 6.441 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.349 23.362 6.105 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -10.378 26.133 5.368 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -8.713 25.619 5.177 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -10.264 25.157 1.861 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -9.800 26.479 2.937 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.168 25.343 7.604 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.555 25.940 8.785 1.00 25.44 C ATOM 1412 C ASN A 92 -7.166 27.391 8.519 1.00 42.41 C ATOM 1413 O ASN A 92 -6.684 27.729 7.437 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.321 25.138 9.204 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.531 23.642 9.074 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -7.618 23.145 9.655 1.00 14.31 O flip ATOM 1417 ND2 ASN A 92 -5.728 22.942 8.458 1.00 64.12 N flip ATOM 0 H ASN A 92 -7.571 25.334 6.777 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.285 25.920 9.594 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.471 25.437 8.590 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -6.069 25.378 10.237 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -4.907 23.367 8.027 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -5.884 21.937 8.378 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.378 28.245 9.514 1.00 31.22 N ATOM 1425 CA LEU A 93 -7.049 29.661 9.390 1.00 13.40 C ATOM 1426 C LEU A 93 -5.901 30.037 10.321 1.00 33.45 C ATOM 1427 O LEU A 93 -5.909 29.694 11.503 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.277 30.520 9.703 1.00 61.04 C ATOM 1429 CG LEU A 93 -8.020 32.015 9.889 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.385 32.607 8.640 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.314 32.741 10.226 1.00 44.50 C ATOM 0 H LEU A 93 -7.776 27.982 10.416 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.735 29.847 8.363 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -8.999 30.393 8.896 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.742 30.136 10.611 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.327 32.144 10.720 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.209 33.672 8.791 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.437 32.107 8.442 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -8.053 32.466 7.790 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.112 33.804 10.355 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -10.030 32.603 9.416 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.729 32.336 11.149 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.916 30.747 9.781 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.763 31.173 10.564 1.00 23.02 C ATOM 1445 C ILE A 94 -3.570 32.683 10.481 1.00 33.42 C ATOM 1446 O ILE A 94 -3.832 33.298 9.447 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.473 30.474 10.091 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.285 30.920 10.946 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.217 30.773 8.622 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.300 29.808 11.237 1.00 55.11 C ATOM 0 H ILE A 94 -4.894 31.039 8.804 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.961 30.891 11.598 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.596 29.397 10.206 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.765 31.731 10.437 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.656 31.322 11.889 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.303 30.273 8.303 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -3.055 30.412 8.026 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.109 31.849 8.483 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.516 30.195 11.847 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.806 29.006 11.774 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.100 29.421 10.300 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.106 33.275 11.577 1.00 31.02 N ATOM 1463 CA HIS A 95 -2.875 34.715 11.629 1.00 3.12 C ATOM 1464 C HIS A 95 -1.409 35.019 11.919 1.00 23.15 C ATOM 1465 O HIS A 95 -0.749 34.294 12.664 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.762 35.357 12.695 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.228 35.235 12.409 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.200 35.419 13.369 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -5.884 34.944 11.262 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.391 35.247 12.825 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.227 34.958 11.547 1.00 25.13 N ATOM 0 H HIS A 95 -2.883 32.781 12.441 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.129 35.135 10.656 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.549 34.895 13.659 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.504 36.412 12.783 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.026 35.652 14.347 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.435 34.739 10.301 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.338 35.329 13.338 1.00 35.13 H new ATOM 1479 N VAL A 96 -0.904 36.096 11.326 1.00 71.41 N ATOM 1480 CA VAL A 96 0.484 36.497 11.521 1.00 30.12 C ATOM 1481 C VAL A 96 0.573 37.887 12.142 1.00 32.13 C ATOM 1482 O VAL A 96 -0.235 38.765 11.843 1.00 62.43 O ATOM 1483 CB VAL A 96 1.263 36.489 10.193 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.698 36.941 10.412 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.222 35.106 9.559 1.00 60.41 C ATOM 0 H VAL A 96 -1.436 36.707 10.706 1.00 71.41 H new ATOM 0 HA VAL A 96 0.931 35.770 12.199 1.00 30.12 H new ATOM 0 HB VAL A 96 0.787 37.192 9.509 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.232 36.929 9.462 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.703 37.953 10.818 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.189 36.266 11.113 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.778 35.119 8.621 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.672 34.381 10.237 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.187 34.826 9.364 1.00 60.41 H new ATOM 1495 N LYS A 97 1.562 38.079 13.008 1.00 13.43 N ATOM 1496 CA LYS A 97 1.760 39.363 13.671 1.00 32.32 C ATOM 1497 C LYS A 97 3.224 39.787 13.612 1.00 33.23 C ATOM 1498 O LYS A 97 4.126 38.951 13.686 1.00 53.25 O ATOM 1499 CB LYS A 97 1.299 39.284 15.129 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.051 38.610 15.305 1.00 24.53 C ATOM 1501 CD LYS A 97 0.095 37.110 15.498 1.00 41.45 C ATOM 1502 CE LYS A 97 -1.030 36.547 16.353 1.00 62.22 C ATOM 1503 NZ LYS A 97 -2.316 36.482 15.604 1.00 53.42 N1+ ATOM 0 H LYS A 97 2.239 37.362 13.267 1.00 13.43 H new ATOM 0 HA LYS A 97 1.163 40.109 13.147 1.00 32.32 H new ATOM 0 HB2 LYS A 97 2.045 38.740 15.708 1.00 23.44 H new ATOM 0 HB3 LYS A 97 1.249 40.292 15.540 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -0.564 39.040 16.165 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.673 38.806 14.432 1.00 24.53 H new ATOM 0 HD2 LYS A 97 0.098 36.615 14.527 1.00 41.45 H new ATOM 0 HD3 LYS A 97 1.054 36.894 15.968 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -0.760 35.549 16.698 1.00 62.22 H new ATOM 0 HE3 LYS A 97 -1.157 37.167 17.240 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -3.039 37.037 16.106 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -2.182 36.872 14.649 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -2.627 35.492 15.533 1.00 53.42 H new ATOM 1517 N LYS A 98 3.453 41.088 13.479 1.00 54.02 N ATOM 1518 CA LYS A 98 4.808 41.623 13.412 1.00 54.22 C ATOM 1519 C LYS A 98 5.526 41.453 14.747 1.00 33.52 C ATOM 1520 O LYS A 98 4.951 41.693 15.808 1.00 54.13 O ATOM 1521 CB LYS A 98 4.774 43.104 13.024 1.00 72.45 C ATOM 1522 CG LYS A 98 4.597 43.338 11.534 1.00 22.24 C ATOM 1523 CD LYS A 98 5.817 42.885 10.749 1.00 61.03 C ATOM 1524 CE LYS A 98 7.055 43.679 11.136 1.00 12.11 C ATOM 1525 NZ LYS A 98 8.214 43.364 10.256 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.718 41.792 13.415 1.00 54.02 H new ATOM 0 HA LYS A 98 5.355 41.066 12.651 1.00 54.22 H new ATOM 0 HB2 LYS A 98 3.960 43.593 13.559 1.00 72.45 H new ATOM 0 HB3 LYS A 98 5.700 43.578 13.350 1.00 72.45 H new ATOM 0 HG2 LYS A 98 3.717 42.800 11.182 1.00 22.24 H new ATOM 0 HG3 LYS A 98 4.418 44.397 11.350 1.00 22.24 H new ATOM 0 HD2 LYS A 98 5.993 41.824 10.928 1.00 61.03 H new ATOM 0 HD3 LYS A 98 5.628 43.001 9.682 1.00 61.03 H new ATOM 0 HE2 LYS A 98 6.835 44.745 11.079 1.00 12.11 H new ATOM 0 HE3 LYS A 98 7.316 43.462 12.172 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 9.038 43.925 10.552 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 8.441 42.352 10.329 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 7.974 43.595 9.271 1.00 62.45 H new