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 67 LYS NZ :NH3+ 137:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 91 ASN : amide:sc= 0.299 K(o=1.6,f=-8.6!) USER MOD Set 2.1: A 38 ASN :FLIP amide:sc=-0.00676 F(o=-0.11,f=0.87) USER MOD Set 2.2: A 42 THR OG1 : rot -53:sc= 0.873 USER MOD Set 3.1: A 39 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Set 3.2: A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -100:sc= -1.35 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 140:sc= -1.1 USER MOD Single : A 36 SER OG : rot -21:sc= 0.0675 USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= -0.156 (180deg=-0.77) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00594) USER MOD Single : A 49 SER OG : rot 180:sc= 0.00683 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.1) USER MOD Single : A 64 HIS :FLIP no HE2:sc= -0.675 F(o=-2,f=-0.68) USER MOD Single : A 65 GLN : amide:sc= -2.68 K(o=-2.7,f=-8.1!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.39 F(o=-1.3,f=-0.39) 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 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -1.99 X(o=-2,f=-2.2!) USER MOD Single : A 95 HIS : no HE2:sc= -2.58! C(o=-2.6!,f=-7.5!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 243 N ARG A 18 7.693 38.165 9.030 1.00 33.52 N ATOM 244 CA ARG A 18 7.620 37.287 10.191 1.00 13.22 C ATOM 245 C ARG A 18 7.114 35.902 9.796 1.00 32.13 C ATOM 246 O ARG A 18 5.941 35.712 9.475 1.00 45.04 O ATOM 247 CB ARG A 18 6.705 37.891 11.258 1.00 74.21 C ATOM 248 CG ARG A 18 6.959 37.352 12.655 1.00 51.14 C ATOM 249 CD ARG A 18 6.201 36.056 12.898 1.00 72.54 C ATOM 250 NE ARG A 18 5.019 36.261 13.732 1.00 24.34 N ATOM 251 CZ ARG A 18 5.059 36.326 15.059 1.00 34.35 C ATOM 252 NH1 ARG A 18 6.214 36.204 15.699 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 3.941 36.515 15.748 1.00 44.41 N ATOM 0 HA ARG A 18 8.625 37.184 10.600 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.836 38.973 11.266 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.667 37.697 10.986 1.00 74.21 H new ATOM 0 HG2 ARG A 18 8.027 37.181 12.792 1.00 51.14 H new ATOM 0 HG3 ARG A 18 6.658 38.095 13.393 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.900 35.627 11.942 1.00 72.54 H new ATOM 0 HD3 ARG A 18 6.862 35.334 13.377 1.00 72.54 H new ATOM 0 HE ARG A 18 4.114 36.360 13.271 1.00 24.34 H new ATOM 0 HH11 ARG A 18 7.076 36.060 15.173 1.00 13.44 H new ATOM 0 HH12 ARG A 18 6.241 36.254 16.717 1.00 13.44 H new ATOM 0 HH21 ARG A 18 3.051 36.610 15.259 1.00 44.41 H new ATOM 0 HH22 ARG A 18 3.972 36.565 16.766 1.00 44.41 H new ATOM 267 N PRO A 19 8.019 34.912 9.819 1.00 42.30 N ATOM 268 CA PRO A 19 7.687 33.529 9.466 1.00 72.54 C ATOM 269 C PRO A 19 6.789 32.865 10.504 1.00 40.44 C ATOM 270 O PRO A 19 6.833 33.204 11.687 1.00 14.01 O ATOM 271 CB PRO A 19 9.052 32.837 9.419 1.00 10.11 C ATOM 272 CG PRO A 19 9.918 33.649 10.319 1.00 63.22 C ATOM 273 CD PRO A 19 9.435 35.067 10.191 1.00 44.21 C ATOM 0 HA PRO A 19 7.131 33.470 8.530 1.00 72.54 H new ATOM 0 HB2 PRO A 19 8.984 31.804 9.760 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.449 32.812 8.404 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.842 33.303 11.350 1.00 63.22 H new ATOM 0 HG3 PRO A 19 10.966 33.566 10.031 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.547 35.616 11.126 1.00 44.21 H new ATOM 0 HD3 PRO A 19 9.993 35.615 9.431 1.00 44.21 H new ATOM 281 N THR A 20 5.974 31.915 10.055 1.00 65.22 N ATOM 282 CA THR A 20 5.065 31.204 10.946 1.00 1.42 C ATOM 283 C THR A 20 5.275 29.696 10.855 1.00 44.04 C ATOM 284 O THR A 20 5.202 29.113 9.773 1.00 14.52 O ATOM 285 CB THR A 20 3.595 31.526 10.621 1.00 74.14 C ATOM 286 OG1 THR A 20 3.373 32.939 10.706 1.00 14.13 O ATOM 287 CG2 THR A 20 2.659 30.803 11.578 1.00 21.30 C ATOM 0 H THR A 20 5.925 31.620 9.080 1.00 65.22 H new ATOM 0 HA THR A 20 5.287 31.539 11.959 1.00 1.42 H new ATOM 0 HB THR A 20 3.387 31.186 9.607 1.00 74.14 H new ATOM 0 HG1 THR A 20 2.953 33.153 11.565 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.626 31.046 11.329 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.810 29.727 11.491 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.870 31.118 12.600 1.00 21.30 H new ATOM 295 N VAL A 21 5.535 29.070 11.998 1.00 72.24 N ATOM 296 CA VAL A 21 5.754 27.629 12.047 1.00 21.13 C ATOM 297 C VAL A 21 4.530 26.907 12.600 1.00 13.22 C ATOM 298 O VAL A 21 4.050 27.222 13.689 1.00 54.24 O ATOM 299 CB VAL A 21 6.979 27.276 12.913 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.818 27.835 14.318 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.188 25.770 12.949 1.00 62.22 C ATOM 0 H VAL A 21 5.599 29.538 12.902 1.00 72.24 H new ATOM 0 HA VAL A 21 5.936 27.301 11.024 1.00 21.13 H new ATOM 0 HB VAL A 21 7.863 27.732 12.466 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.692 27.576 14.915 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.720 28.920 14.269 1.00 41.02 H new ATOM 0 HG13 VAL A 21 5.926 27.411 14.778 1.00 41.02 H new ATOM 0 HG21 VAL A 21 8.057 25.538 13.565 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.305 25.290 13.372 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.352 25.401 11.936 1.00 62.22 H new ATOM 311 N ILE A 22 4.031 25.937 11.842 1.00 3.43 N ATOM 312 CA ILE A 22 2.863 25.168 12.256 1.00 12.44 C ATOM 313 C ILE A 22 3.242 23.728 12.585 1.00 32.43 C ATOM 314 O ILE A 22 3.998 23.091 11.850 1.00 24.12 O ATOM 315 CB ILE A 22 1.775 25.165 11.166 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.516 26.589 10.670 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.493 24.543 11.700 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.489 26.666 9.562 1.00 60.50 C ATOM 0 H ILE A 22 4.417 25.664 10.938 1.00 3.43 H new ATOM 0 HA ILE A 22 2.468 25.651 13.150 1.00 12.44 H new ATOM 0 HB ILE A 22 2.124 24.565 10.325 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.182 27.201 11.507 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.453 27.018 10.316 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.267 24.548 10.918 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.688 23.516 12.010 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.138 25.119 12.555 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.356 27.705 9.260 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.830 26.081 8.708 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.461 26.268 9.918 1.00 60.50 H new ATOM 330 N ARG A 23 2.710 23.220 13.692 1.00 11.32 N ATOM 331 CA ARG A 23 2.992 21.854 14.118 1.00 71.41 C ATOM 332 C ARG A 23 1.818 20.932 13.797 1.00 72.25 C ATOM 333 O ARG A 23 0.665 21.363 13.781 1.00 15.13 O ATOM 334 CB ARG A 23 3.290 21.816 15.617 1.00 10.01 C ATOM 335 CG ARG A 23 3.787 20.465 16.105 1.00 51.15 C ATOM 336 CD ARG A 23 4.089 20.487 17.596 1.00 13.14 C ATOM 337 NE ARG A 23 2.899 20.773 18.391 1.00 73.24 N ATOM 338 CZ ARG A 23 2.941 21.219 19.642 1.00 1.22 C ATOM 339 NH1 ARG A 23 4.108 21.428 20.235 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 1.814 21.457 20.301 1.00 60.42 N ATOM 0 H ARG A 23 2.082 23.733 14.310 1.00 11.32 H new ATOM 0 HA ARG A 23 3.868 21.503 13.572 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.038 22.574 15.850 1.00 10.01 H new ATOM 0 HB3 ARG A 23 2.386 22.081 16.165 1.00 10.01 H new ATOM 0 HG2 ARG A 23 3.036 19.703 15.896 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.686 20.186 15.555 1.00 51.15 H new ATOM 0 HD2 ARG A 23 4.503 19.524 17.896 1.00 13.14 H new ATOM 0 HD3 ARG A 23 4.851 21.239 17.800 1.00 13.14 H new ATOM 0 HE ARG A 23 1.985 20.622 17.963 1.00 73.24 H new ATOM 0 HH11 ARG A 23 4.976 21.246 19.731 1.00 61.23 H new ATOM 0 HH12 ARG A 23 4.138 21.770 21.195 1.00 61.23 H new ATOM 0 HH21 ARG A 23 0.914 21.298 19.847 1.00 60.42 H new ATOM 0 HH22 ARG A 23 1.847 21.799 21.261 1.00 60.42 H new ATOM 354 N TRP A 24 2.122 19.664 13.544 1.00 3.23 N ATOM 355 CA TRP A 24 1.091 18.682 13.224 1.00 15.23 C ATOM 356 C TRP A 24 1.302 17.396 14.016 1.00 63.45 C ATOM 357 O TRP A 24 2.405 16.850 14.049 1.00 54.01 O ATOM 358 CB TRP A 24 1.094 18.380 11.725 1.00 72.25 C ATOM 359 CG TRP A 24 0.216 17.224 11.351 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.615 15.949 11.069 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.209 17.241 11.215 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.477 15.172 10.767 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.608 15.940 10.850 1.00 15.10 C ATOM 364 CE3 TRP A 24 -2.188 18.226 11.369 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -2.941 15.603 10.636 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.511 17.890 11.156 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.879 16.588 10.793 1.00 33.23 C ATOM 0 H TRP A 24 3.072 19.292 13.554 1.00 3.23 H new ATOM 0 HA TRP A 24 0.124 19.102 13.500 1.00 15.23 H new ATOM 0 HB2 TRP A 24 0.766 19.267 11.182 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.115 18.170 11.406 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.638 15.603 11.082 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.450 14.183 10.521 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.915 19.233 11.650 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.226 14.600 10.356 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.275 18.644 11.271 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.922 16.357 10.634 1.00 33.23 H new ATOM 378 N SER A 25 0.237 16.917 14.652 1.00 32.42 N ATOM 379 CA SER A 25 0.307 15.696 15.446 1.00 61.31 C ATOM 380 C SER A 25 -0.837 14.750 15.091 1.00 1.43 C ATOM 381 O SER A 25 -2.000 15.034 15.374 1.00 0.20 O ATOM 382 CB SER A 25 0.264 16.030 16.938 1.00 74.14 C ATOM 383 OG SER A 25 0.371 14.857 17.727 1.00 11.02 O ATOM 0 H SER A 25 -0.684 17.356 14.633 1.00 32.42 H new ATOM 0 HA SER A 25 1.250 15.198 15.219 1.00 61.31 H new ATOM 0 HB2 SER A 25 1.077 16.713 17.184 1.00 74.14 H new ATOM 0 HB3 SER A 25 -0.668 16.545 17.172 1.00 74.14 H new ATOM 0 HG SER A 25 0.342 15.098 18.677 1.00 11.02 H new ATOM 389 N GLU A 26 -0.496 13.626 14.469 1.00 53.04 N ATOM 390 CA GLU A 26 -1.495 12.639 14.075 1.00 60.10 C ATOM 391 C GLU A 26 -0.883 11.243 14.009 1.00 74.23 C ATOM 392 O GLU A 26 -1.485 10.268 14.458 1.00 22.33 O ATOM 393 CB GLU A 26 -2.099 13.007 12.718 1.00 62.15 C ATOM 394 CG GLU A 26 -3.447 12.356 12.456 1.00 12.22 C ATOM 395 CD GLU A 26 -4.446 12.614 13.567 1.00 34.13 C ATOM 396 OE1 GLU A 26 -4.745 13.797 13.831 1.00 61.43 O ATOM 397 OE2 GLU A 26 -4.926 11.634 14.173 1.00 23.12 O1- ATOM 0 H GLU A 26 0.463 13.376 14.227 1.00 53.04 H new ATOM 0 HA GLU A 26 -2.283 12.637 14.828 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -2.210 14.090 12.661 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -1.405 12.716 11.930 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.851 12.731 11.515 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -3.310 11.281 12.338 1.00 12.22 H new ATOM 404 N GLY A 27 0.319 11.155 13.447 1.00 15.14 N ATOM 405 CA GLY A 27 0.992 9.874 13.332 1.00 4.13 C ATOM 406 C GLY A 27 1.096 9.401 11.896 1.00 73.25 C ATOM 407 O GLY A 27 0.904 8.220 11.608 1.00 40.05 O ATOM 0 H GLY A 27 0.838 11.948 13.069 1.00 15.14 H new ATOM 0 HA2 GLY A 27 1.992 9.953 13.759 1.00 4.13 H new ATOM 0 HA3 GLY A 27 0.453 9.130 13.918 1.00 4.13 H new ATOM 411 N GLY A 28 1.400 10.326 10.990 1.00 1.41 N ATOM 412 CA GLY A 28 1.524 9.977 9.587 1.00 61.23 C ATOM 413 C GLY A 28 2.968 9.859 9.142 1.00 31.04 C ATOM 414 O GLY A 28 3.885 10.191 9.893 1.00 11.20 O ATOM 0 H GLY A 28 1.562 11.310 11.203 1.00 1.41 H new ATOM 0 HA2 GLY A 28 1.013 9.032 9.405 1.00 61.23 H new ATOM 0 HA3 GLY A 28 1.022 10.732 8.983 1.00 61.23 H new ATOM 418 N LYS A 29 3.172 9.383 7.919 1.00 2.02 N ATOM 419 CA LYS A 29 4.514 9.220 7.374 1.00 70.24 C ATOM 420 C LYS A 29 4.887 10.401 6.483 1.00 44.33 C ATOM 421 O LYS A 29 6.047 10.807 6.427 1.00 44.34 O ATOM 422 CB LYS A 29 4.611 7.917 6.579 1.00 33.13 C ATOM 423 CG LYS A 29 3.529 7.767 5.523 1.00 54.20 C ATOM 424 CD LYS A 29 2.634 6.574 5.807 1.00 2.42 C ATOM 425 CE LYS A 29 3.182 5.303 5.175 1.00 32.15 C ATOM 426 NZ LYS A 29 2.337 4.117 5.490 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.423 9.103 7.285 1.00 2.02 H new ATOM 0 HA LYS A 29 5.214 9.181 8.208 1.00 70.24 H new ATOM 0 HB2 LYS A 29 5.587 7.867 6.097 1.00 33.13 H new ATOM 0 HB3 LYS A 29 4.553 7.075 7.269 1.00 33.13 H new ATOM 0 HG2 LYS A 29 2.926 8.675 5.487 1.00 54.20 H new ATOM 0 HG3 LYS A 29 3.990 7.652 4.542 1.00 54.20 H new ATOM 0 HD2 LYS A 29 2.542 6.435 6.884 1.00 2.42 H new ATOM 0 HD3 LYS A 29 1.633 6.770 5.424 1.00 2.42 H new ATOM 0 HE2 LYS A 29 3.240 5.431 4.094 1.00 32.15 H new ATOM 0 HE3 LYS A 29 4.198 5.130 5.530 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 2.744 3.272 5.041 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 2.302 3.979 6.520 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 1.374 4.271 5.129 1.00 31.05 H new ATOM 440 N GLU A 30 3.894 10.948 5.789 1.00 70.41 N ATOM 441 CA GLU A 30 4.119 12.083 4.901 1.00 31.12 C ATOM 442 C GLU A 30 3.097 13.187 5.159 1.00 62.13 C ATOM 443 O GLU A 30 1.895 12.991 4.974 1.00 50.04 O ATOM 444 CB GLU A 30 4.047 11.638 3.439 1.00 52.54 C ATOM 445 CG GLU A 30 5.129 10.645 3.052 1.00 64.11 C ATOM 446 CD GLU A 30 5.130 10.332 1.567 1.00 64.32 C ATOM 447 OE1 GLU A 30 4.257 10.863 0.850 1.00 41.54 O ATOM 448 OE2 GLU A 30 6.001 9.556 1.125 1.00 24.13 O1- ATOM 0 H GLU A 30 2.927 10.624 5.824 1.00 70.41 H new ATOM 0 HA GLU A 30 5.114 12.478 5.104 1.00 31.12 H new ATOM 0 HB2 GLU A 30 3.071 11.190 3.252 1.00 52.54 H new ATOM 0 HB3 GLU A 30 4.124 12.515 2.797 1.00 52.54 H new ATOM 0 HG2 GLU A 30 6.102 11.045 3.336 1.00 64.11 H new ATOM 0 HG3 GLU A 30 4.988 9.722 3.614 1.00 64.11 H new ATOM 455 N VAL A 31 3.582 14.347 5.587 1.00 74.14 N ATOM 456 CA VAL A 31 2.713 15.483 5.870 1.00 50.44 C ATOM 457 C VAL A 31 3.140 16.713 5.078 1.00 42.45 C ATOM 458 O VAL A 31 4.332 16.979 4.920 1.00 5.15 O ATOM 459 CB VAL A 31 2.710 15.827 7.372 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.648 16.872 7.678 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.495 14.574 8.205 1.00 3.42 C ATOM 0 H VAL A 31 4.574 14.526 5.746 1.00 74.14 H new ATOM 0 HA VAL A 31 1.706 15.194 5.569 1.00 50.44 H new ATOM 0 HB VAL A 31 3.682 16.245 7.634 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.661 17.102 8.743 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.854 17.778 7.108 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.667 16.485 7.402 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.496 14.836 9.263 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.538 14.123 7.944 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.297 13.863 8.007 1.00 3.42 H new ATOM 471 N PHE A 32 2.159 17.461 4.582 1.00 3.30 N ATOM 472 CA PHE A 32 2.434 18.664 3.805 1.00 33.30 C ATOM 473 C PHE A 32 1.466 19.784 4.178 1.00 0.43 C ATOM 474 O PHE A 32 0.525 19.576 4.944 1.00 64.31 O ATOM 475 CB PHE A 32 2.333 18.364 2.309 1.00 54.22 C ATOM 476 CG PHE A 32 3.101 17.143 1.888 1.00 44.23 C ATOM 477 CD1 PHE A 32 2.520 15.887 1.952 1.00 31.12 C ATOM 478 CD2 PHE A 32 4.404 17.252 1.430 1.00 61.04 C ATOM 479 CE1 PHE A 32 3.224 14.762 1.567 1.00 15.41 C ATOM 480 CE2 PHE A 32 5.114 16.131 1.043 1.00 62.11 C ATOM 481 CZ PHE A 32 4.523 14.884 1.111 1.00 40.11 C ATOM 0 H PHE A 32 1.168 17.255 4.704 1.00 3.30 H new ATOM 0 HA PHE A 32 3.448 18.992 4.035 1.00 33.30 H new ATOM 0 HB2 PHE A 32 1.284 18.233 2.043 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.699 19.224 1.749 1.00 54.22 H new ATOM 0 HD1 PHE A 32 1.505 15.786 2.307 1.00 31.12 H new ATOM 0 HD2 PHE A 32 4.871 18.224 1.375 1.00 61.04 H new ATOM 0 HE1 PHE A 32 2.760 13.788 1.622 1.00 15.41 H new ATOM 0 HE2 PHE A 32 6.129 16.230 0.688 1.00 62.11 H new ATOM 0 HZ PHE A 32 5.075 14.006 0.808 1.00 40.11 H new ATOM 491 N ILE A 33 1.704 20.970 3.628 1.00 13.34 N ATOM 492 CA ILE A 33 0.854 22.122 3.902 1.00 72.44 C ATOM 493 C ILE A 33 0.690 22.990 2.660 1.00 11.41 C ATOM 494 O ILE A 33 1.610 23.119 1.852 1.00 13.30 O ATOM 495 CB ILE A 33 1.424 22.983 5.045 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.485 24.153 5.348 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.812 23.492 4.683 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.688 24.750 6.724 1.00 0.14 C ATOM 0 H ILE A 33 2.478 21.158 2.991 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.119 21.733 4.202 1.00 72.44 H new ATOM 0 HB ILE A 33 1.506 22.365 5.939 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.632 24.930 4.598 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.547 23.813 5.257 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.202 24.099 5.500 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.477 22.645 4.511 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.753 24.097 3.778 1.00 11.24 H new ATOM 0 HD11 ILE A 33 -0.011 25.574 6.870 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.512 23.986 7.482 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.709 25.120 6.813 1.00 0.14 H new ATOM 510 N SER A 34 -0.489 23.588 2.514 1.00 74.21 N ATOM 511 CA SER A 34 -0.776 24.444 1.368 1.00 21.11 C ATOM 512 C SER A 34 -1.920 25.404 1.681 1.00 75.54 C ATOM 513 O SER A 34 -2.897 25.033 2.330 1.00 75.43 O ATOM 514 CB SER A 34 -1.127 23.594 0.145 1.00 25.35 C ATOM 515 OG SER A 34 -0.169 22.571 -0.056 1.00 52.43 O ATOM 0 H SER A 34 -1.260 23.495 3.175 1.00 74.21 H new ATOM 0 HA SER A 34 0.117 25.030 1.150 1.00 21.11 H new ATOM 0 HB2 SER A 34 -2.114 23.151 0.277 1.00 25.35 H new ATOM 0 HB3 SER A 34 -1.178 24.228 -0.740 1.00 25.35 H new ATOM 0 HG SER A 34 -0.624 21.745 -0.324 1.00 52.43 H new ATOM 521 N GLY A 35 -1.790 26.642 1.213 1.00 54.31 N ATOM 522 CA GLY A 35 -2.818 27.637 1.452 1.00 42.32 C ATOM 523 C GLY A 35 -2.734 28.802 0.485 1.00 45.21 C ATOM 524 O GLY A 35 -2.021 28.736 -0.516 1.00 21.03 O ATOM 0 H GLY A 35 -0.991 26.973 0.673 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.799 27.169 1.368 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.729 28.009 2.473 1.00 42.32 H new ATOM 528 N SER A 36 -3.464 29.871 0.785 1.00 75.24 N ATOM 529 CA SER A 36 -3.473 31.054 -0.068 1.00 34.33 C ATOM 530 C SER A 36 -2.097 31.712 -0.100 1.00 71.13 C ATOM 531 O SER A 36 -1.804 32.522 -0.978 1.00 4.31 O ATOM 532 CB SER A 36 -4.518 32.057 0.424 1.00 65.34 C ATOM 533 OG SER A 36 -4.574 33.193 -0.421 1.00 13.12 O ATOM 0 H SER A 36 -4.057 29.943 1.612 1.00 75.24 H new ATOM 0 HA SER A 36 -3.730 30.739 -1.079 1.00 34.33 H new ATOM 0 HB2 SER A 36 -5.497 31.579 0.460 1.00 65.34 H new ATOM 0 HB3 SER A 36 -4.277 32.368 1.441 1.00 65.34 H new ATOM 0 HG SER A 36 -3.737 33.267 -0.925 1.00 13.12 H new ATOM 539 N PHE A 37 -1.256 31.355 0.866 1.00 23.10 N ATOM 540 CA PHE A 37 0.089 31.911 0.950 1.00 11.12 C ATOM 541 C PHE A 37 0.981 31.348 -0.153 1.00 50.51 C ATOM 542 O PHE A 37 2.026 31.914 -0.470 1.00 73.12 O ATOM 543 CB PHE A 37 0.703 31.611 2.320 1.00 22.03 C ATOM 544 CG PHE A 37 0.856 30.142 2.599 1.00 62.52 C ATOM 545 CD1 PHE A 37 1.950 29.443 2.116 1.00 1.14 C ATOM 546 CD2 PHE A 37 -0.094 29.463 3.344 1.00 4.33 C ATOM 547 CE1 PHE A 37 2.094 28.092 2.371 1.00 24.12 C ATOM 548 CE2 PHE A 37 0.045 28.113 3.603 1.00 63.12 C ATOM 549 CZ PHE A 37 1.140 27.426 3.116 1.00 45.15 C ATOM 0 H PHE A 37 -1.482 30.684 1.600 1.00 23.10 H new ATOM 0 HA PHE A 37 0.017 32.991 0.819 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.681 32.089 2.384 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.079 32.057 3.095 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.699 29.959 1.534 1.00 1.14 H new ATOM 0 HD2 PHE A 37 -0.953 29.995 3.727 1.00 4.33 H new ATOM 0 HE1 PHE A 37 2.951 27.558 1.988 1.00 24.12 H new ATOM 0 HE2 PHE A 37 -0.702 27.595 4.186 1.00 63.12 H new ATOM 0 HZ PHE A 37 1.250 26.371 3.317 1.00 45.15 H new ATOM 559 N ASN A 38 0.559 30.229 -0.733 1.00 22.03 N ATOM 560 CA ASN A 38 1.319 29.588 -1.800 1.00 73.21 C ATOM 561 C ASN A 38 0.454 29.393 -3.041 1.00 65.12 C ATOM 562 O ASN A 38 0.792 28.610 -3.928 1.00 33.34 O ATOM 563 CB ASN A 38 1.864 28.238 -1.327 1.00 74.54 C ATOM 564 CG ASN A 38 3.218 27.919 -1.930 1.00 31.23 C ATOM 565 OD1 ASN A 38 3.215 27.441 -3.170 1.00 32.13 O flip ATOM 566 ND2 ASN A 38 4.254 28.098 -1.289 1.00 70.32 N flip ATOM 0 H ASN A 38 -0.305 29.748 -0.482 1.00 22.03 H new ATOM 0 HA ASN A 38 2.154 30.239 -2.059 1.00 73.21 H new ATOM 0 HB2 ASN A 38 1.945 28.243 -0.240 1.00 74.54 H new ATOM 0 HB3 ASN A 38 1.157 27.451 -1.591 1.00 74.54 H new ATOM 0 HD21 ASN A 38 4.209 28.467 -0.339 1.00 70.32 H new ATOM 0 HD22 ASN A 38 5.157 27.877 -1.708 1.00 70.32 H new ATOM 573 N ASN A 39 -0.663 30.111 -3.096 1.00 74.22 N ATOM 574 CA ASN A 39 -1.577 30.016 -4.229 1.00 43.44 C ATOM 575 C ASN A 39 -2.115 28.596 -4.379 1.00 54.22 C ATOM 576 O ASN A 39 -2.602 28.215 -5.442 1.00 61.41 O ATOM 577 CB ASN A 39 -0.870 30.444 -5.518 1.00 4.25 C ATOM 578 CG ASN A 39 -1.827 31.043 -6.530 1.00 33.23 C ATOM 579 OD1 ASN A 39 -2.401 32.109 -6.303 1.00 13.05 O ATOM 580 ND2 ASN A 39 -2.004 30.359 -7.655 1.00 32.44 N ATOM 0 H ASN A 39 -0.957 30.764 -2.370 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.417 30.685 -4.042 1.00 43.44 H new ATOM 0 HB2 ASN A 39 -0.095 31.172 -5.280 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.372 29.581 -5.960 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -2.636 30.713 -8.373 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -1.508 29.480 -7.801 1.00 32.44 H new ATOM 587 N TRP A 40 -2.022 27.819 -3.305 1.00 11.01 N ATOM 588 CA TRP A 40 -2.500 26.442 -3.315 1.00 32.51 C ATOM 589 C TRP A 40 -1.916 25.672 -4.495 1.00 23.40 C ATOM 590 O TRP A 40 -2.535 24.739 -5.007 1.00 14.41 O ATOM 591 CB TRP A 40 -4.028 26.410 -3.377 1.00 1.54 C ATOM 592 CG TRP A 40 -4.681 27.231 -2.306 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.923 28.575 -2.336 1.00 31.41 C ATOM 594 CD2 TRP A 40 -5.175 26.760 -1.047 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.538 28.968 -1.171 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.704 27.873 -0.365 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.224 25.507 -0.431 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.272 27.768 0.902 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -5.787 25.405 0.827 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.306 26.530 1.482 1.00 71.30 C ATOM 0 H TRP A 40 -1.620 28.120 -2.417 1.00 11.01 H new ATOM 0 HA TRP A 40 -2.171 25.963 -2.393 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.353 26.772 -4.352 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.367 25.378 -3.291 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.669 29.232 -3.154 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.824 29.920 -0.944 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -4.829 24.634 -0.929 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.672 28.634 1.409 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -5.828 24.442 1.314 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.741 26.417 2.464 1.00 71.30 H new ATOM 611 N SER A 41 -0.721 26.068 -4.923 1.00 74.51 N ATOM 612 CA SER A 41 -0.056 25.417 -6.046 1.00 24.05 C ATOM 613 C SER A 41 0.808 24.256 -5.565 1.00 42.45 C ATOM 614 O SER A 41 0.484 23.090 -5.793 1.00 72.12 O ATOM 615 CB SER A 41 0.804 26.426 -6.809 1.00 64.43 C ATOM 616 OG SER A 41 0.051 27.081 -7.816 1.00 75.12 O ATOM 0 H SER A 41 -0.194 26.837 -4.509 1.00 74.51 H new ATOM 0 HA SER A 41 -0.822 25.024 -6.714 1.00 24.05 H new ATOM 0 HB2 SER A 41 1.207 27.163 -6.115 1.00 64.43 H new ATOM 0 HB3 SER A 41 1.654 25.915 -7.261 1.00 64.43 H new ATOM 0 HG SER A 41 0.623 27.722 -8.288 1.00 75.12 H new ATOM 622 N THR A 42 1.911 24.583 -4.898 1.00 73.54 N ATOM 623 CA THR A 42 2.824 23.568 -4.387 1.00 45.04 C ATOM 624 C THR A 42 2.531 23.252 -2.925 1.00 34.20 C ATOM 625 O THR A 42 1.998 24.087 -2.192 1.00 34.44 O ATOM 626 CB THR A 42 4.292 24.015 -4.519 1.00 1.10 C ATOM 627 OG1 THR A 42 4.582 25.036 -3.557 1.00 15.30 O ATOM 628 CG2 THR A 42 4.576 24.536 -5.919 1.00 52.41 C ATOM 0 H THR A 42 2.193 25.543 -4.699 1.00 73.54 H new ATOM 0 HA THR A 42 2.669 22.672 -4.988 1.00 45.04 H new ATOM 0 HB THR A 42 4.929 23.150 -4.334 1.00 1.10 H new ATOM 0 HG1 THR A 42 3.927 25.760 -3.641 1.00 15.30 H new ATOM 0 HG21 THR A 42 5.619 24.846 -5.987 1.00 52.41 H new ATOM 0 HG22 THR A 42 4.383 23.748 -6.647 1.00 52.41 H new ATOM 0 HG23 THR A 42 3.930 25.389 -6.128 1.00 52.41 H new ATOM 636 N LYS A 43 2.880 22.042 -2.504 1.00 53.21 N ATOM 637 CA LYS A 43 2.657 21.615 -1.128 1.00 62.12 C ATOM 638 C LYS A 43 3.979 21.466 -0.383 1.00 0.51 C ATOM 639 O LYS A 43 4.725 20.512 -0.606 1.00 42.43 O ATOM 640 CB LYS A 43 1.893 20.289 -1.101 1.00 42.01 C ATOM 641 CG LYS A 43 2.414 19.266 -2.096 1.00 13.53 C ATOM 642 CD LYS A 43 2.236 17.847 -1.582 1.00 24.00 C ATOM 643 CE LYS A 43 0.834 17.327 -1.857 1.00 21.13 C ATOM 644 NZ LYS A 43 0.540 17.268 -3.315 1.00 63.23 N1+ ATOM 0 H LYS A 43 3.319 21.338 -3.097 1.00 53.21 H new ATOM 0 HA LYS A 43 2.063 22.381 -0.629 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.948 19.868 -0.097 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.840 20.482 -1.308 1.00 42.01 H new ATOM 0 HG2 LYS A 43 1.888 19.379 -3.044 1.00 13.53 H new ATOM 0 HG3 LYS A 43 3.470 19.453 -2.292 1.00 13.53 H new ATOM 0 HD2 LYS A 43 2.967 17.193 -2.056 1.00 24.00 H new ATOM 0 HD3 LYS A 43 2.432 17.820 -0.510 1.00 24.00 H new ATOM 0 HE2 LYS A 43 0.724 16.333 -1.424 1.00 21.13 H new ATOM 0 HE3 LYS A 43 0.105 17.971 -1.365 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 -0.182 16.542 -3.494 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 0.189 18.193 -3.636 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 1.408 17.028 -3.835 1.00 63.23 H new ATOM 658 N ILE A 44 4.263 22.414 0.504 1.00 50.11 N ATOM 659 CA ILE A 44 5.495 22.387 1.284 1.00 75.21 C ATOM 660 C ILE A 44 5.507 21.208 2.250 1.00 20.24 C ATOM 661 O ILE A 44 4.547 20.962 2.982 1.00 14.21 O ATOM 662 CB ILE A 44 5.685 23.691 2.081 1.00 5.22 C ATOM 663 CG1 ILE A 44 6.193 24.806 1.164 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.649 23.469 3.237 1.00 1.53 C ATOM 665 CD1 ILE A 44 5.086 25.636 0.553 1.00 74.32 C ATOM 0 H ILE A 44 3.657 23.210 0.701 1.00 50.11 H new ATOM 0 HA ILE A 44 6.316 22.281 0.575 1.00 75.21 H new ATOM 0 HB ILE A 44 4.721 23.993 2.490 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.855 25.459 1.732 1.00 22.10 H new ATOM 0 HG13 ILE A 44 6.789 24.365 0.365 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.773 24.399 3.791 1.00 1.53 H new ATOM 0 HG22 ILE A 44 6.250 22.702 3.901 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.615 23.146 2.848 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.519 26.407 -0.085 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.437 24.994 -0.043 1.00 74.32 H new ATOM 0 HD13 ILE A 44 4.504 26.106 1.346 1.00 74.32 H new ATOM 677 N PRO A 45 6.620 20.459 2.256 1.00 42.30 N ATOM 678 CA PRO A 45 6.786 19.294 3.130 1.00 74.53 C ATOM 679 C PRO A 45 6.923 19.684 4.597 1.00 40.33 C ATOM 680 O PRO A 45 7.695 20.580 4.942 1.00 40.12 O ATOM 681 CB PRO A 45 8.080 18.653 2.624 1.00 11.42 C ATOM 682 CG PRO A 45 8.836 19.771 1.995 1.00 55.22 C ATOM 683 CD PRO A 45 7.803 20.693 1.411 1.00 3.34 C ATOM 0 HA PRO A 45 5.922 18.630 3.093 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.645 18.203 3.441 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.874 17.860 1.905 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.450 20.290 2.731 1.00 55.22 H new ATOM 0 HG3 PRO A 45 9.510 19.400 1.222 1.00 55.22 H new ATOM 0 HD2 PRO A 45 8.125 21.734 1.450 1.00 3.34 H new ATOM 0 HD3 PRO A 45 7.602 20.460 0.365 1.00 3.34 H new ATOM 691 N LEU A 46 6.171 19.007 5.458 1.00 54.51 N ATOM 692 CA LEU A 46 6.209 19.283 6.890 1.00 11.22 C ATOM 693 C LEU A 46 7.409 18.605 7.543 1.00 63.13 C ATOM 694 O LEU A 46 7.423 17.388 7.725 1.00 34.03 O ATOM 695 CB LEU A 46 4.917 18.809 7.556 1.00 1.32 C ATOM 696 CG LEU A 46 4.043 19.899 8.178 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.278 20.651 7.099 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.082 19.297 9.194 1.00 1.43 C ATOM 0 H LEU A 46 5.527 18.263 5.189 1.00 54.51 H new ATOM 0 HA LEU A 46 6.305 20.360 7.025 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.324 18.275 6.813 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.175 18.090 8.334 1.00 1.32 H new ATOM 0 HG LEU A 46 4.691 20.606 8.695 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.662 21.422 7.561 1.00 13.04 H new ATOM 0 HD12 LEU A 46 3.983 21.114 6.409 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.640 19.955 6.553 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.468 20.087 9.627 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.440 18.568 8.700 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.649 18.805 9.984 1.00 1.43 H new ATOM 710 N ILE A 47 8.413 19.401 7.895 1.00 41.44 N ATOM 711 CA ILE A 47 9.615 18.878 8.532 1.00 1.41 C ATOM 712 C ILE A 47 9.269 18.050 9.764 1.00 65.02 C ATOM 713 O ILE A 47 8.789 18.580 10.768 1.00 61.11 O ATOM 714 CB ILE A 47 10.574 20.012 8.941 1.00 11.35 C ATOM 715 CG1 ILE A 47 10.871 20.916 7.742 1.00 2.10 C ATOM 716 CG2 ILE A 47 11.863 19.436 9.509 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.434 20.174 6.551 1.00 52.21 C ATOM 0 H ILE A 47 8.418 20.411 7.750 1.00 41.44 H new ATOM 0 HA ILE A 47 10.110 18.242 7.798 1.00 1.41 H new ATOM 0 HB ILE A 47 10.095 20.612 9.715 1.00 11.35 H new ATOM 0 HG12 ILE A 47 9.953 21.423 7.443 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.578 21.688 8.046 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.531 20.249 9.793 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.635 18.830 10.386 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.348 18.816 8.755 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.620 20.877 5.739 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.369 19.689 6.833 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.719 19.420 6.221 1.00 52.21 H new ATOM 729 N LYS A 48 9.518 16.748 9.684 1.00 55.44 N ATOM 730 CA LYS A 48 9.235 15.845 10.794 1.00 2.01 C ATOM 731 C LYS A 48 10.275 16.001 11.900 1.00 4.04 C ATOM 732 O LYS A 48 11.469 15.811 11.674 1.00 74.51 O ATOM 733 CB LYS A 48 9.210 14.395 10.306 1.00 32.12 C ATOM 734 CG LYS A 48 8.586 13.429 11.298 1.00 21.33 C ATOM 735 CD LYS A 48 8.454 12.034 10.710 1.00 65.24 C ATOM 736 CE LYS A 48 7.725 11.095 11.661 1.00 55.25 C ATOM 737 NZ LYS A 48 8.544 10.780 12.863 1.00 34.55 N1+ ATOM 0 H LYS A 48 9.915 16.294 8.862 1.00 55.44 H new ATOM 0 HA LYS A 48 8.256 16.103 11.199 1.00 2.01 H new ATOM 0 HB2 LYS A 48 8.658 14.346 9.368 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.230 14.075 10.093 1.00 32.12 H new ATOM 0 HG2 LYS A 48 9.196 13.388 12.200 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.603 13.795 11.594 1.00 21.33 H new ATOM 0 HD2 LYS A 48 7.915 12.086 9.764 1.00 65.24 H new ATOM 0 HD3 LYS A 48 9.444 11.635 10.491 1.00 65.24 H new ATOM 0 HE2 LYS A 48 6.784 11.550 11.971 1.00 55.25 H new ATOM 0 HE3 LYS A 48 7.475 10.171 11.139 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 8.027 10.112 13.470 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 9.445 10.354 12.567 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 8.732 11.654 13.394 1.00 34.55 H new ATOM 751 N SER A 49 9.810 16.348 13.096 1.00 14.13 N ATOM 752 CA SER A 49 10.700 16.533 14.237 1.00 33.35 C ATOM 753 C SER A 49 10.768 15.265 15.083 1.00 3.20 C ATOM 754 O SER A 49 10.171 14.244 14.742 1.00 64.42 O ATOM 755 CB SER A 49 10.226 17.708 15.095 1.00 31.23 C ATOM 756 OG SER A 49 11.314 18.314 15.773 1.00 51.25 O ATOM 0 H SER A 49 8.823 16.507 13.300 1.00 14.13 H new ATOM 0 HA SER A 49 11.698 16.750 13.857 1.00 33.35 H new ATOM 0 HB2 SER A 49 9.729 18.446 14.465 1.00 31.23 H new ATOM 0 HB3 SER A 49 9.490 17.360 15.820 1.00 31.23 H new ATOM 0 HG SER A 49 10.986 19.063 16.313 1.00 51.25 H new ATOM 762 N HIS A 50 11.501 15.338 16.191 1.00 0.54 N ATOM 763 CA HIS A 50 11.647 14.198 17.087 1.00 22.21 C ATOM 764 C HIS A 50 10.360 13.949 17.866 1.00 65.22 C ATOM 765 O HIS A 50 10.112 12.841 18.339 1.00 14.41 O ATOM 766 CB HIS A 50 12.807 14.429 18.056 1.00 63.12 C ATOM 767 CG HIS A 50 13.346 13.168 18.657 1.00 21.12 C ATOM 768 ND1 HIS A 50 13.049 12.759 19.940 1.00 33.13 N ATOM 769 CD2 HIS A 50 14.168 12.223 18.143 1.00 30.03 C ATOM 770 CE1 HIS A 50 13.666 11.617 20.189 1.00 63.42 C ATOM 771 NE2 HIS A 50 14.351 11.270 19.115 1.00 44.14 N ATOM 0 H HIS A 50 12.002 16.175 16.488 1.00 0.54 H new ATOM 0 HA HIS A 50 11.859 13.317 16.481 1.00 22.21 H new ATOM 0 HB2 HIS A 50 13.611 14.944 17.531 1.00 63.12 H new ATOM 0 HB3 HIS A 50 12.475 15.090 18.856 1.00 63.12 H new ATOM 0 HD2 HIS A 50 14.600 12.219 17.153 1.00 30.03 H new ATOM 0 HE1 HIS A 50 13.618 11.062 21.114 1.00 63.42 H new ATOM 0 HE2 HIS A 50 14.923 10.431 19.022 1.00 44.14 H new ATOM 779 N ASN A 51 9.542 14.989 17.997 1.00 43.20 N ATOM 780 CA ASN A 51 8.281 14.885 18.720 1.00 41.32 C ATOM 781 C ASN A 51 7.107 14.776 17.752 1.00 42.34 C ATOM 782 O ASN A 51 6.305 13.844 17.833 1.00 61.52 O ATOM 783 CB ASN A 51 8.091 16.097 19.634 1.00 24.42 C ATOM 784 CG ASN A 51 6.722 16.120 20.287 1.00 75.52 C ATOM 785 OD1 ASN A 51 6.107 15.075 20.502 1.00 63.21 O ATOM 786 ND2 ASN A 51 6.238 17.314 20.605 1.00 63.41 N ATOM 0 H ASN A 51 9.731 15.914 17.611 1.00 43.20 H new ATOM 0 HA ASN A 51 8.313 13.981 19.328 1.00 41.32 H new ATOM 0 HB2 ASN A 51 8.859 16.089 20.407 1.00 24.42 H new ATOM 0 HB3 ASN A 51 8.230 17.010 19.055 1.00 24.42 H new ATOM 0 HD21 ASN A 51 5.322 17.392 21.046 1.00 63.41 H new ATOM 0 HD22 ASN A 51 6.782 18.154 20.408 1.00 63.41 H new ATOM 793 N ASP A 52 7.011 15.733 16.836 1.00 25.42 N ATOM 794 CA ASP A 52 5.935 15.745 15.850 1.00 63.14 C ATOM 795 C ASP A 52 6.361 16.492 14.590 1.00 70.31 C ATOM 796 O ASP A 52 7.504 16.938 14.477 1.00 74.35 O ATOM 797 CB ASP A 52 4.680 16.390 16.441 1.00 51.42 C ATOM 798 CG ASP A 52 4.251 15.737 17.740 1.00 61.33 C ATOM 799 OD1 ASP A 52 3.802 14.573 17.699 1.00 71.33 O1- ATOM 800 OD2 ASP A 52 4.363 16.391 18.799 1.00 34.01 O ATOM 0 H ASP A 52 7.665 16.511 16.755 1.00 25.42 H new ATOM 0 HA ASP A 52 5.711 14.713 15.580 1.00 63.14 H new ATOM 0 HB2 ASP A 52 4.867 17.450 16.615 1.00 51.42 H new ATOM 0 HB3 ASP A 52 3.866 16.324 15.719 1.00 51.42 H new ATOM 805 N PHE A 53 5.436 16.625 13.646 1.00 51.12 N ATOM 806 CA PHE A 53 5.715 17.316 12.393 1.00 12.33 C ATOM 807 C PHE A 53 5.634 18.828 12.576 1.00 22.10 C ATOM 808 O PHE A 53 4.853 19.325 13.388 1.00 32.20 O ATOM 809 CB PHE A 53 4.733 16.868 11.309 1.00 64.40 C ATOM 810 CG PHE A 53 4.968 15.465 10.829 1.00 61.34 C ATOM 811 CD1 PHE A 53 5.850 15.212 9.790 1.00 54.52 C ATOM 812 CD2 PHE A 53 4.307 14.398 11.415 1.00 54.43 C ATOM 813 CE1 PHE A 53 6.069 13.921 9.347 1.00 21.11 C ATOM 814 CE2 PHE A 53 4.522 13.105 10.976 1.00 14.33 C ATOM 815 CZ PHE A 53 5.404 12.867 9.940 1.00 53.35 C ATOM 0 H PHE A 53 4.486 16.263 13.725 1.00 51.12 H new ATOM 0 HA PHE A 53 6.728 17.059 12.083 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.717 16.945 11.696 1.00 64.40 H new ATOM 0 HB3 PHE A 53 4.804 17.550 10.462 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.372 16.033 9.321 1.00 54.52 H new ATOM 0 HD2 PHE A 53 3.615 14.578 12.225 1.00 54.43 H new ATOM 0 HE1 PHE A 53 6.760 13.737 8.538 1.00 21.11 H new ATOM 0 HE2 PHE A 53 4.001 12.282 11.442 1.00 14.33 H new ATOM 0 HZ PHE A 53 5.573 11.858 9.595 1.00 53.35 H new ATOM 825 N VAL A 54 6.446 19.555 11.816 1.00 33.42 N ATOM 826 CA VAL A 54 6.467 21.011 11.892 1.00 40.41 C ATOM 827 C VAL A 54 6.901 21.626 10.567 1.00 3.45 C ATOM 828 O VAL A 54 7.873 21.182 9.955 1.00 74.24 O ATOM 829 CB VAL A 54 7.411 21.501 13.006 1.00 62.34 C ATOM 830 CG1 VAL A 54 6.794 21.256 14.376 1.00 24.21 C ATOM 831 CG2 VAL A 54 8.766 20.820 12.893 1.00 4.44 C ATOM 0 H VAL A 54 7.099 19.159 11.140 1.00 33.42 H new ATOM 0 HA VAL A 54 5.450 21.330 12.120 1.00 40.41 H new ATOM 0 HB VAL A 54 7.558 22.574 12.887 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.475 21.609 15.150 1.00 24.21 H new ATOM 0 HG12 VAL A 54 5.849 21.795 14.451 1.00 24.21 H new ATOM 0 HG13 VAL A 54 6.615 20.189 14.509 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.420 21.178 13.688 1.00 4.44 H new ATOM 0 HG22 VAL A 54 8.640 19.741 12.985 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.210 21.052 11.925 1.00 4.44 H new ATOM 841 N ALA A 55 6.175 22.648 10.128 1.00 33.42 N ATOM 842 CA ALA A 55 6.487 23.326 8.875 1.00 64.34 C ATOM 843 C ALA A 55 6.607 24.831 9.081 1.00 43.12 C ATOM 844 O ALA A 55 5.711 25.464 9.642 1.00 20.33 O ATOM 845 CB ALA A 55 5.425 23.017 7.830 1.00 75.11 C ATOM 0 H ALA A 55 5.366 23.025 10.621 1.00 33.42 H new ATOM 0 HA ALA A 55 7.449 22.957 8.520 1.00 64.34 H new ATOM 0 HB1 ALA A 55 5.670 23.529 6.900 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.390 21.942 7.654 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.453 23.358 8.187 1.00 75.11 H new ATOM 851 N ILE A 56 7.718 25.400 8.626 1.00 4.32 N ATOM 852 CA ILE A 56 7.955 26.832 8.760 1.00 62.15 C ATOM 853 C ILE A 56 7.586 27.572 7.479 1.00 1.24 C ATOM 854 O ILE A 56 8.344 27.570 6.508 1.00 41.11 O ATOM 855 CB ILE A 56 9.424 27.130 9.108 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.818 26.422 10.405 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.647 28.630 9.227 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.428 25.055 10.188 1.00 22.53 C ATOM 0 H ILE A 56 8.469 24.890 8.161 1.00 4.32 H new ATOM 0 HA ILE A 56 7.321 27.182 9.574 1.00 62.15 H new ATOM 0 HB ILE A 56 10.056 26.752 8.304 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.528 27.045 10.948 1.00 12.24 H new ATOM 0 HG13 ILE A 56 8.935 26.321 11.036 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.691 28.824 9.474 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.402 29.110 8.280 1.00 20.32 H new ATOM 0 HG23 ILE A 56 9.008 29.032 10.013 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.682 24.613 11.151 1.00 22.53 H new ATOM 0 HD12 ILE A 56 9.712 24.415 9.673 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.330 25.151 9.583 1.00 22.53 H new ATOM 870 N LEU A 57 6.418 28.206 7.482 1.00 53.34 N ATOM 871 CA LEU A 57 5.950 28.952 6.320 1.00 41.32 C ATOM 872 C LEU A 57 6.505 30.372 6.325 1.00 4.44 C ATOM 873 O LEU A 57 7.125 30.804 7.299 1.00 25.01 O ATOM 874 CB LEU A 57 4.420 28.991 6.297 1.00 22.14 C ATOM 875 CG LEU A 57 3.720 27.657 6.035 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.210 27.819 6.137 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.108 27.109 4.670 1.00 54.43 C ATOM 0 H LEU A 57 5.778 28.218 8.276 1.00 53.34 H new ATOM 0 HA LEU A 57 6.309 28.444 5.425 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.072 29.380 7.254 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.106 29.700 5.531 1.00 22.14 H new ATOM 0 HG LEU A 57 4.042 26.944 6.794 1.00 14.52 H new ATOM 0 HD11 LEU A 57 1.728 26.860 5.948 1.00 62.22 H new ATOM 0 HD12 LEU A 57 1.948 28.166 7.137 1.00 62.22 H new ATOM 0 HD13 LEU A 57 1.872 28.547 5.400 1.00 62.22 H new ATOM 0 HD21 LEU A 57 3.600 26.159 4.501 1.00 54.43 H new ATOM 0 HD22 LEU A 57 3.816 27.819 3.896 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.186 26.955 4.633 1.00 54.43 H new ATOM 889 N ASP A 58 6.278 31.096 5.235 1.00 22.22 N ATOM 890 CA ASP A 58 6.753 32.469 5.114 1.00 23.10 C ATOM 891 C ASP A 58 5.608 33.411 4.759 1.00 53.11 C ATOM 892 O ASP A 58 5.184 33.483 3.604 1.00 71.11 O ATOM 893 CB ASP A 58 7.853 32.560 4.055 1.00 60.34 C ATOM 894 CG ASP A 58 8.781 31.362 4.079 1.00 4.33 C ATOM 895 OD1 ASP A 58 8.484 30.366 3.386 1.00 31.41 O ATOM 896 OD2 ASP A 58 9.805 31.421 4.791 1.00 64.40 O1- ATOM 0 H ASP A 58 5.767 30.754 4.421 1.00 22.22 H new ATOM 0 HA ASP A 58 7.162 32.772 6.078 1.00 23.10 H new ATOM 0 HB2 ASP A 58 7.397 32.643 3.068 1.00 60.34 H new ATOM 0 HB3 ASP A 58 8.433 33.469 4.215 1.00 60.34 H new ATOM 901 N LEU A 59 5.109 34.132 5.757 1.00 12.41 N ATOM 902 CA LEU A 59 4.012 35.069 5.551 1.00 61.11 C ATOM 903 C LEU A 59 4.392 36.468 6.027 1.00 53.10 C ATOM 904 O LEU A 59 5.238 36.643 6.904 1.00 43.12 O ATOM 905 CB LEU A 59 2.759 34.591 6.289 1.00 61.24 C ATOM 906 CG LEU A 59 2.553 33.077 6.347 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.283 32.741 7.113 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.504 32.490 4.944 1.00 1.12 C ATOM 0 H LEU A 59 5.448 34.085 6.718 1.00 12.41 H new ATOM 0 HA LEU A 59 3.803 35.113 4.482 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.795 34.972 7.309 1.00 61.24 H new ATOM 0 HB3 LEU A 59 1.887 35.039 5.812 1.00 61.24 H new ATOM 0 HG LEU A 59 3.399 32.634 6.874 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.152 31.659 7.144 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.358 33.127 8.130 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.427 33.196 6.615 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.357 31.412 5.006 1.00 1.12 H new ATOM 0 HD22 LEU A 59 1.678 32.938 4.391 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.442 32.699 4.429 1.00 1.12 H new ATOM 920 N PRO A 60 3.753 37.488 5.437 1.00 72.34 N ATOM 921 CA PRO A 60 4.006 38.890 5.787 1.00 43.15 C ATOM 922 C PRO A 60 3.491 39.242 7.178 1.00 50.24 C ATOM 923 O PRO A 60 4.222 39.145 8.162 1.00 44.12 O ATOM 924 CB PRO A 60 3.235 39.667 4.717 1.00 2.43 C ATOM 925 CG PRO A 60 2.156 38.738 4.279 1.00 40.55 C ATOM 926 CD PRO A 60 2.733 37.353 4.384 1.00 50.31 C ATOM 0 HA PRO A 60 5.072 39.118 5.813 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.822 40.592 5.120 1.00 2.43 H new ATOM 0 HB3 PRO A 60 3.882 39.943 3.884 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.273 38.841 4.909 1.00 40.55 H new ATOM 0 HG3 PRO A 60 1.846 38.955 3.257 1.00 40.55 H new ATOM 0 HD2 PRO A 60 1.972 36.620 4.653 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.170 37.027 3.440 1.00 50.31 H new ATOM 934 N GLU A 61 2.228 39.650 7.250 1.00 62.44 N ATOM 935 CA GLU A 61 1.616 40.017 8.522 1.00 50.50 C ATOM 936 C GLU A 61 0.125 40.291 8.349 1.00 12.05 C ATOM 937 O GLU A 61 -0.268 41.300 7.764 1.00 32.42 O ATOM 938 CB GLU A 61 2.307 41.250 9.109 1.00 73.34 C ATOM 939 CG GLU A 61 3.308 40.922 10.204 1.00 52.41 C ATOM 940 CD GLU A 61 4.728 41.305 9.831 1.00 72.55 C ATOM 941 OE1 GLU A 61 4.900 42.299 9.095 1.00 35.02 O1- ATOM 942 OE2 GLU A 61 5.665 40.610 10.275 1.00 43.41 O ATOM 0 H GLU A 61 1.609 39.735 6.444 1.00 62.44 H new ATOM 0 HA GLU A 61 1.737 39.180 9.209 1.00 50.50 H new ATOM 0 HB2 GLU A 61 2.819 41.785 8.309 1.00 73.34 H new ATOM 0 HB3 GLU A 61 1.550 41.924 9.510 1.00 73.34 H new ATOM 0 HG2 GLU A 61 3.024 41.442 11.119 1.00 52.41 H new ATOM 0 HG3 GLU A 61 3.268 39.854 10.419 1.00 52.41 H new ATOM 949 N GLY A 62 -0.702 39.384 8.862 1.00 54.52 N ATOM 950 CA GLY A 62 -2.139 39.544 8.754 1.00 52.00 C ATOM 951 C GLY A 62 -2.883 38.232 8.909 1.00 61.55 C ATOM 952 O GLY A 62 -2.746 37.552 9.925 1.00 51.12 O ATOM 0 H GLY A 62 -0.401 38.541 9.351 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.482 40.244 9.516 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.381 39.983 7.786 1.00 52.00 H new ATOM 956 N GLU A 63 -3.672 37.878 7.900 1.00 53.44 N ATOM 957 CA GLU A 63 -4.441 36.640 7.932 1.00 52.42 C ATOM 958 C GLU A 63 -4.246 35.844 6.645 1.00 71.45 C ATOM 959 O GLU A 63 -4.304 36.425 5.563 1.00 35.41 O ATOM 960 CB GLU A 63 -5.928 36.942 8.137 1.00 13.45 C ATOM 961 CG GLU A 63 -6.840 35.779 7.784 1.00 1.11 C ATOM 962 CD GLU A 63 -8.227 35.924 8.378 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.382 36.702 9.342 1.00 62.20 O1- ATOM 964 OE2 GLU A 63 -9.159 35.259 7.878 1.00 35.44 O ATOM 0 H GLU A 63 -3.795 38.430 7.051 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.080 36.040 8.768 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.094 37.219 9.178 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.202 37.805 7.530 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -6.920 35.701 6.700 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.392 34.851 8.139 1.00 1.11 H new ATOM 971 N HIS A 64 -4.020 34.547 6.789 1.00 3.13 N ATOM 972 CA HIS A 64 -3.819 33.689 5.633 1.00 20.42 C ATOM 973 C HIS A 64 -4.447 32.319 5.895 1.00 42.53 C ATOM 974 O HIS A 64 -4.509 31.835 7.024 1.00 73.42 O ATOM 975 CB HIS A 64 -2.334 33.602 5.275 1.00 3.20 C ATOM 976 CG HIS A 64 -1.583 34.900 5.447 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.085 35.500 6.566 1.00 32.22 N flip ATOM 978 CD2 HIS A 64 -1.274 35.734 4.387 1.00 2.30 C flip ATOM 979 CE1 HIS A 64 -0.501 36.637 6.209 1.00 4.25 C flip ATOM 980 NE2 HIS A 64 -0.618 36.785 4.857 1.00 51.03 N flip ATOM 0 H HIS A 64 -3.972 34.069 7.689 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.319 34.118 4.765 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.865 32.838 5.896 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.239 33.274 4.240 1.00 3.20 H new ATOM 0 HD1 HIS A 64 -1.150 35.136 7.517 1.00 32.22 H new ATOM 0 HD2 HIS A 64 -1.525 35.558 3.351 1.00 2.30 H new ATOM 0 HE1 HIS A 64 -0.014 37.331 6.878 1.00 4.25 H new ATOM 988 N GLN A 65 -4.916 31.701 4.815 1.00 53.30 N ATOM 989 CA GLN A 65 -5.545 30.389 4.900 1.00 30.02 C ATOM 990 C GLN A 65 -4.534 29.282 4.620 1.00 12.33 C ATOM 991 O GLN A 65 -3.494 29.518 4.004 1.00 60.12 O ATOM 992 CB GLN A 65 -6.710 30.292 3.913 1.00 12.55 C ATOM 993 CG GLN A 65 -8.002 30.896 4.437 1.00 10.33 C ATOM 994 CD GLN A 65 -8.604 30.092 5.572 1.00 53.50 C ATOM 995 OE1 GLN A 65 -8.945 30.638 6.622 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.738 28.788 5.367 1.00 52.31 N ATOM 0 H GLN A 65 -4.872 32.088 3.872 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.926 30.262 5.914 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.433 30.795 2.986 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.882 29.244 3.668 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.811 31.913 4.779 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.723 30.964 3.623 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -8.442 28.378 4.481 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.137 28.196 6.095 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.845 28.073 5.076 1.00 44.22 N ATOM 1006 CA TYR A 66 -3.963 26.931 4.878 1.00 44.05 C ATOM 1007 C TYR A 66 -4.688 25.623 5.179 1.00 74.13 C ATOM 1008 O TYR A 66 -5.788 25.621 5.732 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.723 27.056 5.766 1.00 51.25 C ATOM 1010 CG TYR A 66 -2.972 26.678 7.209 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.716 27.501 8.044 1.00 33.23 C ATOM 1012 CD2 TYR A 66 -2.462 25.498 7.736 1.00 60.42 C ATOM 1013 CE1 TYR A 66 -3.946 27.161 9.364 1.00 54.24 C ATOM 1014 CE2 TYR A 66 -2.688 25.148 9.054 1.00 74.14 C ATOM 1015 CZ TYR A 66 -3.430 25.983 9.864 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.656 25.639 11.177 1.00 4.23 O ATOM 0 H TYR A 66 -5.702 27.860 5.586 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.654 26.921 3.833 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -1.933 26.422 5.364 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.359 28.083 5.726 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.122 28.423 7.655 1.00 33.23 H new ATOM 0 HD2 TYR A 66 -1.879 24.843 7.105 1.00 60.42 H new ATOM 0 HE1 TYR A 66 -4.526 27.813 10.000 1.00 54.24 H new ATOM 0 HE2 TYR A 66 -2.286 24.226 9.448 1.00 74.14 H new ATOM 0 HH TYR A 66 -3.225 24.780 11.369 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.062 24.509 4.814 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.645 23.193 5.045 1.00 53.24 C ATOM 1028 C LYS A 67 -3.556 22.146 5.262 1.00 15.33 C ATOM 1029 O LYS A 67 -2.387 22.380 4.955 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.528 22.788 3.862 1.00 51.31 C ATOM 1031 CG LYS A 67 -7.003 23.077 4.077 1.00 50.42 C ATOM 1032 CD LYS A 67 -7.780 21.809 4.390 1.00 54.14 C ATOM 1033 CE LYS A 67 -7.974 20.953 3.148 1.00 21.22 C ATOM 1034 NZ LYS A 67 -9.322 21.146 2.546 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.150 24.492 4.357 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.257 23.248 5.945 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -5.190 23.315 2.970 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -5.399 21.723 3.671 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -7.120 23.788 4.895 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -7.416 23.547 3.185 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -7.250 21.235 5.150 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -8.752 22.071 4.808 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -7.209 21.202 2.413 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -7.839 19.903 3.406 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -9.234 21.214 1.512 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -9.930 20.338 2.789 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -9.745 22.021 2.916 1.00 73.50 H new ATOM 1048 N PHE A 68 -3.949 20.992 5.790 1.00 0.43 N ATOM 1049 CA PHE A 68 -3.005 19.910 6.048 1.00 43.24 C ATOM 1050 C PHE A 68 -3.180 18.784 5.032 1.00 51.11 C ATOM 1051 O PHE A 68 -4.284 18.530 4.553 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.195 19.366 7.465 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.538 20.207 8.522 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.162 20.355 8.553 1.00 41.10 C ATOM 1055 CD2 PHE A 68 -3.299 20.851 9.485 1.00 14.15 C ATOM 1056 CE1 PHE A 68 -0.555 21.128 9.525 1.00 25.24 C ATOM 1057 CE2 PHE A 68 -2.699 21.626 10.460 1.00 73.42 C ATOM 1058 CZ PHE A 68 -1.325 21.765 10.479 1.00 11.45 C ATOM 0 H PHE A 68 -4.913 20.782 6.048 1.00 0.43 H new ATOM 0 HA PHE A 68 -1.996 20.310 5.952 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.262 19.295 7.679 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.792 18.354 7.514 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.555 19.861 7.809 1.00 41.10 H new ATOM 0 HD2 PHE A 68 -4.374 20.746 9.474 1.00 14.15 H new ATOM 0 HE1 PHE A 68 0.520 21.234 9.539 1.00 25.24 H new ATOM 0 HE2 PHE A 68 -3.303 22.122 11.205 1.00 73.42 H new ATOM 0 HZ PHE A 68 -0.853 22.371 11.239 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.079 18.113 4.708 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.108 17.016 3.748 1.00 72.31 C ATOM 1070 C PHE A 69 -1.361 15.799 4.289 1.00 34.23 C ATOM 1071 O PHE A 69 -0.131 15.778 4.323 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.492 17.456 2.418 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.068 16.745 1.226 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.436 16.730 1.007 1.00 34.50 C ATOM 1075 CD2 PHE A 69 -1.241 16.095 0.325 1.00 61.42 C ATOM 1076 CE1 PHE A 69 -3.968 16.076 -0.089 1.00 50.31 C ATOM 1077 CE2 PHE A 69 -1.767 15.440 -0.772 1.00 54.41 C ATOM 1078 CZ PHE A 69 -3.133 15.432 -0.980 1.00 73.11 C ATOM 0 H PHE A 69 -1.156 18.310 5.096 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.149 16.739 3.584 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -1.638 18.529 2.296 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.416 17.282 2.450 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.094 17.234 1.699 1.00 34.50 H new ATOM 0 HD2 PHE A 69 -0.172 16.100 0.482 1.00 61.42 H new ATOM 0 HE1 PHE A 69 -5.036 16.069 -0.248 1.00 50.31 H new ATOM 0 HE2 PHE A 69 -1.111 14.935 -1.466 1.00 54.41 H new ATOM 0 HZ PHE A 69 -3.547 14.923 -1.838 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.114 14.789 4.711 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.526 13.570 5.250 1.00 12.31 C ATOM 1090 C VAL A 70 -1.999 12.343 4.478 1.00 74.44 C ATOM 1091 O VAL A 70 -3.198 12.142 4.285 1.00 2.54 O ATOM 1092 CB VAL A 70 -1.872 13.389 6.740 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -1.180 12.158 7.304 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.492 14.633 7.529 1.00 33.01 C ATOM 0 H VAL A 70 -3.134 14.791 4.690 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.446 13.668 5.145 1.00 12.31 H new ATOM 0 HB VAL A 70 -2.948 13.243 6.830 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.437 12.047 8.358 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.506 11.274 6.756 1.00 42.23 H new ATOM 0 HG13 VAL A 70 -0.100 12.269 7.203 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.743 14.488 8.580 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.421 14.812 7.433 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.039 15.492 7.140 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.049 11.525 4.038 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.368 10.316 3.288 1.00 43.14 C ATOM 1106 C ASP A 71 -2.287 10.633 2.112 1.00 50.35 C ATOM 1107 O ASP A 71 -3.280 9.942 1.884 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.026 9.282 4.202 1.00 2.43 C ATOM 1109 CG ASP A 71 -1.128 8.868 5.351 1.00 3.42 C ATOM 1110 OD1 ASP A 71 0.000 8.402 5.082 1.00 33.12 O1- ATOM 1111 OD2 ASP A 71 -1.551 9.008 6.517 1.00 70.50 O ATOM 0 H ASP A 71 -0.052 11.677 4.188 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.438 9.904 2.898 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -2.954 9.692 4.600 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -2.292 8.401 3.617 1.00 2.43 H new ATOM 1116 N GLY A 72 -1.949 11.683 1.370 1.00 50.22 N ATOM 1117 CA GLY A 72 -2.755 12.073 0.228 1.00 61.42 C ATOM 1118 C GLY A 72 -4.203 12.325 0.598 1.00 44.45 C ATOM 1119 O GLY A 72 -5.091 12.245 -0.251 1.00 1.33 O ATOM 0 H GLY A 72 -1.132 12.270 1.539 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.335 12.975 -0.218 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -2.708 11.291 -0.530 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.442 12.629 1.871 1.00 51.05 N ATOM 1124 CA GLN A 73 -5.794 12.891 2.351 1.00 43.53 C ATOM 1125 C GLN A 73 -5.871 14.246 3.046 1.00 15.15 C ATOM 1126 O GLN A 73 -4.885 14.724 3.607 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.239 11.786 3.311 1.00 0.22 C ATOM 1128 CG GLN A 73 -6.854 10.584 2.612 1.00 40.22 C ATOM 1129 CD GLN A 73 -7.841 9.840 3.491 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -8.977 9.586 3.091 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -7.410 9.486 4.696 1.00 65.41 N ATOM 0 H GLN A 73 -3.718 12.700 2.586 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.462 12.906 1.490 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.380 11.456 3.895 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -6.964 12.197 4.014 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -7.359 10.915 1.705 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -6.061 9.902 2.305 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -6.460 9.717 4.986 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -8.029 8.983 5.331 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.048 14.860 3.005 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.254 16.161 3.630 1.00 50.15 C ATOM 1142 C TRP A 74 -7.738 16.004 5.068 1.00 34.22 C ATOM 1143 O TRP A 74 -8.666 15.243 5.340 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.263 16.983 2.826 1.00 44.15 C ATOM 1145 CG TRP A 74 -7.905 17.112 1.377 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.394 16.367 0.342 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -6.978 18.039 0.803 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -7.827 16.776 -0.841 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -6.955 17.801 -0.586 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -6.165 19.049 1.325 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -6.153 18.535 -1.454 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -5.369 19.777 0.462 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -5.368 19.517 -0.915 1.00 51.10 C ATOM 0 H TRP A 74 -7.874 14.478 2.545 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.298 16.685 3.643 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.246 16.520 2.910 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.341 17.978 3.264 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -9.120 15.573 0.439 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.024 16.380 -1.760 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -6.159 19.257 2.385 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -6.150 18.337 -2.516 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -4.737 20.560 0.855 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -4.735 20.104 -1.564 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.102 16.728 5.984 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.469 16.669 7.393 1.00 44.01 C ATOM 1166 C VAL A 75 -7.290 18.026 8.065 1.00 31.52 C ATOM 1167 O VAL A 75 -6.584 18.895 7.553 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.632 15.620 8.148 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -7.003 14.216 7.700 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.147 15.878 7.944 1.00 31.10 C ATOM 0 H VAL A 75 -6.331 17.362 5.775 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.520 16.382 7.434 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.850 15.705 9.213 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -6.401 13.489 8.245 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -8.059 14.037 7.902 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -6.816 14.114 6.631 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.570 15.128 8.484 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -4.911 15.822 6.881 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.895 16.870 8.320 1.00 31.10 H new ATOM 1180 N HIS A 76 -7.934 18.201 9.215 1.00 63.01 N ATOM 1181 CA HIS A 76 -7.844 19.453 9.958 1.00 74.30 C ATOM 1182 C HIS A 76 -7.290 19.214 11.359 1.00 62.21 C ATOM 1183 O HIS A 76 -7.339 18.097 11.875 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.219 20.116 10.048 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.129 19.476 11.050 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.376 19.784 12.346 1.00 13.43 N flip ATOM 1187 CD2 HIS A 76 -10.913 18.379 10.763 1.00 41.33 C flip ATOM 1188 CE1 HIS A 76 -11.296 18.877 12.811 1.00 11.05 C flip ATOM 1189 NE2 HIS A 76 -11.605 18.040 11.837 1.00 32.15 N flip ATOM 0 H HIS A 76 -8.523 17.492 9.652 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.163 20.116 9.425 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.090 21.167 10.306 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -9.693 20.085 9.067 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -10.955 17.875 9.809 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -11.702 18.852 13.812 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -12.265 17.265 11.902 1.00 32.15 H new ATOM 1197 N ASP A 77 -6.761 20.270 11.969 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.197 20.175 13.311 1.00 33.21 C ATOM 1199 C ASP A 77 -7.193 20.670 14.355 1.00 70.34 C ATOM 1200 O ASP A 77 -7.685 21.797 14.294 1.00 64.41 O ATOM 1201 CB ASP A 77 -4.902 20.983 13.400 1.00 62.43 C ATOM 1202 CG ASP A 77 -4.239 20.866 14.759 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -3.966 19.726 15.188 1.00 44.05 O1- ATOM 1204 OD2 ASP A 77 -3.995 21.914 15.391 1.00 41.33 O ATOM 0 H ASP A 77 -6.711 21.201 11.556 1.00 1.43 H new ATOM 0 HA ASP A 77 -5.977 19.127 13.513 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -4.210 20.641 12.631 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -5.116 22.031 13.192 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.499 19.808 15.336 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.439 20.135 16.412 1.00 45.12 C ATOM 1211 C PRO A 78 -7.881 21.181 17.371 1.00 52.21 C ATOM 1212 O PRO A 78 -8.631 21.842 18.089 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.632 18.798 17.132 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.388 18.030 16.847 1.00 2.41 C ATOM 1215 CD PRO A 78 -6.950 18.448 15.470 1.00 33.02 C ATOM 0 HA PRO A 78 -9.364 20.566 16.029 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -8.771 18.942 18.203 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.514 18.274 16.764 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.616 18.249 17.585 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.574 16.957 16.889 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -5.864 18.442 15.374 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.341 17.779 14.703 1.00 33.02 H new ATOM 1223 N SER A 79 -6.560 21.326 17.378 1.00 35.34 N ATOM 1224 CA SER A 79 -5.901 22.290 18.251 1.00 5.14 C ATOM 1225 C SER A 79 -5.900 23.681 17.623 1.00 2.34 C ATOM 1226 O SER A 79 -5.880 24.690 18.326 1.00 53.41 O ATOM 1227 CB SER A 79 -4.466 21.848 18.543 1.00 42.01 C ATOM 1228 OG SER A 79 -4.408 21.038 19.704 1.00 3.14 O ATOM 0 H SER A 79 -5.925 20.788 16.789 1.00 35.34 H new ATOM 0 HA SER A 79 -6.457 22.334 19.187 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.072 21.295 17.690 1.00 42.01 H new ATOM 0 HB3 SER A 79 -3.832 22.725 18.675 1.00 42.01 H new ATOM 0 HG SER A 79 -3.481 20.767 19.868 1.00 3.14 H new ATOM 1234 N GLU A 80 -5.920 23.722 16.294 1.00 34.21 N ATOM 1235 CA GLU A 80 -5.920 24.989 15.572 1.00 31.11 C ATOM 1236 C GLU A 80 -7.326 25.344 15.096 1.00 4.43 C ATOM 1237 O GLU A 80 -8.209 24.492 14.997 1.00 53.10 O ATOM 1238 CB GLU A 80 -4.968 24.918 14.376 1.00 21.12 C ATOM 1239 CG GLU A 80 -3.536 25.296 14.714 1.00 61.25 C ATOM 1240 CD GLU A 80 -3.428 26.673 15.340 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -3.517 26.768 16.582 1.00 23.05 O ATOM 1242 OE2 GLU A 80 -3.256 27.655 14.589 1.00 54.30 O1- ATOM 0 H GLU A 80 -5.936 22.895 15.697 1.00 34.21 H new ATOM 0 HA GLU A 80 -5.579 25.768 16.254 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -4.982 23.906 13.971 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.334 25.580 13.591 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -3.121 24.556 15.399 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -2.932 25.265 13.807 1.00 61.25 H new ATOM 1249 N PRO A 81 -7.540 26.634 14.795 1.00 71.34 N ATOM 1250 CA PRO A 81 -8.837 27.132 14.326 1.00 12.23 C ATOM 1251 C PRO A 81 -9.169 26.646 12.919 1.00 54.22 C ATOM 1252 O PRO A 81 -8.340 26.726 12.011 1.00 51.34 O ATOM 1253 CB PRO A 81 -8.658 28.652 14.339 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.190 28.863 14.191 1.00 44.41 C ATOM 1255 CD PRO A 81 -6.534 27.704 14.889 1.00 34.31 C ATOM 0 HA PRO A 81 -9.659 26.781 14.949 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.209 29.122 13.525 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.029 29.086 15.268 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -6.905 28.898 13.140 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -6.885 29.810 14.636 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -5.600 27.420 14.405 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -6.296 27.942 15.926 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.387 26.145 12.743 1.00 52.51 N ATOM 1264 CA VAL A 82 -10.829 25.648 11.446 1.00 44.45 C ATOM 1265 C VAL A 82 -11.945 26.517 10.875 1.00 64.55 C ATOM 1266 O VAL A 82 -12.761 27.065 11.618 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.325 24.193 11.541 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.261 23.306 12.170 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.623 24.124 12.330 1.00 72.14 C ATOM 0 H VAL A 82 -11.086 26.073 13.483 1.00 52.51 H new ATOM 0 HA VAL A 82 -9.966 25.687 10.782 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.519 23.827 10.533 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.629 22.282 12.229 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.358 23.332 11.560 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.032 23.667 13.173 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -12.959 23.089 12.387 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.458 24.508 13.337 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.384 24.726 11.832 1.00 72.14 H new ATOM 1279 N VAL A 83 -11.974 26.640 9.552 1.00 50.41 N ATOM 1280 CA VAL A 83 -12.991 27.442 8.881 1.00 1.01 C ATOM 1281 C VAL A 83 -13.884 26.573 8.004 1.00 10.44 C ATOM 1282 O VAL A 83 -13.650 25.373 7.853 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.354 28.545 8.015 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.380 29.373 8.838 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.662 27.938 6.805 1.00 11.55 C ATOM 0 H VAL A 83 -11.305 26.195 8.923 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.595 27.907 9.661 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.144 29.206 7.659 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -10.940 30.147 8.210 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -11.910 29.838 9.669 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.591 28.728 9.226 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.217 28.731 6.204 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.881 27.254 7.138 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.390 27.393 6.205 1.00 11.55 H new ATOM 1295 N THR A 84 -14.911 27.187 7.423 1.00 44.21 N ATOM 1296 CA THR A 84 -15.842 26.471 6.559 1.00 74.32 C ATOM 1297 C THR A 84 -16.057 27.214 5.247 1.00 53.33 C ATOM 1298 O THR A 84 -16.694 28.268 5.216 1.00 51.12 O ATOM 1299 CB THR A 84 -17.203 26.263 7.249 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.022 26.148 8.665 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.895 25.017 6.717 1.00 25.03 C ATOM 0 H THR A 84 -15.119 28.179 7.536 1.00 44.21 H new ATOM 0 HA THR A 84 -15.396 25.498 6.352 1.00 74.32 H new ATOM 0 HB THR A 84 -17.831 27.127 7.033 1.00 3.04 H new ATOM 0 HG1 THR A 84 -17.892 26.018 9.097 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.854 24.891 7.219 1.00 25.03 H new ATOM 0 HG22 THR A 84 -18.058 25.121 5.644 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.269 24.145 6.906 1.00 25.03 H new ATOM 1309 N SER A 85 -15.524 26.660 4.163 1.00 12.31 N ATOM 1310 CA SER A 85 -15.656 27.274 2.846 1.00 62.15 C ATOM 1311 C SER A 85 -17.101 27.213 2.362 1.00 62.25 C ATOM 1312 O SER A 85 -17.946 26.562 2.976 1.00 25.40 O ATOM 1313 CB SER A 85 -14.739 26.575 1.840 1.00 73.20 C ATOM 1314 OG SER A 85 -13.447 27.158 1.839 1.00 45.01 O ATOM 0 H SER A 85 -14.997 25.787 4.170 1.00 12.31 H new ATOM 0 HA SER A 85 -15.362 28.320 2.928 1.00 62.15 H new ATOM 0 HB2 SER A 85 -14.664 25.516 2.086 1.00 73.20 H new ATOM 0 HB3 SER A 85 -15.172 26.640 0.842 1.00 73.20 H new ATOM 0 HG SER A 85 -12.879 26.693 1.190 1.00 45.01 H new ATOM 1320 N GLN A 86 -17.378 27.897 1.256 1.00 54.44 N ATOM 1321 CA GLN A 86 -18.720 27.921 0.688 1.00 2.41 C ATOM 1322 C GLN A 86 -19.107 26.550 0.145 1.00 50.10 C ATOM 1323 O GLN A 86 -20.290 26.228 0.027 1.00 4.23 O ATOM 1324 CB GLN A 86 -18.807 28.967 -0.425 1.00 4.33 C ATOM 1325 CG GLN A 86 -18.756 30.400 0.081 1.00 61.13 C ATOM 1326 CD GLN A 86 -20.128 30.949 0.417 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -20.613 30.796 1.538 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -20.761 31.597 -0.554 1.00 50.44 N ATOM 0 H GLN A 86 -16.690 28.442 0.736 1.00 54.44 H new ATOM 0 HA GLN A 86 -19.418 28.186 1.482 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -17.987 28.809 -1.126 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -19.734 28.819 -0.980 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -18.123 30.446 0.967 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -18.291 31.032 -0.676 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -20.322 31.701 -1.469 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -21.686 31.991 -0.385 1.00 50.44 H new ATOM 1337 N LEU A 87 -18.102 25.746 -0.185 1.00 53.55 N ATOM 1338 CA LEU A 87 -18.337 24.407 -0.717 1.00 32.15 C ATOM 1339 C LEU A 87 -18.726 23.439 0.396 1.00 71.20 C ATOM 1340 O LEU A 87 -19.245 22.354 0.137 1.00 72.13 O ATOM 1341 CB LEU A 87 -17.088 23.897 -1.438 1.00 52.11 C ATOM 1342 CG LEU A 87 -17.328 22.900 -2.572 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -17.705 23.629 -3.852 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -16.096 22.035 -2.792 1.00 21.21 C ATOM 0 H LEU A 87 -17.118 25.997 -0.094 1.00 53.55 H new ATOM 0 HA LEU A 87 -19.161 24.465 -1.428 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -16.551 24.755 -1.843 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -16.434 23.429 -0.702 1.00 52.11 H new ATOM 0 HG LEU A 87 -18.157 22.251 -2.290 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -17.872 22.904 -4.648 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -18.616 24.204 -3.688 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -16.897 24.303 -4.138 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -16.285 21.332 -3.603 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -15.248 22.669 -3.052 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -15.870 21.484 -1.879 1.00 21.21 H new ATOM 1356 N GLY A 88 -18.475 23.842 1.639 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.807 23.000 2.773 1.00 24.33 C ATOM 1358 C GLY A 88 -17.635 22.155 3.230 1.00 1.42 C ATOM 1359 O GLY A 88 -17.812 21.167 3.944 1.00 3.52 O ATOM 0 H GLY A 88 -18.048 24.736 1.880 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -19.144 23.625 3.600 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.639 22.348 2.506 1.00 24.33 H new ATOM 1363 N THR A 89 -16.431 22.542 2.819 1.00 71.55 N ATOM 1364 CA THR A 89 -15.226 21.811 3.188 1.00 55.20 C ATOM 1365 C THR A 89 -14.494 22.501 4.332 1.00 10.24 C ATOM 1366 O THR A 89 -14.293 23.716 4.309 1.00 41.43 O ATOM 1367 CB THR A 89 -14.267 21.669 1.992 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.651 22.930 1.705 1.00 42.53 O ATOM 1369 CG2 THR A 89 -15.007 21.169 0.760 1.00 71.24 C ATOM 0 H THR A 89 -16.265 23.358 2.230 1.00 71.55 H new ATOM 0 HA THR A 89 -15.544 20.819 3.509 1.00 55.20 H new ATOM 0 HB THR A 89 -13.499 20.941 2.255 1.00 22.31 H new ATOM 0 HG1 THR A 89 -13.041 22.831 0.944 1.00 42.53 H new ATOM 0 HG21 THR A 89 -14.308 21.077 -0.072 1.00 71.24 H new ATOM 0 HG22 THR A 89 -15.450 20.196 0.972 1.00 71.24 H new ATOM 0 HG23 THR A 89 -15.794 21.876 0.496 1.00 71.24 H new ATOM 1377 N ILE A 90 -14.097 21.721 5.331 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.386 22.258 6.484 1.00 62.33 C ATOM 1379 C ILE A 90 -11.958 22.650 6.116 1.00 55.32 C ATOM 1380 O ILE A 90 -11.258 21.907 5.430 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.345 21.245 7.643 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.764 20.825 8.033 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.616 21.838 8.840 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.601 21.959 8.581 1.00 10.43 C ATOM 0 H ILE A 90 -14.256 20.714 5.365 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.933 23.144 6.806 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.801 20.360 7.312 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.263 20.405 7.159 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -14.707 20.033 8.779 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -12.596 21.110 9.651 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.595 22.092 8.555 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.134 22.737 9.173 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.594 21.588 8.836 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.125 22.364 9.474 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.689 22.743 7.829 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.533 23.820 6.579 1.00 75.15 N ATOM 1397 CA ASN A 91 -10.188 24.310 6.300 1.00 52.40 C ATOM 1398 C ASN A 91 -9.534 24.856 7.566 1.00 14.34 C ATOM 1399 O ASN A 91 -10.124 24.825 8.644 1.00 44.21 O ATOM 1400 CB ASN A 91 -10.232 25.400 5.226 1.00 44.32 C ATOM 1401 CG ASN A 91 -10.050 24.840 3.828 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -10.003 23.626 3.634 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -9.945 25.727 2.845 1.00 51.12 N ATOM 0 H ASN A 91 -12.100 24.447 7.149 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.592 23.473 5.936 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -11.186 25.925 5.283 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -9.452 26.134 5.425 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -9.820 25.410 1.884 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -9.989 26.725 3.052 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.310 25.354 7.424 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.574 25.906 8.557 1.00 25.44 C ATOM 1412 C ASN A 92 -7.207 27.366 8.307 1.00 42.41 C ATOM 1413 O ASN A 92 -6.839 27.743 7.194 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.308 25.088 8.817 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.555 23.594 8.720 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -5.765 22.860 8.127 1.00 14.31 O ATOM 1417 ND2 ASN A 92 -7.656 23.137 9.305 1.00 64.12 N ATOM 0 H ASN A 92 -7.807 25.387 6.537 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.217 25.856 9.436 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.540 25.374 8.098 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -5.922 25.326 9.808 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -7.875 22.141 9.273 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -8.283 23.782 9.786 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.310 28.183 9.350 1.00 31.22 N ATOM 1425 CA LEU A 93 -6.989 29.601 9.245 1.00 13.40 C ATOM 1426 C LEU A 93 -5.794 29.955 10.125 1.00 33.45 C ATOM 1427 O LEU A 93 -5.767 29.627 11.312 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.198 30.449 9.642 1.00 61.04 C ATOM 1429 CG LEU A 93 -7.951 31.952 9.772 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.370 32.511 8.482 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.240 32.675 10.135 1.00 44.50 C ATOM 0 H LEU A 93 -7.613 27.887 10.278 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.729 29.814 8.208 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -8.984 30.293 8.903 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.578 30.080 10.595 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.229 32.114 10.572 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.201 33.582 8.593 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.424 32.015 8.264 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -8.068 32.337 7.663 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.045 33.744 10.223 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -9.984 32.505 9.357 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.615 32.295 11.085 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.811 30.629 9.537 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.616 31.030 10.269 1.00 23.02 C ATOM 1445 C ILE A 94 -3.394 32.536 10.174 1.00 33.42 C ATOM 1446 O ILE A 94 -3.480 33.120 9.094 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.364 30.303 9.744 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.120 30.774 10.502 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.202 30.539 8.250 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.269 29.639 11.028 1.00 55.11 C ATOM 0 H ILE A 94 -4.819 30.909 8.556 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.776 30.753 11.311 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.485 29.233 9.911 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.515 31.395 9.842 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.429 31.403 11.337 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.313 30.019 7.894 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -3.079 30.160 7.725 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.098 31.607 8.060 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.595 30.045 11.554 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.858 29.030 11.714 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.070 29.022 10.196 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.105 33.159 11.312 1.00 31.02 N ATOM 1463 CA HIS A 95 -2.867 34.597 11.358 1.00 3.12 C ATOM 1464 C HIS A 95 -1.417 34.896 11.726 1.00 23.15 C ATOM 1465 O HIS A 95 -0.806 34.178 12.518 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.808 35.259 12.364 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.258 35.109 12.018 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.268 35.191 12.953 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -5.865 34.881 10.829 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.432 35.019 12.355 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.216 34.830 11.066 1.00 25.13 N ATOM 0 H HIS A 95 -3.030 32.690 12.215 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.063 35.005 10.366 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.632 34.830 13.350 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.567 36.320 12.431 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.136 35.358 13.951 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.377 34.762 9.873 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.398 35.031 12.838 1.00 35.13 H new ATOM 1479 N VAL A 96 -0.871 35.960 11.145 1.00 71.41 N ATOM 1480 CA VAL A 96 0.506 36.355 11.413 1.00 30.12 C ATOM 1481 C VAL A 96 0.567 37.727 12.076 1.00 32.13 C ATOM 1482 O VAL A 96 -0.231 38.613 11.768 1.00 62.43 O ATOM 1483 CB VAL A 96 1.343 36.385 10.120 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.765 36.835 10.414 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.335 35.019 9.450 1.00 60.41 C ATOM 0 H VAL A 96 -1.362 36.564 10.486 1.00 71.41 H new ATOM 0 HA VAL A 96 0.922 35.609 12.090 1.00 30.12 H new ATOM 0 HB VAL A 96 0.895 37.104 9.434 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.341 36.850 9.489 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.748 37.835 10.847 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.227 36.143 11.118 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.931 35.058 8.538 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.758 34.278 10.129 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.310 34.741 9.202 1.00 60.41 H new ATOM 1495 N LYS A 97 1.519 37.896 12.987 1.00 13.43 N ATOM 1496 CA LYS A 97 1.686 39.161 13.693 1.00 32.32 C ATOM 1497 C LYS A 97 3.140 39.621 13.647 1.00 33.23 C ATOM 1498 O LYS A 97 4.052 38.814 13.469 1.00 53.25 O ATOM 1499 CB LYS A 97 1.230 39.021 15.147 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.202 38.532 15.292 1.00 24.53 C ATOM 1501 CD LYS A 97 -0.544 38.229 16.740 1.00 41.45 C ATOM 1502 CE LYS A 97 -1.891 37.533 16.861 1.00 62.22 C ATOM 1503 NZ LYS A 97 -3.022 38.473 16.626 1.00 53.42 N1+ ATOM 0 H LYS A 97 2.187 37.173 13.254 1.00 13.43 H new ATOM 0 HA LYS A 97 1.070 39.910 13.196 1.00 32.32 H new ATOM 0 HB2 LYS A 97 1.895 38.328 15.662 1.00 23.44 H new ATOM 0 HB3 LYS A 97 1.327 39.986 15.644 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -0.886 39.288 14.906 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.344 37.636 14.688 1.00 24.53 H new ATOM 0 HD2 LYS A 97 0.232 37.599 17.174 1.00 41.45 H new ATOM 0 HD3 LYS A 97 -0.560 39.156 17.313 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -1.943 36.715 16.143 1.00 62.22 H new ATOM 0 HE3 LYS A 97 -1.985 37.092 17.854 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -3.923 37.962 16.717 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -2.987 39.240 17.327 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -2.947 38.874 15.669 1.00 53.42 H new ATOM 1517 N LYS A 98 3.348 40.923 13.811 1.00 54.02 N ATOM 1518 CA LYS A 98 4.691 41.492 13.792 1.00 54.22 C ATOM 1519 C LYS A 98 5.529 40.948 14.943 1.00 33.52 C ATOM 1520 O LYS A 98 5.095 40.950 16.095 1.00 54.13 O ATOM 1521 CB LYS A 98 4.621 43.019 13.874 1.00 72.45 C ATOM 1522 CG LYS A 98 3.980 43.665 12.659 1.00 22.24 C ATOM 1523 CD LYS A 98 4.982 43.853 11.532 1.00 61.03 C ATOM 1524 CE LYS A 98 5.877 45.058 11.779 1.00 12.11 C ATOM 1525 NZ LYS A 98 7.215 44.895 11.146 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.604 41.605 13.959 1.00 54.02 H new ATOM 0 HA LYS A 98 5.167 41.206 12.854 1.00 54.22 H new ATOM 0 HB2 LYS A 98 4.059 43.301 14.764 1.00 72.45 H new ATOM 0 HB3 LYS A 98 5.629 43.414 13.996 1.00 72.45 H new ATOM 0 HG2 LYS A 98 3.152 43.047 12.311 1.00 22.24 H new ATOM 0 HG3 LYS A 98 3.560 44.631 12.939 1.00 22.24 H new ATOM 0 HD2 LYS A 98 5.595 42.957 11.435 1.00 61.03 H new ATOM 0 HD3 LYS A 98 4.451 43.980 10.589 1.00 61.03 H new ATOM 0 HE2 LYS A 98 5.396 45.954 11.386 1.00 12.11 H new ATOM 0 HE3 LYS A 98 5.999 45.206 12.852 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 7.795 45.737 11.337 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 7.685 44.055 11.539 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 7.101 44.779 10.119 1.00 62.45 H new