USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 955 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 92 GLN : amide:sc= -2.71! C(o=-6.2!,f=-9.9!) USER MOD Set 1.2: B 87 HIS : no HD1:sc= -2.63 K(o=-6.2,f=-7.5!) USER MOD Set 1.3: B 90 ASN : amide:sc= -0.886 X(o=-6.2,f=-6.1) USER MOD Set 2.1: B 58 LYS NZ :NH3+ -95:sc= 1.9 (180deg=-0.00566) USER MOD Set 2.2: B 59 THR OG1 : rot 89:sc= 1.82 USER MOD Set 2.3: B 72 HIS : no HE2:sc= -0.862 K(o=2.9,f=-14!) USER MOD Set 3.1: A 87 HIS : no HD1:sc= -1.34 K(o=-2.2,f=-4.2!) USER MOD Set 3.2: A 90 ASN : amide:sc= -0.864 X(o=-2.2,f=-2.6) USER MOD Single : A 42 MET CE :methyl -163:sc= -0.0928 (180deg=-0.463) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 1.07 K(o=1.1,f=-0.17) USER MOD Single : A 53 SER OG : rot -86:sc= 1.29 USER MOD Single : A 55 SER OG : rot -96:sc= 1.06 USER MOD Single : A 56 GLN : amide:sc= 0.387 X(o=0.39,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 78:sc= 1.28 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= -0.0756 (180deg=-0.292) USER MOD Single : A 69 SER OG : rot 180:sc= 0.00661 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= -0.0447 K(o=-0.045,f=-0.93) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -152:sc= 1.27 (180deg=-0.649) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -169:sc= -2.7 (180deg=-3.41) USER MOD Single : A 84 THR OG1 : rot 93:sc= -0.362 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= 1.24 K(o=1.2,f=-0.099) USER MOD Single : B 53 SER OG : rot 75:sc= 1.26 USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 56 GLN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : B 66 LYS NZ :NH3+ -178:sc= 1.3 (180deg=1.23) USER MOD Single : B 67 LYS NZ :NH3+ -164:sc= -0.0275 (180deg=-0.275) USER MOD Single : B 69 SER OG : rot 180:sc= 0.0499 USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 73 SER OG : rot 180:sc= 0.0459 USER MOD Single : B 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 LYS NZ :NH3+ 148:sc= -0.466 (180deg=-1.26) USER MOD Single : B 83 MET CE :methyl 166:sc= -0.0896 (180deg=-0.434) USER MOD Single : B 84 THR OG1 : rot 97:sc= -0.372 USER MOD Single : B 86 LYS NZ :NH3+ 136:sc= 1.2 (180deg=-0.215) USER MOD Single : B 92 GLN : amide:sc= -0.515 K(o=-0.52,f=-3.9!) USER MOD Single : B 95 GLN : amide:sc= 0.513 K(o=0.51,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 268 N MET A 42 -18.319 4.389 10.622 1.00 0.00 N ATOM 269 CA MET A 42 -18.311 3.176 9.803 1.00 0.00 C ATOM 270 C MET A 42 -16.924 2.852 9.310 1.00 0.00 C ATOM 271 O MET A 42 -16.483 1.697 9.384 1.00 0.00 O ATOM 272 CB MET A 42 -19.269 3.304 8.623 1.00 0.00 C ATOM 273 CG MET A 42 -20.724 3.426 9.027 1.00 0.00 C ATOM 274 SD MET A 42 -21.368 1.964 9.877 1.00 0.00 S ATOM 275 CE MET A 42 -21.223 0.717 8.585 1.00 0.00 C ATOM 0 HA MET A 42 -18.648 2.357 10.438 1.00 0.00 H new ATOM 0 HB2 MET A 42 -18.991 4.178 8.034 1.00 0.00 H new ATOM 0 HB3 MET A 42 -19.153 2.434 7.977 1.00 0.00 H new ATOM 0 HG2 MET A 42 -20.840 4.294 9.677 1.00 0.00 H new ATOM 0 HG3 MET A 42 -21.325 3.612 8.137 1.00 0.00 H new ATOM 0 HE1 MET A 42 -21.843 -0.143 8.838 1.00 0.00 H new ATOM 0 HE2 MET A 42 -21.555 1.137 7.635 1.00 0.00 H new ATOM 0 HE3 MET A 42 -20.183 0.402 8.499 1.00 0.00 H new ATOM 285 N GLU A 43 -16.215 3.870 8.859 1.00 0.00 N ATOM 286 CA GLU A 43 -14.874 3.669 8.358 1.00 0.00 C ATOM 287 C GLU A 43 -13.895 3.418 9.485 1.00 0.00 C ATOM 288 O GLU A 43 -12.890 2.770 9.284 1.00 0.00 O ATOM 289 CB GLU A 43 -14.392 4.823 7.469 1.00 0.00 C ATOM 290 CG GLU A 43 -14.388 6.192 8.128 1.00 0.00 C ATOM 291 CD GLU A 43 -13.827 7.258 7.222 1.00 0.00 C ATOM 292 OE1 GLU A 43 -14.361 7.453 6.109 1.00 0.00 O ATOM 293 OE2 GLU A 43 -12.816 7.911 7.591 1.00 0.00 O ATOM 0 H GLU A 43 -16.544 4.835 8.830 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.915 2.779 7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.381 4.599 7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.025 4.866 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.405 6.459 8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.800 6.150 9.045 1.00 0.00 H new ATOM 300 N LYS A 44 -14.215 3.898 10.679 1.00 0.00 N ATOM 301 CA LYS A 44 -13.334 3.729 11.820 1.00 0.00 C ATOM 302 C LYS A 44 -13.425 2.306 12.324 1.00 0.00 C ATOM 303 O LYS A 44 -12.422 1.700 12.730 1.00 0.00 O ATOM 304 CB LYS A 44 -13.686 4.735 12.909 1.00 0.00 C ATOM 305 CG LYS A 44 -12.766 4.729 14.113 1.00 0.00 C ATOM 306 CD LYS A 44 -12.939 5.988 14.945 1.00 0.00 C ATOM 307 CE LYS A 44 -14.356 6.147 15.489 1.00 0.00 C ATOM 308 NZ LYS A 44 -14.529 7.410 16.245 1.00 0.00 N ATOM 0 H LYS A 44 -15.077 4.406 10.880 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.303 3.918 11.520 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.682 5.734 12.474 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.703 4.539 13.248 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.973 3.853 14.728 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.731 4.648 13.782 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.235 5.968 15.777 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.688 6.857 14.337 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.066 6.121 14.662 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.591 5.303 16.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.506 7.474 16.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.871 7.425 17.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.331 8.218 15.621 1.00 0.00 H new ATOM 322 N ARG A 45 -14.621 1.771 12.275 1.00 0.00 N ATOM 323 CA ARG A 45 -14.872 0.396 12.663 1.00 0.00 C ATOM 324 C ARG A 45 -14.237 -0.536 11.647 1.00 0.00 C ATOM 325 O ARG A 45 -13.558 -1.505 12.010 1.00 0.00 O ATOM 326 CB ARG A 45 -16.358 0.143 12.733 1.00 0.00 C ATOM 327 CG ARG A 45 -17.086 1.011 13.737 1.00 0.00 C ATOM 328 CD ARG A 45 -18.561 0.745 13.671 1.00 0.00 C ATOM 329 NE ARG A 45 -18.847 -0.655 14.022 1.00 0.00 N ATOM 330 CZ ARG A 45 -19.742 -1.445 13.431 1.00 0.00 C ATOM 331 NH1 ARG A 45 -20.575 -0.957 12.525 1.00 0.00 N ATOM 332 NH2 ARG A 45 -19.829 -2.714 13.798 1.00 0.00 N ATOM 0 H ARG A 45 -15.452 2.274 11.965 1.00 0.00 H new ATOM 0 HA ARG A 45 -14.438 0.213 13.646 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.791 0.307 11.746 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -16.526 -0.904 12.985 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -16.716 0.807 14.742 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.888 2.063 13.532 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -19.088 1.412 14.353 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -18.931 0.958 12.668 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.310 -1.058 14.790 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -20.534 0.031 12.275 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -21.257 -1.569 12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -19.214 -3.078 14.526 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -20.511 -3.328 13.352 1.00 0.00 H new ATOM 346 N ARG A 46 -14.434 -0.208 10.368 1.00 0.00 N ATOM 347 CA ARG A 46 -13.845 -0.954 9.270 1.00 0.00 C ATOM 348 C ARG A 46 -12.330 -0.940 9.409 1.00 0.00 C ATOM 349 O ARG A 46 -11.691 -1.973 9.324 1.00 0.00 O ATOM 350 CB ARG A 46 -14.254 -0.342 7.934 1.00 0.00 C ATOM 351 CG ARG A 46 -13.677 -1.055 6.724 1.00 0.00 C ATOM 352 CD ARG A 46 -14.071 -0.359 5.442 1.00 0.00 C ATOM 353 NE ARG A 46 -15.509 -0.452 5.166 1.00 0.00 N ATOM 354 CZ ARG A 46 -16.272 0.531 4.639 1.00 0.00 C ATOM 355 NH1 ARG A 46 -15.781 1.757 4.468 1.00 0.00 N ATOM 356 NH2 ARG A 46 -17.531 0.285 4.295 1.00 0.00 N ATOM 0 H ARG A 46 -15.007 0.582 10.072 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.204 -1.983 9.302 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -15.342 -0.348 7.861 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.939 0.701 7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.590 -1.090 6.803 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.029 -2.086 6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.784 0.691 5.500 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.517 -0.796 4.611 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.972 -1.333 5.391 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.819 1.963 4.736 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.367 2.490 4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.923 -0.647 4.428 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.106 1.028 3.897 1.00 0.00 H new ATOM 370 N ARG A 47 -11.784 0.249 9.660 1.00 0.00 N ATOM 371 CA ARG A 47 -10.354 0.466 9.888 1.00 0.00 C ATOM 372 C ARG A 47 -9.816 -0.468 10.957 1.00 0.00 C ATOM 373 O ARG A 47 -8.798 -1.126 10.747 1.00 0.00 O ATOM 374 CB ARG A 47 -10.121 1.929 10.277 1.00 0.00 C ATOM 375 CG ARG A 47 -8.724 2.284 10.748 1.00 0.00 C ATOM 376 CD ARG A 47 -8.654 3.764 11.046 1.00 0.00 C ATOM 377 NE ARG A 47 -7.431 4.149 11.743 1.00 0.00 N ATOM 378 CZ ARG A 47 -7.023 5.411 11.917 1.00 0.00 C ATOM 379 NH1 ARG A 47 -7.620 6.407 11.264 1.00 0.00 N ATOM 380 NH2 ARG A 47 -5.999 5.668 12.716 1.00 0.00 N ATOM 0 H ARG A 47 -12.334 1.107 9.712 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.814 0.246 8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.361 2.554 9.417 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.825 2.189 11.067 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.473 1.710 11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.993 2.021 9.983 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.723 4.321 10.111 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.515 4.048 11.651 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.847 3.404 12.124 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.392 6.209 10.628 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.305 7.367 11.400 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.523 4.905 13.197 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.686 6.629 12.850 1.00 0.00 H new ATOM 394 N ALA A 48 -10.513 -0.551 12.077 1.00 0.00 N ATOM 395 CA ALA A 48 -10.117 -1.415 13.153 1.00 0.00 C ATOM 396 C ALA A 48 -10.025 -2.843 12.667 1.00 0.00 C ATOM 397 O ALA A 48 -8.999 -3.485 12.863 1.00 0.00 O ATOM 398 CB ALA A 48 -11.067 -1.297 14.327 1.00 0.00 C ATOM 0 H ALA A 48 -11.365 -0.020 12.257 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.131 -1.105 13.500 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.742 -1.963 15.126 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.071 -0.269 14.690 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.073 -1.574 14.011 1.00 0.00 H new ATOM 404 N ARG A 49 -11.063 -3.301 11.958 1.00 0.00 N ATOM 405 CA ARG A 49 -11.083 -4.660 11.425 1.00 0.00 C ATOM 406 C ARG A 49 -9.938 -4.880 10.439 1.00 0.00 C ATOM 407 O ARG A 49 -9.296 -5.910 10.485 1.00 0.00 O ATOM 408 CB ARG A 49 -12.400 -5.008 10.736 1.00 0.00 C ATOM 409 CG ARG A 49 -13.634 -5.077 11.609 1.00 0.00 C ATOM 410 CD ARG A 49 -14.840 -5.513 10.771 1.00 0.00 C ATOM 411 NE ARG A 49 -14.653 -6.856 10.158 1.00 0.00 N ATOM 412 CZ ARG A 49 -15.049 -7.217 8.909 1.00 0.00 C ATOM 413 NH1 ARG A 49 -15.527 -6.300 8.061 1.00 0.00 N ATOM 414 NH2 ARG A 49 -14.916 -8.482 8.493 1.00 0.00 N ATOM 0 H ARG A 49 -11.894 -2.751 11.743 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.966 -5.318 12.286 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.579 -4.270 9.954 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.280 -5.972 10.242 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.474 -5.781 12.426 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.826 -4.104 12.060 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.730 -5.525 11.400 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.016 -4.779 9.984 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.188 -7.566 10.723 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.596 -5.324 8.350 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.823 -6.576 7.125 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.515 -9.184 9.115 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.216 -8.744 7.554 1.00 0.00 H new ATOM 428 N ILE A 50 -9.694 -3.904 9.550 1.00 0.00 N ATOM 429 CA ILE A 50 -8.608 -3.987 8.554 1.00 0.00 C ATOM 430 C ILE A 50 -7.271 -4.248 9.244 1.00 0.00 C ATOM 431 O ILE A 50 -6.570 -5.205 8.929 1.00 0.00 O ATOM 432 CB ILE A 50 -8.493 -2.676 7.716 1.00 0.00 C ATOM 433 CG1 ILE A 50 -9.798 -2.417 6.961 1.00 0.00 C ATOM 434 CG2 ILE A 50 -7.324 -2.766 6.725 1.00 0.00 C ATOM 435 CD1 ILE A 50 -9.869 -1.068 6.292 1.00 0.00 C ATOM 0 H ILE A 50 -10.237 -3.042 9.499 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.851 -4.812 7.884 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.305 -1.848 8.399 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.927 -3.192 6.205 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.632 -2.509 7.657 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.262 -1.842 6.151 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.394 -2.916 7.273 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.486 -3.604 6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.826 -0.966 5.780 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.774 -0.284 7.043 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.059 -0.978 5.569 1.00 0.00 H new ATOM 447 N ASN A 51 -6.951 -3.423 10.220 1.00 0.00 N ATOM 448 CA ASN A 51 -5.690 -3.568 10.949 1.00 0.00 C ATOM 449 C ASN A 51 -5.632 -4.888 11.667 1.00 0.00 C ATOM 450 O ASN A 51 -4.621 -5.581 11.609 1.00 0.00 O ATOM 451 CB ASN A 51 -5.458 -2.449 11.960 1.00 0.00 C ATOM 452 CG ASN A 51 -5.224 -1.097 11.348 1.00 0.00 C ATOM 453 OD1 ASN A 51 -4.094 -0.721 11.040 1.00 0.00 O ATOM 454 ND2 ASN A 51 -6.276 -0.355 11.171 1.00 0.00 N ATOM 0 H ASN A 51 -7.536 -2.648 10.531 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.903 -3.515 10.196 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.322 -2.390 12.622 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.599 -2.708 12.579 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.181 0.575 10.764 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.196 -0.703 11.440 1.00 0.00 H new ATOM 461 N GLU A 52 -6.728 -5.247 12.311 1.00 0.00 N ATOM 462 CA GLU A 52 -6.810 -6.488 13.081 1.00 0.00 C ATOM 463 C GLU A 52 -6.679 -7.735 12.205 1.00 0.00 C ATOM 464 O GLU A 52 -6.058 -8.720 12.611 1.00 0.00 O ATOM 465 CB GLU A 52 -8.102 -6.553 13.902 1.00 0.00 C ATOM 466 CG GLU A 52 -8.211 -5.477 14.972 1.00 0.00 C ATOM 467 CD GLU A 52 -7.043 -5.508 15.926 1.00 0.00 C ATOM 468 OE1 GLU A 52 -6.988 -6.418 16.775 1.00 0.00 O ATOM 469 OE2 GLU A 52 -6.139 -4.633 15.828 1.00 0.00 O ATOM 0 H GLU A 52 -7.585 -4.694 12.319 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.960 -6.477 13.763 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.954 -6.467 13.227 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.169 -7.532 14.377 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.265 -4.497 14.497 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.138 -5.613 15.529 1.00 0.00 H new ATOM 476 N SER A 53 -7.239 -7.700 11.022 1.00 0.00 N ATOM 477 CA SER A 53 -7.185 -8.832 10.155 1.00 0.00 C ATOM 478 C SER A 53 -5.822 -8.954 9.491 1.00 0.00 C ATOM 479 O SER A 53 -5.315 -10.040 9.333 1.00 0.00 O ATOM 480 CB SER A 53 -8.342 -8.808 9.154 1.00 0.00 C ATOM 481 OG SER A 53 -8.476 -7.533 8.555 1.00 0.00 O ATOM 0 H SER A 53 -7.737 -6.894 10.644 1.00 0.00 H new ATOM 0 HA SER A 53 -7.311 -9.734 10.753 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.174 -9.559 8.382 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.270 -9.074 9.661 1.00 0.00 H new ATOM 0 HG SER A 53 -9.038 -6.963 9.121 1.00 0.00 H new ATOM 487 N LEU A 54 -5.209 -7.819 9.185 1.00 0.00 N ATOM 488 CA LEU A 54 -3.932 -7.780 8.510 1.00 0.00 C ATOM 489 C LEU A 54 -2.829 -8.195 9.485 1.00 0.00 C ATOM 490 O LEU A 54 -1.875 -8.898 9.125 1.00 0.00 O ATOM 491 CB LEU A 54 -3.704 -6.347 8.027 1.00 0.00 C ATOM 492 CG LEU A 54 -2.845 -6.137 6.782 1.00 0.00 C ATOM 493 CD1 LEU A 54 -2.908 -4.689 6.379 1.00 0.00 C ATOM 494 CD2 LEU A 54 -1.394 -6.552 6.985 1.00 0.00 C ATOM 0 H LEU A 54 -5.591 -6.898 9.402 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.917 -8.466 7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.680 -5.899 7.839 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.249 -5.788 8.845 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.248 -6.775 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.297 -4.532 5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.941 -4.416 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.532 -4.068 7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.834 -6.379 6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.957 -5.964 7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.351 -7.610 7.243 1.00 0.00 H new ATOM 506 N SER A 55 -2.978 -7.786 10.717 1.00 0.00 N ATOM 507 CA SER A 55 -2.000 -8.067 11.714 1.00 0.00 C ATOM 508 C SER A 55 -1.990 -9.550 12.091 1.00 0.00 C ATOM 509 O SER A 55 -0.927 -10.149 12.219 1.00 0.00 O ATOM 510 CB SER A 55 -2.199 -7.151 12.909 1.00 0.00 C ATOM 511 OG SER A 55 -3.524 -7.243 13.406 1.00 0.00 O ATOM 0 H SER A 55 -3.780 -7.251 11.049 1.00 0.00 H new ATOM 0 HA SER A 55 -1.010 -7.861 11.307 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.493 -7.416 13.696 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.985 -6.121 12.622 1.00 0.00 H new ATOM 0 HG SER A 55 -4.065 -6.516 13.032 1.00 0.00 H new ATOM 517 N GLN A 56 -3.163 -10.161 12.221 1.00 0.00 N ATOM 518 CA GLN A 56 -3.217 -11.588 12.518 1.00 0.00 C ATOM 519 C GLN A 56 -2.753 -12.374 11.289 1.00 0.00 C ATOM 520 O GLN A 56 -2.124 -13.419 11.407 1.00 0.00 O ATOM 521 CB GLN A 56 -4.628 -12.021 12.962 1.00 0.00 C ATOM 522 CG GLN A 56 -5.691 -11.884 11.890 1.00 0.00 C ATOM 523 CD GLN A 56 -7.077 -12.190 12.387 1.00 0.00 C ATOM 524 OE1 GLN A 56 -7.542 -13.326 12.341 1.00 0.00 O ATOM 525 NE2 GLN A 56 -7.748 -11.179 12.866 1.00 0.00 N ATOM 0 H GLN A 56 -4.070 -9.703 12.128 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.549 -11.802 13.352 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.590 -13.060 13.288 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.922 -11.426 13.827 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.670 -10.869 11.494 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.452 -12.553 11.063 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.326 -10.251 12.887 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.695 -11.317 13.220 1.00 0.00 H new ATOM 534 N LEU A 57 -3.028 -11.805 10.126 1.00 0.00 N ATOM 535 CA LEU A 57 -2.656 -12.348 8.837 1.00 0.00 C ATOM 536 C LEU A 57 -1.146 -12.567 8.772 1.00 0.00 C ATOM 537 O LEU A 57 -0.692 -13.702 8.615 1.00 0.00 O ATOM 538 CB LEU A 57 -3.191 -11.380 7.748 1.00 0.00 C ATOM 539 CG LEU A 57 -2.945 -11.679 6.277 1.00 0.00 C ATOM 540 CD1 LEU A 57 -4.102 -11.140 5.446 1.00 0.00 C ATOM 541 CD2 LEU A 57 -1.704 -10.980 5.833 1.00 0.00 C ATOM 0 H LEU A 57 -3.534 -10.922 10.055 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.100 -13.329 8.669 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.269 -11.300 7.887 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.770 -10.396 7.954 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.850 -12.757 6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.924 -11.355 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.030 -11.617 5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.181 -10.062 5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.524 -11.192 4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.822 -9.905 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.858 -11.331 6.423 1.00 0.00 H new ATOM 553 N LYS A 58 -0.378 -11.496 8.971 1.00 0.00 N ATOM 554 CA LYS A 58 1.090 -11.591 8.951 1.00 0.00 C ATOM 555 C LYS A 58 1.593 -12.541 10.042 1.00 0.00 C ATOM 556 O LYS A 58 2.520 -13.309 9.818 1.00 0.00 O ATOM 557 CB LYS A 58 1.767 -10.206 9.114 1.00 0.00 C ATOM 558 CG LYS A 58 1.585 -9.562 10.475 1.00 0.00 C ATOM 559 CD LYS A 58 2.330 -8.253 10.598 1.00 0.00 C ATOM 560 CE LYS A 58 2.259 -7.745 12.026 1.00 0.00 C ATOM 561 NZ LYS A 58 2.963 -6.462 12.207 1.00 0.00 N ATOM 0 H LYS A 58 -0.739 -10.558 9.147 1.00 0.00 H new ATOM 0 HA LYS A 58 1.364 -11.988 7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.834 -10.314 8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.371 -9.533 8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.523 -9.391 10.654 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.932 -10.248 11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.371 -8.389 10.303 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.900 -7.516 9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.214 -7.626 12.314 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.691 -8.490 12.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.884 -6.160 13.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.966 -6.579 11.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.536 -5.742 11.591 1.00 0.00 H new ATOM 575 N THR A 59 0.925 -12.514 11.193 1.00 0.00 N ATOM 576 CA THR A 59 1.320 -13.298 12.337 1.00 0.00 C ATOM 577 C THR A 59 1.214 -14.799 12.046 1.00 0.00 C ATOM 578 O THR A 59 2.188 -15.534 12.213 1.00 0.00 O ATOM 579 CB THR A 59 0.473 -12.919 13.575 1.00 0.00 C ATOM 580 OG1 THR A 59 0.614 -11.507 13.823 1.00 0.00 O ATOM 581 CG2 THR A 59 0.926 -13.687 14.813 1.00 0.00 C ATOM 0 H THR A 59 0.094 -11.943 11.348 1.00 0.00 H new ATOM 0 HA THR A 59 2.365 -13.074 12.552 1.00 0.00 H new ATOM 0 HB THR A 59 -0.567 -13.175 13.373 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.056 -11.007 13.192 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.311 -13.398 15.666 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.821 -14.757 14.636 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.970 -13.455 15.023 1.00 0.00 H new ATOM 589 N LEU A 60 0.057 -15.236 11.563 1.00 0.00 N ATOM 590 CA LEU A 60 -0.154 -16.646 11.276 1.00 0.00 C ATOM 591 C LEU A 60 0.651 -17.120 10.075 1.00 0.00 C ATOM 592 O LEU A 60 1.003 -18.292 10.002 1.00 0.00 O ATOM 593 CB LEU A 60 -1.651 -17.028 11.153 1.00 0.00 C ATOM 594 CG LEU A 60 -2.462 -17.202 12.474 1.00 0.00 C ATOM 595 CD1 LEU A 60 -1.838 -18.260 13.375 1.00 0.00 C ATOM 596 CD2 LEU A 60 -2.634 -15.896 13.232 1.00 0.00 C ATOM 0 H LEU A 60 -0.744 -14.637 11.363 1.00 0.00 H new ATOM 0 HA LEU A 60 0.225 -17.180 12.147 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.145 -16.263 10.554 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.715 -17.962 10.594 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.456 -17.538 12.178 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.428 -18.356 14.286 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.819 -19.217 12.853 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.820 -17.966 13.631 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.206 -16.076 14.142 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.655 -15.494 13.492 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.165 -15.179 12.606 1.00 0.00 H new ATOM 608 N ILE A 61 0.947 -16.220 9.146 1.00 0.00 N ATOM 609 CA ILE A 61 1.800 -16.562 8.008 1.00 0.00 C ATOM 610 C ILE A 61 3.227 -16.776 8.477 1.00 0.00 C ATOM 611 O ILE A 61 3.806 -17.863 8.304 1.00 0.00 O ATOM 612 CB ILE A 61 1.781 -15.463 6.906 1.00 0.00 C ATOM 613 CG1 ILE A 61 0.431 -15.441 6.199 1.00 0.00 C ATOM 614 CG2 ILE A 61 2.918 -15.657 5.892 1.00 0.00 C ATOM 615 CD1 ILE A 61 0.128 -16.708 5.419 1.00 0.00 C ATOM 0 H ILE A 61 0.614 -15.256 9.154 1.00 0.00 H new ATOM 0 HA ILE A 61 1.404 -17.479 7.573 1.00 0.00 H new ATOM 0 HB ILE A 61 1.938 -14.502 7.395 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.354 -15.284 6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.402 -14.590 5.518 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.872 -14.871 5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.877 -15.610 6.407 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.813 -16.629 5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.849 -16.618 4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.891 -16.856 4.655 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.124 -17.561 6.098 1.00 0.00 H new ATOM 627 N LEU A 62 3.761 -15.769 9.142 1.00 0.00 N ATOM 628 CA LEU A 62 5.133 -15.774 9.608 1.00 0.00 C ATOM 629 C LEU A 62 5.337 -16.985 10.533 1.00 0.00 C ATOM 630 O LEU A 62 6.377 -17.599 10.528 1.00 0.00 O ATOM 631 CB LEU A 62 5.420 -14.429 10.337 1.00 0.00 C ATOM 632 CG LEU A 62 6.886 -13.920 10.439 1.00 0.00 C ATOM 633 CD1 LEU A 62 7.778 -14.827 11.261 1.00 0.00 C ATOM 634 CD2 LEU A 62 7.476 -13.687 9.056 1.00 0.00 C ATOM 0 H LEU A 62 3.250 -14.918 9.375 1.00 0.00 H new ATOM 0 HA LEU A 62 5.833 -15.863 8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.838 -13.654 9.838 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.031 -14.516 11.352 1.00 0.00 H new ATOM 0 HG LEU A 62 6.844 -12.969 10.970 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.786 -14.415 11.292 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.385 -14.902 12.275 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.805 -15.818 10.808 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.502 -13.331 9.153 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.468 -14.621 8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.882 -12.941 8.528 1.00 0.00 H new ATOM 646 N ASP A 63 4.281 -17.364 11.230 1.00 0.00 N ATOM 647 CA ASP A 63 4.297 -18.484 12.175 1.00 0.00 C ATOM 648 C ASP A 63 4.135 -19.821 11.465 1.00 0.00 C ATOM 649 O ASP A 63 4.585 -20.834 11.932 1.00 0.00 O ATOM 650 CB ASP A 63 3.139 -18.341 13.112 1.00 0.00 C ATOM 651 CG ASP A 63 3.242 -19.198 14.351 1.00 0.00 C ATOM 652 OD1 ASP A 63 3.873 -18.774 15.336 1.00 0.00 O ATOM 653 OD2 ASP A 63 2.688 -20.301 14.375 1.00 0.00 O ATOM 0 H ASP A 63 3.374 -16.902 11.160 1.00 0.00 H new ATOM 0 HA ASP A 63 5.254 -18.464 12.696 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.054 -17.296 13.411 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.222 -18.596 12.581 1.00 0.00 H new ATOM 658 N ALA A 64 3.488 -19.824 10.349 1.00 0.00 N ATOM 659 CA ALA A 64 3.236 -21.073 9.663 1.00 0.00 C ATOM 660 C ALA A 64 4.487 -21.612 9.015 1.00 0.00 C ATOM 661 O ALA A 64 4.626 -22.821 8.818 1.00 0.00 O ATOM 662 CB ALA A 64 2.131 -20.921 8.647 1.00 0.00 C ATOM 0 H ALA A 64 3.122 -18.992 9.886 1.00 0.00 H new ATOM 0 HA ALA A 64 2.913 -21.796 10.412 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.963 -21.875 8.147 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.215 -20.608 9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.415 -20.170 7.910 1.00 0.00 H new ATOM 668 N LEU A 65 5.388 -20.725 8.658 1.00 0.00 N ATOM 669 CA LEU A 65 6.621 -21.183 8.001 1.00 0.00 C ATOM 670 C LEU A 65 7.824 -20.882 8.849 1.00 0.00 C ATOM 671 O LEU A 65 8.748 -21.690 8.952 1.00 0.00 O ATOM 672 CB LEU A 65 6.833 -20.547 6.608 1.00 0.00 C ATOM 673 CG LEU A 65 5.662 -20.583 5.644 1.00 0.00 C ATOM 674 CD1 LEU A 65 4.645 -19.546 6.035 1.00 0.00 C ATOM 675 CD2 LEU A 65 6.140 -20.366 4.233 1.00 0.00 C ATOM 0 H LEU A 65 5.311 -19.718 8.798 1.00 0.00 H new ATOM 0 HA LEU A 65 6.505 -22.259 7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.120 -19.505 6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.677 -21.047 6.133 1.00 0.00 H new ATOM 0 HG LEU A 65 5.189 -21.564 5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.807 -19.577 5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.286 -19.750 7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.104 -18.558 6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.289 -20.394 3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.631 -19.395 4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.847 -21.151 3.963 1.00 0.00 H new ATOM 687 N LYS A 66 7.771 -19.729 9.484 1.00 0.00 N ATOM 688 CA LYS A 66 8.836 -19.180 10.293 1.00 0.00 C ATOM 689 C LYS A 66 9.989 -18.767 9.484 1.00 0.00 C ATOM 690 O LYS A 66 10.996 -19.454 9.333 1.00 0.00 O ATOM 691 CB LYS A 66 9.115 -19.992 11.520 1.00 0.00 C ATOM 692 CG LYS A 66 7.879 -19.958 12.344 1.00 0.00 C ATOM 693 CD LYS A 66 7.867 -20.871 13.488 1.00 0.00 C ATOM 694 CE LYS A 66 6.495 -20.799 14.022 1.00 0.00 C ATOM 695 NZ LYS A 66 6.250 -21.700 15.148 1.00 0.00 N ATOM 0 H LYS A 66 6.950 -19.125 9.448 1.00 0.00 H new ATOM 0 HA LYS A 66 8.491 -18.239 10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.376 -21.017 11.255 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.960 -19.581 12.072 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.733 -18.941 12.709 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.028 -20.192 11.704 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.119 -21.887 13.184 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.599 -20.572 14.239 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.291 -19.776 14.337 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.792 -21.032 13.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.267 -21.594 15.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.412 -22.682 14.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.897 -21.465 15.928 1.00 0.00 H new ATOM 709 N LYS A 67 9.746 -17.658 8.866 1.00 0.00 N ATOM 710 CA LYS A 67 10.636 -17.039 7.930 1.00 0.00 C ATOM 711 C LYS A 67 11.752 -16.348 8.672 1.00 0.00 C ATOM 712 O LYS A 67 12.884 -16.830 8.684 1.00 0.00 O ATOM 713 CB LYS A 67 9.826 -16.060 7.074 1.00 0.00 C ATOM 714 CG LYS A 67 8.530 -16.703 6.598 1.00 0.00 C ATOM 715 CD LYS A 67 7.715 -15.855 5.665 1.00 0.00 C ATOM 716 CE LYS A 67 8.409 -15.632 4.347 1.00 0.00 C ATOM 717 NZ LYS A 67 8.719 -16.901 3.623 1.00 0.00 N ATOM 0 H LYS A 67 8.883 -17.132 9.004 1.00 0.00 H new ATOM 0 HA LYS A 67 11.093 -17.781 7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.602 -15.164 7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.418 -15.745 6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.768 -17.642 6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.922 -16.950 7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.751 -16.333 5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.513 -14.892 6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.781 -15.005 3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.335 -15.084 4.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.973 -16.685 2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.516 -17.381 4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.885 -17.522 3.638 1.00 0.00 H new ATOM 731 N ASP A 68 11.418 -15.262 9.330 1.00 0.00 N ATOM 732 CA ASP A 68 12.345 -14.497 10.132 1.00 0.00 C ATOM 733 C ASP A 68 11.568 -13.463 10.825 1.00 0.00 C ATOM 734 O ASP A 68 10.824 -12.708 10.188 1.00 0.00 O ATOM 735 CB ASP A 68 13.397 -13.823 9.287 1.00 0.00 C ATOM 736 CG ASP A 68 14.413 -13.077 10.078 1.00 0.00 C ATOM 737 OD1 ASP A 68 15.180 -13.711 10.845 1.00 0.00 O ATOM 738 OD2 ASP A 68 14.443 -11.857 9.982 1.00 0.00 O ATOM 0 H ASP A 68 10.473 -14.877 9.322 1.00 0.00 H new ATOM 0 HA ASP A 68 12.855 -15.167 10.824 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.902 -14.576 8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.910 -13.134 8.597 1.00 0.00 H new ATOM 743 N SER A 69 11.706 -13.406 12.089 1.00 0.00 N ATOM 744 CA SER A 69 10.955 -12.490 12.835 1.00 0.00 C ATOM 745 C SER A 69 11.606 -11.100 12.871 1.00 0.00 C ATOM 746 O SER A 69 10.970 -10.111 13.210 1.00 0.00 O ATOM 747 CB SER A 69 10.609 -13.060 14.198 1.00 0.00 C ATOM 748 OG SER A 69 11.775 -13.538 14.876 1.00 0.00 O ATOM 0 H SER A 69 12.341 -13.991 12.632 1.00 0.00 H new ATOM 0 HA SER A 69 10.003 -12.328 12.330 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.124 -12.293 14.802 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.894 -13.875 14.082 1.00 0.00 H new ATOM 0 HG SER A 69 11.520 -13.897 15.751 1.00 0.00 H new ATOM 754 N SER A 70 12.858 -11.042 12.501 1.00 0.00 N ATOM 755 CA SER A 70 13.565 -9.801 12.409 1.00 0.00 C ATOM 756 C SER A 70 13.049 -9.015 11.199 1.00 0.00 C ATOM 757 O SER A 70 12.779 -7.814 11.289 1.00 0.00 O ATOM 758 CB SER A 70 15.041 -10.097 12.286 1.00 0.00 C ATOM 759 OG SER A 70 15.487 -10.869 13.395 1.00 0.00 O ATOM 0 H SER A 70 13.415 -11.860 12.255 1.00 0.00 H new ATOM 0 HA SER A 70 13.403 -9.194 13.300 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.234 -10.636 11.359 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.602 -9.164 12.235 1.00 0.00 H new ATOM 0 HG SER A 70 16.445 -11.054 13.301 1.00 0.00 H new ATOM 765 N ARG A 71 12.861 -9.709 10.073 1.00 0.00 N ATOM 766 CA ARG A 71 12.308 -9.087 8.877 1.00 0.00 C ATOM 767 C ARG A 71 10.822 -8.879 9.030 1.00 0.00 C ATOM 768 O ARG A 71 10.216 -8.153 8.273 1.00 0.00 O ATOM 769 CB ARG A 71 12.698 -9.838 7.569 1.00 0.00 C ATOM 770 CG ARG A 71 12.126 -11.245 7.365 1.00 0.00 C ATOM 771 CD ARG A 71 10.894 -11.249 6.464 1.00 0.00 C ATOM 772 NE ARG A 71 11.169 -10.512 5.192 1.00 0.00 N ATOM 773 CZ ARG A 71 10.248 -10.067 4.304 1.00 0.00 C ATOM 774 NH1 ARG A 71 9.000 -10.420 4.415 1.00 0.00 N ATOM 775 NH2 ARG A 71 10.609 -9.288 3.292 1.00 0.00 N ATOM 0 H ARG A 71 13.084 -10.699 9.969 1.00 0.00 H new ATOM 0 HA ARG A 71 12.762 -8.102 8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.390 -9.223 6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.785 -9.908 7.532 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.893 -11.886 6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.866 -11.672 8.333 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.604 -12.276 6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.055 -10.787 6.984 1.00 0.00 H new ATOM 0 HE ARG A 71 12.147 -10.326 4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.710 -11.036 5.175 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.312 -10.081 3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.587 -9.020 3.178 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.909 -8.957 2.628 1.00 0.00 H new ATOM 789 N HIS A 72 10.248 -9.502 10.050 1.00 0.00 N ATOM 790 CA HIS A 72 8.856 -9.275 10.419 1.00 0.00 C ATOM 791 C HIS A 72 8.684 -7.830 10.909 1.00 0.00 C ATOM 792 O HIS A 72 7.634 -7.211 10.728 1.00 0.00 O ATOM 793 CB HIS A 72 8.396 -10.308 11.469 1.00 0.00 C ATOM 794 CG HIS A 72 6.977 -10.157 11.949 1.00 0.00 C ATOM 795 ND1 HIS A 72 6.641 -9.769 13.225 1.00 0.00 N ATOM 796 CD2 HIS A 72 5.803 -10.374 11.304 1.00 0.00 C ATOM 797 CE1 HIS A 72 5.313 -9.762 13.320 1.00 0.00 C ATOM 798 NE2 HIS A 72 4.751 -10.121 12.179 1.00 0.00 N ATOM 0 H HIS A 72 10.731 -10.176 10.643 1.00 0.00 H new ATOM 0 HA HIS A 72 8.218 -9.411 9.545 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.514 -11.306 11.047 1.00 0.00 H new ATOM 0 HB3 HIS A 72 9.061 -10.245 12.330 1.00 0.00 H new ATOM 0 HD1 HIS A 72 7.296 -9.528 13.969 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.701 -10.692 10.277 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.766 -9.497 14.213 1.00 0.00 H new ATOM 806 N SER A 73 9.753 -7.277 11.444 1.00 0.00 N ATOM 807 CA SER A 73 9.764 -5.907 11.913 1.00 0.00 C ATOM 808 C SER A 73 10.009 -4.937 10.734 1.00 0.00 C ATOM 809 O SER A 73 10.015 -3.709 10.888 1.00 0.00 O ATOM 810 CB SER A 73 10.844 -5.765 12.974 1.00 0.00 C ATOM 811 OG SER A 73 10.723 -6.805 13.948 1.00 0.00 O ATOM 0 H SER A 73 10.640 -7.766 11.566 1.00 0.00 H new ATOM 0 HA SER A 73 8.798 -5.654 12.349 1.00 0.00 H new ATOM 0 HB2 SER A 73 11.829 -5.807 12.508 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.761 -4.792 13.459 1.00 0.00 H new ATOM 0 HG SER A 73 11.425 -6.703 14.624 1.00 0.00 H new ATOM 817 N LYS A 74 10.164 -5.510 9.569 1.00 0.00 N ATOM 818 CA LYS A 74 10.433 -4.791 8.334 1.00 0.00 C ATOM 819 C LYS A 74 9.416 -5.258 7.281 1.00 0.00 C ATOM 820 O LYS A 74 9.578 -5.062 6.073 1.00 0.00 O ATOM 821 CB LYS A 74 11.895 -5.083 7.899 1.00 0.00 C ATOM 822 CG LYS A 74 12.429 -4.390 6.616 1.00 0.00 C ATOM 823 CD LYS A 74 12.347 -2.857 6.659 1.00 0.00 C ATOM 824 CE LYS A 74 11.008 -2.320 6.146 1.00 0.00 C ATOM 825 NZ LYS A 74 10.807 -2.653 4.717 1.00 0.00 N ATOM 0 H LYS A 74 10.106 -6.520 9.441 1.00 0.00 H new ATOM 0 HA LYS A 74 10.330 -3.713 8.461 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.550 -4.806 8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.993 -6.160 7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.467 -4.685 6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.863 -4.751 5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.501 -2.518 7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.155 -2.437 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.195 -2.740 6.737 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.973 -1.239 6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.198 -1.935 4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.727 -2.672 4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.355 -3.586 4.638 1.00 0.00 H new ATOM 839 N LEU A 75 8.353 -5.826 7.765 1.00 0.00 N ATOM 840 CA LEU A 75 7.327 -6.342 6.910 1.00 0.00 C ATOM 841 C LEU A 75 6.429 -5.197 6.484 1.00 0.00 C ATOM 842 O LEU A 75 5.840 -4.504 7.323 1.00 0.00 O ATOM 843 CB LEU A 75 6.491 -7.435 7.607 1.00 0.00 C ATOM 844 CG LEU A 75 6.400 -8.813 6.907 1.00 0.00 C ATOM 845 CD1 LEU A 75 6.334 -8.705 5.414 1.00 0.00 C ATOM 846 CD2 LEU A 75 7.479 -9.772 7.339 1.00 0.00 C ATOM 0 H LEU A 75 8.172 -5.945 8.762 1.00 0.00 H new ATOM 0 HA LEU A 75 7.799 -6.802 6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.902 -7.590 8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.478 -7.054 7.736 1.00 0.00 H new ATOM 0 HG LEU A 75 5.452 -9.235 7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.272 -9.703 4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.453 -8.129 5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.229 -8.204 5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.358 -10.718 6.811 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.456 -9.349 7.106 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.405 -9.944 8.413 1.00 0.00 H new ATOM 858 N GLU A 76 6.371 -4.972 5.208 1.00 0.00 N ATOM 859 CA GLU A 76 5.543 -3.932 4.664 1.00 0.00 C ATOM 860 C GLU A 76 4.258 -4.544 4.206 1.00 0.00 C ATOM 861 O GLU A 76 4.244 -5.707 3.834 1.00 0.00 O ATOM 862 CB GLU A 76 6.228 -3.231 3.505 1.00 0.00 C ATOM 863 CG GLU A 76 7.564 -2.634 3.872 1.00 0.00 C ATOM 864 CD GLU A 76 8.155 -1.797 2.777 1.00 0.00 C ATOM 865 OE1 GLU A 76 7.501 -1.578 1.738 1.00 0.00 O ATOM 866 OE2 GLU A 76 9.273 -1.284 2.968 1.00 0.00 O ATOM 0 H GLU A 76 6.895 -5.502 4.511 1.00 0.00 H new ATOM 0 HA GLU A 76 5.355 -3.184 5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.367 -3.942 2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.576 -2.442 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.448 -2.022 4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.258 -3.437 4.122 1.00 0.00 H new ATOM 873 N LYS A 77 3.197 -3.763 4.207 1.00 0.00 N ATOM 874 CA LYS A 77 1.858 -4.235 3.866 1.00 0.00 C ATOM 875 C LYS A 77 1.800 -5.071 2.572 1.00 0.00 C ATOM 876 O LYS A 77 1.247 -6.160 2.561 1.00 0.00 O ATOM 877 CB LYS A 77 0.899 -3.066 3.838 1.00 0.00 C ATOM 878 CG LYS A 77 -0.521 -3.441 3.480 1.00 0.00 C ATOM 879 CD LYS A 77 -1.521 -2.505 4.140 1.00 0.00 C ATOM 880 CE LYS A 77 -1.261 -1.088 3.765 1.00 0.00 C ATOM 881 NZ LYS A 77 -2.070 -0.137 4.550 1.00 0.00 N ATOM 0 H LYS A 77 3.234 -2.772 4.446 1.00 0.00 H new ATOM 0 HA LYS A 77 1.551 -4.929 4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.901 -2.585 4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.261 -2.330 3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.647 -3.407 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.719 -4.467 3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.533 -2.782 3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.465 -2.613 5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.204 -0.866 3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.474 -0.952 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.851 0.835 4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.080 -0.329 4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.850 -0.245 5.561 1.00 0.00 H new ATOM 895 N ALA A 78 2.433 -4.584 1.533 1.00 0.00 N ATOM 896 CA ALA A 78 2.475 -5.278 0.234 1.00 0.00 C ATOM 897 C ALA A 78 3.204 -6.618 0.324 1.00 0.00 C ATOM 898 O ALA A 78 2.834 -7.589 -0.335 1.00 0.00 O ATOM 899 CB ALA A 78 3.175 -4.408 -0.788 1.00 0.00 C ATOM 0 H ALA A 78 2.938 -3.698 1.546 1.00 0.00 H new ATOM 0 HA ALA A 78 1.445 -5.469 -0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.204 -4.925 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.633 -3.469 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.193 -4.203 -0.455 1.00 0.00 H new ATOM 905 N ASP A 79 4.184 -6.667 1.203 1.00 0.00 N ATOM 906 CA ASP A 79 5.082 -7.821 1.327 1.00 0.00 C ATOM 907 C ASP A 79 4.310 -8.921 2.032 1.00 0.00 C ATOM 908 O ASP A 79 4.354 -10.090 1.662 1.00 0.00 O ATOM 909 CB ASP A 79 6.311 -7.407 2.170 1.00 0.00 C ATOM 910 CG ASP A 79 7.502 -8.369 2.100 1.00 0.00 C ATOM 911 OD1 ASP A 79 7.380 -9.556 2.448 1.00 0.00 O ATOM 912 OD2 ASP A 79 8.622 -7.925 1.738 1.00 0.00 O ATOM 0 H ASP A 79 4.389 -5.912 1.857 1.00 0.00 H new ATOM 0 HA ASP A 79 5.426 -8.168 0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.641 -6.421 1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.002 -7.311 3.211 1.00 0.00 H new ATOM 917 N ILE A 80 3.537 -8.484 3.004 1.00 0.00 N ATOM 918 CA ILE A 80 2.694 -9.329 3.824 1.00 0.00 C ATOM 919 C ILE A 80 1.590 -9.948 2.979 1.00 0.00 C ATOM 920 O ILE A 80 1.397 -11.168 2.982 1.00 0.00 O ATOM 921 CB ILE A 80 2.049 -8.477 4.940 1.00 0.00 C ATOM 922 CG1 ILE A 80 3.132 -7.795 5.744 1.00 0.00 C ATOM 923 CG2 ILE A 80 1.199 -9.332 5.836 1.00 0.00 C ATOM 924 CD1 ILE A 80 2.660 -6.753 6.704 1.00 0.00 C ATOM 0 H ILE A 80 3.476 -7.497 3.254 1.00 0.00 H new ATOM 0 HA ILE A 80 3.304 -10.121 4.258 1.00 0.00 H new ATOM 0 HB ILE A 80 1.409 -7.723 4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.680 -8.555 6.300 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.838 -7.334 5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.754 -8.713 6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.409 -9.800 5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.816 -10.104 6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.515 -6.327 7.229 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.140 -5.965 6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.980 -7.205 7.426 1.00 0.00 H new ATOM 936 N LEU A 81 0.890 -9.099 2.249 1.00 0.00 N ATOM 937 CA LEU A 81 -0.224 -9.508 1.400 1.00 0.00 C ATOM 938 C LEU A 81 0.173 -10.618 0.439 1.00 0.00 C ATOM 939 O LEU A 81 -0.435 -11.686 0.448 1.00 0.00 O ATOM 940 CB LEU A 81 -0.766 -8.300 0.633 1.00 0.00 C ATOM 941 CG LEU A 81 -1.893 -7.464 1.285 1.00 0.00 C ATOM 942 CD1 LEU A 81 -1.664 -7.222 2.774 1.00 0.00 C ATOM 943 CD2 LEU A 81 -1.988 -6.133 0.569 1.00 0.00 C ATOM 0 H LEU A 81 1.077 -8.097 2.226 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.008 -9.906 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.071 -7.631 0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.130 -8.654 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.820 -8.029 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.486 -6.631 3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.615 -8.178 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.727 -6.684 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.779 -5.533 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.039 -5.605 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.215 -6.302 -0.484 1.00 0.00 H new ATOM 955 N GLU A 82 1.234 -10.397 -0.317 1.00 0.00 N ATOM 956 CA GLU A 82 1.710 -11.378 -1.279 1.00 0.00 C ATOM 957 C GLU A 82 2.166 -12.657 -0.601 1.00 0.00 C ATOM 958 O GLU A 82 1.901 -13.743 -1.092 1.00 0.00 O ATOM 959 CB GLU A 82 2.810 -10.772 -2.161 1.00 0.00 C ATOM 960 CG GLU A 82 3.659 -11.739 -2.929 1.00 0.00 C ATOM 961 CD GLU A 82 4.675 -11.033 -3.785 1.00 0.00 C ATOM 962 OE1 GLU A 82 4.289 -10.415 -4.793 1.00 0.00 O ATOM 963 OE2 GLU A 82 5.883 -11.068 -3.466 1.00 0.00 O ATOM 0 H GLU A 82 1.787 -9.540 -0.283 1.00 0.00 H new ATOM 0 HA GLU A 82 0.876 -11.652 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.341 -10.091 -2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.464 -10.172 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.170 -12.406 -2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.023 -12.361 -3.558 1.00 0.00 H new ATOM 970 N MET A 83 2.751 -12.523 0.567 1.00 0.00 N ATOM 971 CA MET A 83 3.303 -13.648 1.294 1.00 0.00 C ATOM 972 C MET A 83 2.182 -14.585 1.695 1.00 0.00 C ATOM 973 O MET A 83 2.306 -15.809 1.630 1.00 0.00 O ATOM 974 CB MET A 83 3.999 -13.129 2.533 1.00 0.00 C ATOM 975 CG MET A 83 4.738 -14.171 3.326 1.00 0.00 C ATOM 976 SD MET A 83 5.430 -13.495 4.839 1.00 0.00 S ATOM 977 CE MET A 83 6.461 -12.224 4.156 1.00 0.00 C ATOM 0 H MET A 83 2.859 -11.628 1.043 1.00 0.00 H new ATOM 0 HA MET A 83 4.014 -14.187 0.668 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.703 -12.351 2.238 1.00 0.00 H new ATOM 0 HB3 MET A 83 3.257 -12.660 3.179 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.061 -14.989 3.570 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.538 -14.591 2.717 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.115 -11.829 4.933 1.00 0.00 H new ATOM 0 HE2 MET A 83 7.065 -12.640 3.350 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.837 -11.421 3.764 1.00 0.00 H new ATOM 987 N THR A 84 1.085 -13.984 2.046 1.00 0.00 N ATOM 988 CA THR A 84 -0.089 -14.672 2.478 1.00 0.00 C ATOM 989 C THR A 84 -0.764 -15.375 1.295 1.00 0.00 C ATOM 990 O THR A 84 -1.150 -16.540 1.393 1.00 0.00 O ATOM 991 CB THR A 84 -1.023 -13.652 3.131 1.00 0.00 C ATOM 992 OG1 THR A 84 -0.252 -12.943 4.099 1.00 0.00 O ATOM 993 CG2 THR A 84 -2.181 -14.325 3.848 1.00 0.00 C ATOM 0 H THR A 84 0.982 -12.969 2.038 1.00 0.00 H new ATOM 0 HA THR A 84 0.167 -15.445 3.203 1.00 0.00 H new ATOM 0 HB THR A 84 -1.437 -13.000 2.361 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.114 -12.130 3.693 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.821 -13.566 4.298 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.760 -14.911 3.134 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.794 -14.982 4.627 1.00 0.00 H new ATOM 1001 N VAL A 85 -0.848 -14.681 0.164 1.00 0.00 N ATOM 1002 CA VAL A 85 -1.439 -15.250 -1.045 1.00 0.00 C ATOM 1003 C VAL A 85 -0.596 -16.431 -1.519 1.00 0.00 C ATOM 1004 O VAL A 85 -1.119 -17.510 -1.805 1.00 0.00 O ATOM 1005 CB VAL A 85 -1.519 -14.214 -2.190 1.00 0.00 C ATOM 1006 CG1 VAL A 85 -2.239 -14.770 -3.412 1.00 0.00 C ATOM 1007 CG2 VAL A 85 -2.176 -12.951 -1.734 1.00 0.00 C ATOM 0 H VAL A 85 -0.514 -13.723 0.058 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.451 -15.569 -0.795 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.493 -13.987 -2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.273 -14.009 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.705 -15.646 -3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.255 -15.054 -3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.217 -12.243 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.188 -13.170 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.603 -12.518 -0.914 1.00 0.00 H new ATOM 1017 N LYS A 86 0.711 -16.233 -1.542 1.00 0.00 N ATOM 1018 CA LYS A 86 1.629 -17.251 -2.001 1.00 0.00 C ATOM 1019 C LYS A 86 1.626 -18.474 -1.069 1.00 0.00 C ATOM 1020 O LYS A 86 1.700 -19.614 -1.524 1.00 0.00 O ATOM 1021 CB LYS A 86 3.041 -16.690 -2.196 1.00 0.00 C ATOM 1022 CG LYS A 86 3.123 -15.526 -3.199 1.00 0.00 C ATOM 1023 CD LYS A 86 4.549 -15.294 -3.623 1.00 0.00 C ATOM 1024 CE LYS A 86 4.643 -14.503 -4.917 1.00 0.00 C ATOM 1025 NZ LYS A 86 6.044 -14.368 -5.371 1.00 0.00 N ATOM 0 H LYS A 86 1.159 -15.367 -1.244 1.00 0.00 H new ATOM 0 HA LYS A 86 1.280 -17.588 -2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.422 -16.352 -1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.696 -17.493 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.509 -15.747 -4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.720 -14.620 -2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.078 -14.760 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.049 -16.254 -3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.055 -14.998 -5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.210 -13.513 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.071 -13.823 -6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.599 -13.874 -4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.449 -15.312 -5.533 1.00 0.00 H new ATOM 1039 N HIS A 87 1.487 -18.236 0.226 1.00 0.00 N ATOM 1040 CA HIS A 87 1.396 -19.325 1.196 1.00 0.00 C ATOM 1041 C HIS A 87 0.060 -20.062 1.058 1.00 0.00 C ATOM 1042 O HIS A 87 -0.037 -21.257 1.356 1.00 0.00 O ATOM 1043 CB HIS A 87 1.630 -18.832 2.643 1.00 0.00 C ATOM 1044 CG HIS A 87 1.539 -19.919 3.701 1.00 0.00 C ATOM 1045 ND1 HIS A 87 2.500 -20.891 3.908 1.00 0.00 N ATOM 1046 CD2 HIS A 87 0.553 -20.186 4.594 1.00 0.00 C ATOM 1047 CE1 HIS A 87 2.071 -21.695 4.885 1.00 0.00 C ATOM 1048 NE2 HIS A 87 0.900 -21.310 5.339 1.00 0.00 N ATOM 0 H HIS A 87 1.434 -17.302 0.633 1.00 0.00 H new ATOM 0 HA HIS A 87 2.195 -20.033 0.975 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.615 -18.368 2.701 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.898 -18.057 2.872 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.357 -19.617 4.709 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.617 -22.551 5.254 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.356 -21.745 6.084 1.00 0.00 H new ATOM 1056 N LEU A 88 -0.952 -19.367 0.564 1.00 0.00 N ATOM 1057 CA LEU A 88 -2.260 -19.940 0.414 1.00 0.00 C ATOM 1058 C LEU A 88 -2.157 -20.981 -0.698 1.00 0.00 C ATOM 1059 O LEU A 88 -2.761 -22.048 -0.633 1.00 0.00 O ATOM 1060 CB LEU A 88 -3.266 -18.801 0.075 1.00 0.00 C ATOM 1061 CG LEU A 88 -4.782 -19.055 0.247 1.00 0.00 C ATOM 1062 CD1 LEU A 88 -5.322 -20.089 -0.726 1.00 0.00 C ATOM 1063 CD2 LEU A 88 -5.098 -19.434 1.689 1.00 0.00 C ATOM 0 H LEU A 88 -0.881 -18.396 0.260 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.619 -20.424 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.006 -17.940 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.098 -18.513 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.291 -18.121 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.390 -20.225 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.157 -19.748 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.807 -21.037 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.169 -19.609 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.554 -20.341 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.797 -18.623 2.353 1.00 0.00 H new ATOM 1075 N ARG A 89 -1.309 -20.678 -1.680 1.00 0.00 N ATOM 1076 CA ARG A 89 -1.051 -21.572 -2.804 1.00 0.00 C ATOM 1077 C ARG A 89 -0.326 -22.808 -2.278 1.00 0.00 C ATOM 1078 O ARG A 89 -0.595 -23.940 -2.699 1.00 0.00 O ATOM 1079 CB ARG A 89 -0.167 -20.889 -3.869 1.00 0.00 C ATOM 1080 CG ARG A 89 -0.525 -19.434 -4.163 1.00 0.00 C ATOM 1081 CD ARG A 89 -1.987 -19.249 -4.512 1.00 0.00 C ATOM 1082 NE ARG A 89 -2.339 -19.908 -5.781 1.00 0.00 N ATOM 1083 CZ ARG A 89 -3.562 -20.313 -6.151 1.00 0.00 C ATOM 1084 NH1 ARG A 89 -4.602 -20.153 -5.332 1.00 0.00 N ATOM 1085 NH2 ARG A 89 -3.733 -20.859 -7.348 1.00 0.00 N ATOM 0 H ARG A 89 -0.782 -19.805 -1.717 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.001 -21.840 -3.267 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.872 -20.934 -3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.234 -21.459 -4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.283 -18.822 -3.294 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.089 -19.073 -4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.605 -19.653 -3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.211 -18.185 -4.582 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.579 -20.072 -6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.469 -19.720 -4.418 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.530 -20.463 -5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.938 -20.967 -7.977 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.660 -21.170 -7.639 1.00 0.00 H new ATOM 1099 N ASN A 90 0.571 -22.573 -1.321 1.00 0.00 N ATOM 1100 CA ASN A 90 1.327 -23.632 -0.666 1.00 0.00 C ATOM 1101 C ASN A 90 0.396 -24.608 -0.014 1.00 0.00 C ATOM 1102 O ASN A 90 0.462 -25.785 -0.274 1.00 0.00 O ATOM 1103 CB ASN A 90 2.331 -23.086 0.378 1.00 0.00 C ATOM 1104 CG ASN A 90 3.517 -22.360 -0.237 1.00 0.00 C ATOM 1105 OD1 ASN A 90 3.921 -22.653 -1.355 1.00 0.00 O ATOM 1106 ND2 ASN A 90 4.124 -21.447 0.504 1.00 0.00 N ATOM 0 H ASN A 90 0.792 -21.638 -0.979 1.00 0.00 H new ATOM 0 HA ASN A 90 1.905 -24.135 -1.441 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.809 -22.406 1.050 1.00 0.00 H new ATOM 0 HB3 ASN A 90 2.698 -23.914 0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.950 -20.967 0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.765 -21.223 1.432 1.00 0.00 H new ATOM 1113 N LEU A 91 -0.516 -24.105 0.782 1.00 0.00 N ATOM 1114 CA LEU A 91 -1.502 -24.941 1.478 1.00 0.00 C ATOM 1115 C LEU A 91 -2.440 -25.594 0.482 1.00 0.00 C ATOM 1116 O LEU A 91 -2.870 -26.727 0.676 1.00 0.00 O ATOM 1117 CB LEU A 91 -2.290 -24.097 2.458 1.00 0.00 C ATOM 1118 CG LEU A 91 -1.488 -23.332 3.502 1.00 0.00 C ATOM 1119 CD1 LEU A 91 -2.393 -22.419 4.291 1.00 0.00 C ATOM 1120 CD2 LEU A 91 -0.763 -24.283 4.428 1.00 0.00 C ATOM 0 H LEU A 91 -0.607 -23.108 0.975 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.976 -25.725 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.881 -23.379 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.993 -24.747 2.979 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.743 -22.727 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.806 -21.878 5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.869 -21.707 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.158 -23.011 4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.197 -23.713 5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.488 -24.917 4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.081 -24.905 3.849 1.00 0.00 H new ATOM 1132 N GLN A 92 -2.717 -24.907 -0.600 1.00 0.00 N ATOM 1133 CA GLN A 92 -3.557 -25.455 -1.644 1.00 0.00 C ATOM 1134 C GLN A 92 -2.864 -26.530 -2.450 1.00 0.00 C ATOM 1135 O GLN A 92 -3.508 -27.242 -3.217 1.00 0.00 O ATOM 1136 CB GLN A 92 -4.145 -24.377 -2.538 1.00 0.00 C ATOM 1137 CG GLN A 92 -5.299 -23.619 -1.909 1.00 0.00 C ATOM 1138 CD GLN A 92 -6.520 -24.485 -1.668 1.00 0.00 C ATOM 1139 OE1 GLN A 92 -6.433 -25.689 -1.429 1.00 0.00 O ATOM 1140 NE2 GLN A 92 -7.657 -23.883 -1.711 1.00 0.00 N ATOM 0 H GLN A 92 -2.373 -23.964 -0.783 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.390 -25.937 -1.132 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.359 -23.669 -2.802 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.487 -24.835 -3.466 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.971 -23.192 -0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.574 -22.786 -2.556 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.698 -22.884 -1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.517 -24.405 -1.544 1.00 0.00 H new ATOM 1149 N ARG A 93 -1.561 -26.662 -2.282 1.00 0.00 N ATOM 1150 CA ARG A 93 -0.853 -27.722 -2.948 1.00 0.00 C ATOM 1151 C ARG A 93 -0.286 -28.668 -1.927 1.00 0.00 C ATOM 1152 O ARG A 93 0.296 -29.694 -2.261 1.00 0.00 O ATOM 1153 CB ARG A 93 0.168 -27.187 -3.981 1.00 0.00 C ATOM 1154 CG ARG A 93 1.431 -26.523 -3.445 1.00 0.00 C ATOM 1155 CD ARG A 93 2.559 -27.536 -3.307 1.00 0.00 C ATOM 1156 NE ARG A 93 2.818 -28.211 -4.581 1.00 0.00 N ATOM 1157 CZ ARG A 93 3.138 -29.504 -4.728 1.00 0.00 C ATOM 1158 NH1 ARG A 93 3.470 -30.245 -3.671 1.00 0.00 N ATOM 1159 NH2 ARG A 93 3.189 -30.031 -5.945 1.00 0.00 N ATOM 0 H ARG A 93 -0.985 -26.055 -1.698 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.549 -28.301 -3.555 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.470 -28.019 -4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.345 -26.468 -4.619 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.737 -25.720 -4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.225 -26.068 -2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.464 -27.033 -2.967 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.300 -28.273 -2.547 1.00 0.00 H new ATOM 0 HE ARG A 93 2.749 -27.649 -5.429 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.482 -29.829 -2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.712 -31.228 -3.793 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.985 -29.453 -6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.432 -31.014 -6.065 1.00 0.00 H new ATOM 1173 N ALA A 94 -0.513 -28.299 -0.660 1.00 0.00 N ATOM 1174 CA ALA A 94 -0.096 -29.006 0.500 1.00 0.00 C ATOM 1175 C ALA A 94 1.387 -29.105 0.568 1.00 0.00 C ATOM 1176 O ALA A 94 1.950 -30.004 1.194 1.00 0.00 O ATOM 1177 CB ALA A 94 -0.808 -30.282 0.643 1.00 0.00 C ATOM 0 H ALA A 94 -1.024 -27.446 -0.432 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.382 -28.432 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.462 -30.793 1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.879 -30.094 0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.613 -30.907 -0.228 1.00 0.00 H new ATOM 1485 N GLU B 43 6.439 5.685 -1.351 1.00 0.00 N ATOM 1486 CA GLU B 43 5.194 5.280 -0.746 1.00 0.00 C ATOM 1487 C GLU B 43 4.152 4.970 -1.809 1.00 0.00 C ATOM 1488 O GLU B 43 3.257 4.175 -1.581 1.00 0.00 O ATOM 1489 CB GLU B 43 4.677 6.315 0.261 1.00 0.00 C ATOM 1490 CG GLU B 43 4.371 7.677 -0.324 1.00 0.00 C ATOM 1491 CD GLU B 43 3.814 8.619 0.700 1.00 0.00 C ATOM 1492 OE1 GLU B 43 2.589 8.567 0.963 1.00 0.00 O ATOM 1493 OE2 GLU B 43 4.573 9.425 1.268 1.00 0.00 O ATOM 0 HA GLU B 43 5.387 4.366 -0.184 1.00 0.00 H new ATOM 0 HB2 GLU B 43 3.773 5.925 0.728 1.00 0.00 H new ATOM 0 HB3 GLU B 43 5.419 6.433 1.051 1.00 0.00 H new ATOM 0 HG2 GLU B 43 5.281 8.101 -0.749 1.00 0.00 H new ATOM 0 HG3 GLU B 43 3.658 7.568 -1.141 1.00 0.00 H new ATOM 1500 N LYS B 44 4.304 5.559 -2.989 1.00 0.00 N ATOM 1501 CA LYS B 44 3.373 5.308 -4.077 1.00 0.00 C ATOM 1502 C LYS B 44 3.633 3.942 -4.658 1.00 0.00 C ATOM 1503 O LYS B 44 2.702 3.180 -4.922 1.00 0.00 O ATOM 1504 CB LYS B 44 3.473 6.382 -5.148 1.00 0.00 C ATOM 1505 CG LYS B 44 2.550 6.161 -6.325 1.00 0.00 C ATOM 1506 CD LYS B 44 2.439 7.390 -7.198 1.00 0.00 C ATOM 1507 CE LYS B 44 3.777 7.810 -7.781 1.00 0.00 C ATOM 1508 NZ LYS B 44 3.640 8.956 -8.703 1.00 0.00 N ATOM 0 H LYS B 44 5.058 6.208 -3.214 1.00 0.00 H new ATOM 0 HA LYS B 44 2.358 5.339 -3.682 1.00 0.00 H new ATOM 0 HB2 LYS B 44 3.249 7.350 -4.700 1.00 0.00 H new ATOM 0 HB3 LYS B 44 4.501 6.428 -5.508 1.00 0.00 H new ATOM 0 HG2 LYS B 44 2.917 5.325 -6.921 1.00 0.00 H new ATOM 0 HG3 LYS B 44 1.560 5.884 -5.962 1.00 0.00 H new ATOM 0 HD2 LYS B 44 1.738 7.194 -8.009 1.00 0.00 H new ATOM 0 HD3 LYS B 44 2.027 8.212 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS B 44 4.459 8.074 -6.972 1.00 0.00 H new ATOM 0 HE3 LYS B 44 4.222 6.968 -8.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 4.575 9.212 -9.080 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 3.010 8.696 -9.488 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 3.239 9.767 -8.191 1.00 0.00 H new ATOM 1522 N ARG B 45 4.907 3.630 -4.818 1.00 0.00 N ATOM 1523 CA ARG B 45 5.340 2.328 -5.293 1.00 0.00 C ATOM 1524 C ARG B 45 4.874 1.251 -4.337 1.00 0.00 C ATOM 1525 O ARG B 45 4.349 0.215 -4.761 1.00 0.00 O ATOM 1526 CB ARG B 45 6.853 2.305 -5.448 1.00 0.00 C ATOM 1527 CG ARG B 45 7.353 3.192 -6.575 1.00 0.00 C ATOM 1528 CD ARG B 45 8.860 3.351 -6.540 1.00 0.00 C ATOM 1529 NE ARG B 45 9.564 2.059 -6.553 1.00 0.00 N ATOM 1530 CZ ARG B 45 10.576 1.725 -7.367 1.00 0.00 C ATOM 1531 NH1 ARG B 45 10.947 2.535 -8.348 1.00 0.00 N ATOM 1532 NH2 ARG B 45 11.198 0.567 -7.205 1.00 0.00 N ATOM 0 H ARG B 45 5.673 4.275 -4.621 1.00 0.00 H new ATOM 0 HA ARG B 45 4.897 2.134 -6.270 1.00 0.00 H new ATOM 0 HB2 ARG B 45 7.312 2.624 -4.512 1.00 0.00 H new ATOM 0 HB3 ARG B 45 7.178 1.280 -5.630 1.00 0.00 H new ATOM 0 HG2 ARG B 45 7.055 2.766 -7.533 1.00 0.00 H new ATOM 0 HG3 ARG B 45 6.882 4.172 -6.502 1.00 0.00 H new ATOM 0 HD2 ARG B 45 9.179 3.944 -7.397 1.00 0.00 H new ATOM 0 HD3 ARG B 45 9.143 3.906 -5.646 1.00 0.00 H new ATOM 0 HE ARG B 45 9.255 1.355 -5.883 1.00 0.00 H new ATOM 0 HH11 ARG B 45 10.462 3.421 -8.489 1.00 0.00 H new ATOM 0 HH12 ARG B 45 11.718 2.272 -8.962 1.00 0.00 H new ATOM 0 HH21 ARG B 45 10.907 -0.069 -6.462 1.00 0.00 H new ATOM 0 HH22 ARG B 45 11.968 0.311 -7.823 1.00 0.00 H new ATOM 1546 N ARG B 46 5.031 1.519 -3.038 1.00 0.00 N ATOM 1547 CA ARG B 46 4.549 0.615 -2.016 1.00 0.00 C ATOM 1548 C ARG B 46 3.034 0.472 -2.126 1.00 0.00 C ATOM 1549 O ARG B 46 2.529 -0.634 -2.192 1.00 0.00 O ATOM 1550 CB ARG B 46 4.924 1.094 -0.604 1.00 0.00 C ATOM 1551 CG ARG B 46 4.398 0.172 0.495 1.00 0.00 C ATOM 1552 CD ARG B 46 4.654 0.717 1.886 1.00 0.00 C ATOM 1553 NE ARG B 46 6.064 0.646 2.286 1.00 0.00 N ATOM 1554 CZ ARG B 46 6.657 1.462 3.174 1.00 0.00 C ATOM 1555 NH1 ARG B 46 5.991 2.490 3.689 1.00 0.00 N ATOM 1556 NH2 ARG B 46 7.917 1.241 3.543 1.00 0.00 N ATOM 0 H ARG B 46 5.489 2.357 -2.679 1.00 0.00 H new ATOM 0 HA ARG B 46 5.026 -0.352 -2.177 1.00 0.00 H new ATOM 0 HB2 ARG B 46 6.009 1.163 -0.525 1.00 0.00 H new ATOM 0 HB3 ARG B 46 4.529 2.098 -0.449 1.00 0.00 H new ATOM 0 HG2 ARG B 46 3.327 0.024 0.358 1.00 0.00 H new ATOM 0 HG3 ARG B 46 4.869 -0.806 0.400 1.00 0.00 H new ATOM 0 HD2 ARG B 46 4.323 1.755 1.929 1.00 0.00 H new ATOM 0 HD3 ARG B 46 4.051 0.160 2.604 1.00 0.00 H new ATOM 0 HE ARG B 46 6.639 -0.079 1.857 1.00 0.00 H new ATOM 0 HH11 ARG B 46 5.025 2.663 3.411 1.00 0.00 H new ATOM 0 HH12 ARG B 46 6.446 3.106 4.363 1.00 0.00 H new ATOM 0 HH21 ARG B 46 8.432 0.452 3.152 1.00 0.00 H new ATOM 0 HH22 ARG B 46 8.367 1.860 4.217 1.00 0.00 H new ATOM 1570 N ARG B 47 2.334 1.607 -2.183 1.00 0.00 N ATOM 1571 CA ARG B 47 0.873 1.650 -2.252 1.00 0.00 C ATOM 1572 C ARG B 47 0.343 0.841 -3.432 1.00 0.00 C ATOM 1573 O ARG B 47 -0.559 0.020 -3.267 1.00 0.00 O ATOM 1574 CB ARG B 47 0.379 3.100 -2.335 1.00 0.00 C ATOM 1575 CG ARG B 47 -1.123 3.252 -2.181 1.00 0.00 C ATOM 1576 CD ARG B 47 -1.548 4.707 -2.252 1.00 0.00 C ATOM 1577 NE ARG B 47 -2.974 4.859 -1.957 1.00 0.00 N ATOM 1578 CZ ARG B 47 -3.640 6.022 -1.880 1.00 0.00 C ATOM 1579 NH1 ARG B 47 -3.044 7.181 -2.185 1.00 0.00 N ATOM 1580 NH2 ARG B 47 -4.919 6.019 -1.521 1.00 0.00 N ATOM 0 H ARG B 47 2.769 2.529 -2.183 1.00 0.00 H new ATOM 0 HA ARG B 47 0.488 1.198 -1.338 1.00 0.00 H new ATOM 0 HB2 ARG B 47 0.874 3.686 -1.561 1.00 0.00 H new ATOM 0 HB3 ARG B 47 0.680 3.521 -3.295 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -1.629 2.686 -2.964 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -1.436 2.827 -1.227 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -0.963 5.294 -1.544 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -1.336 5.102 -3.245 1.00 0.00 H new ATOM 0 HE ARG B 47 -3.509 4.006 -1.796 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -2.068 7.190 -2.482 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -3.566 8.055 -2.121 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -5.386 5.138 -1.307 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -5.434 6.898 -1.460 1.00 0.00 H new ATOM 1594 N ALA B 48 0.915 1.057 -4.600 1.00 0.00 N ATOM 1595 CA ALA B 48 0.534 0.356 -5.803 1.00 0.00 C ATOM 1596 C ALA B 48 0.717 -1.135 -5.615 1.00 0.00 C ATOM 1597 O ALA B 48 -0.208 -1.908 -5.846 1.00 0.00 O ATOM 1598 CB ALA B 48 1.351 0.857 -6.987 1.00 0.00 C ATOM 0 H ALA B 48 1.666 1.733 -4.738 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.519 0.551 -6.009 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.054 0.320 -7.888 1.00 0.00 H new ATOM 0 HB2 ALA B 48 1.174 1.924 -7.126 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.411 0.686 -6.796 1.00 0.00 H new ATOM 1604 N ARG B 49 1.887 -1.518 -5.108 1.00 0.00 N ATOM 1605 CA ARG B 49 2.220 -2.916 -4.880 1.00 0.00 C ATOM 1606 C ARG B 49 1.238 -3.545 -3.862 1.00 0.00 C ATOM 1607 O ARG B 49 0.860 -4.713 -3.992 1.00 0.00 O ATOM 1608 CB ARG B 49 3.659 -3.038 -4.373 1.00 0.00 C ATOM 1609 CG ARG B 49 4.215 -4.459 -4.357 1.00 0.00 C ATOM 1610 CD ARG B 49 4.710 -4.930 -5.737 1.00 0.00 C ATOM 1611 NE ARG B 49 3.691 -4.906 -6.811 1.00 0.00 N ATOM 1612 CZ ARG B 49 3.248 -6.001 -7.454 1.00 0.00 C ATOM 1613 NH1 ARG B 49 3.488 -7.213 -6.965 1.00 0.00 N ATOM 1614 NH2 ARG B 49 2.536 -5.877 -8.560 1.00 0.00 N ATOM 0 H ARG B 49 2.627 -0.867 -4.845 1.00 0.00 H new ATOM 0 HA ARG B 49 2.133 -3.454 -5.824 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.303 -2.418 -4.997 1.00 0.00 H new ATOM 0 HB3 ARG B 49 3.709 -2.632 -3.363 1.00 0.00 H new ATOM 0 HG2 ARG B 49 5.038 -4.513 -3.645 1.00 0.00 H new ATOM 0 HG3 ARG B 49 3.442 -5.141 -4.003 1.00 0.00 H new ATOM 0 HD2 ARG B 49 5.548 -4.302 -6.039 1.00 0.00 H new ATOM 0 HD3 ARG B 49 5.091 -5.947 -5.642 1.00 0.00 H new ATOM 0 HE ARG B 49 3.301 -4.003 -7.080 1.00 0.00 H new ATOM 0 HH11 ARG B 49 4.012 -7.318 -6.096 1.00 0.00 H new ATOM 0 HH12 ARG B 49 3.149 -8.039 -7.459 1.00 0.00 H new ATOM 0 HH21 ARG B 49 2.322 -4.950 -8.927 1.00 0.00 H new ATOM 0 HH22 ARG B 49 2.201 -6.708 -9.047 1.00 0.00 H new ATOM 1628 N ILE B 50 0.843 -2.758 -2.851 1.00 0.00 N ATOM 1629 CA ILE B 50 -0.152 -3.170 -1.858 1.00 0.00 C ATOM 1630 C ILE B 50 -1.455 -3.534 -2.552 1.00 0.00 C ATOM 1631 O ILE B 50 -1.975 -4.642 -2.379 1.00 0.00 O ATOM 1632 CB ILE B 50 -0.411 -2.034 -0.821 1.00 0.00 C ATOM 1633 CG1 ILE B 50 0.838 -1.804 0.034 1.00 0.00 C ATOM 1634 CG2 ILE B 50 -1.625 -2.347 0.057 1.00 0.00 C ATOM 1635 CD1 ILE B 50 0.790 -0.576 0.900 1.00 0.00 C ATOM 0 H ILE B 50 1.207 -1.817 -2.701 1.00 0.00 H new ATOM 0 HA ILE B 50 0.236 -4.040 -1.328 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.632 -1.118 -1.368 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.991 -2.675 0.671 1.00 0.00 H new ATOM 0 HG13 ILE B 50 1.704 -1.734 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.778 -1.536 0.769 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.510 -2.451 -0.570 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.452 -3.277 0.599 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.716 -0.495 1.469 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.671 0.307 0.272 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -0.053 -0.648 1.588 1.00 0.00 H new ATOM 1647 N ASN B 51 -1.944 -2.611 -3.367 1.00 0.00 N ATOM 1648 CA ASN B 51 -3.185 -2.807 -4.122 1.00 0.00 C ATOM 1649 C ASN B 51 -3.097 -4.035 -4.974 1.00 0.00 C ATOM 1650 O ASN B 51 -3.985 -4.872 -4.959 1.00 0.00 O ATOM 1651 CB ASN B 51 -3.504 -1.604 -5.014 1.00 0.00 C ATOM 1652 CG ASN B 51 -4.041 -0.417 -4.261 1.00 0.00 C ATOM 1653 OD1 ASN B 51 -5.243 -0.272 -4.097 1.00 0.00 O ATOM 1654 ND2 ASN B 51 -3.176 0.431 -3.796 1.00 0.00 N ATOM 0 H ASN B 51 -1.499 -1.707 -3.527 1.00 0.00 H new ATOM 0 HA ASN B 51 -3.986 -2.921 -3.391 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -2.600 -1.307 -5.545 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -4.232 -1.905 -5.767 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -3.493 1.249 -3.275 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -2.179 0.280 -3.951 1.00 0.00 H new ATOM 1661 N GLU B 52 -1.999 -4.154 -5.678 1.00 0.00 N ATOM 1662 CA GLU B 52 -1.753 -5.298 -6.557 1.00 0.00 C ATOM 1663 C GLU B 52 -1.795 -6.630 -5.801 1.00 0.00 C ATOM 1664 O GLU B 52 -2.370 -7.620 -6.291 1.00 0.00 O ATOM 1665 CB GLU B 52 -0.404 -5.178 -7.254 1.00 0.00 C ATOM 1666 CG GLU B 52 -0.232 -3.942 -8.110 1.00 0.00 C ATOM 1667 CD GLU B 52 -1.323 -3.775 -9.127 1.00 0.00 C ATOM 1668 OE1 GLU B 52 -1.573 -4.701 -9.915 1.00 0.00 O ATOM 1669 OE2 GLU B 52 -1.925 -2.687 -9.181 1.00 0.00 O ATOM 0 H GLU B 52 -1.244 -3.468 -5.666 1.00 0.00 H new ATOM 0 HA GLU B 52 -2.554 -5.288 -7.296 1.00 0.00 H new ATOM 0 HB2 GLU B 52 0.381 -5.189 -6.498 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -0.256 -6.058 -7.880 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -0.205 -3.062 -7.467 1.00 0.00 H new ATOM 0 HG3 GLU B 52 0.729 -3.992 -8.622 1.00 0.00 H new ATOM 1676 N SER B 53 -1.220 -6.652 -4.615 1.00 0.00 N ATOM 1677 CA SER B 53 -1.128 -7.864 -3.845 1.00 0.00 C ATOM 1678 C SER B 53 -2.479 -8.206 -3.207 1.00 0.00 C ATOM 1679 O SER B 53 -2.876 -9.362 -3.166 1.00 0.00 O ATOM 1680 CB SER B 53 -0.032 -7.721 -2.787 1.00 0.00 C ATOM 1681 OG SER B 53 1.199 -7.331 -3.392 1.00 0.00 O ATOM 0 H SER B 53 -0.808 -5.834 -4.166 1.00 0.00 H new ATOM 0 HA SER B 53 -0.863 -8.688 -4.507 1.00 0.00 H new ATOM 0 HB2 SER B 53 -0.330 -6.981 -2.045 1.00 0.00 H new ATOM 0 HB3 SER B 53 0.098 -8.666 -2.260 1.00 0.00 H new ATOM 0 HG SER B 53 1.155 -6.385 -3.642 1.00 0.00 H new ATOM 1687 N LEU B 54 -3.196 -7.191 -2.762 1.00 0.00 N ATOM 1688 CA LEU B 54 -4.479 -7.385 -2.133 1.00 0.00 C ATOM 1689 C LEU B 54 -5.518 -7.776 -3.185 1.00 0.00 C ATOM 1690 O LEU B 54 -6.385 -8.616 -2.938 1.00 0.00 O ATOM 1691 CB LEU B 54 -4.885 -6.087 -1.424 1.00 0.00 C ATOM 1692 CG LEU B 54 -5.773 -6.219 -0.183 1.00 0.00 C ATOM 1693 CD1 LEU B 54 -5.835 -4.896 0.538 1.00 0.00 C ATOM 1694 CD2 LEU B 54 -7.185 -6.690 -0.518 1.00 0.00 C ATOM 0 H LEU B 54 -2.903 -6.216 -2.828 1.00 0.00 H new ATOM 0 HA LEU B 54 -4.419 -8.189 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -3.975 -5.561 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -5.403 -5.455 -2.145 1.00 0.00 H new ATOM 0 HG LEU B 54 -5.324 -6.979 0.457 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -6.467 -4.992 1.421 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -4.831 -4.600 0.841 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -6.252 -4.139 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -7.770 -6.766 0.398 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -7.657 -5.975 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -7.138 -7.666 -1.000 1.00 0.00 H new ATOM 1706 N SER B 55 -5.412 -7.183 -4.358 1.00 0.00 N ATOM 1707 CA SER B 55 -6.339 -7.438 -5.423 1.00 0.00 C ATOM 1708 C SER B 55 -6.252 -8.911 -5.868 1.00 0.00 C ATOM 1709 O SER B 55 -7.279 -9.565 -6.044 1.00 0.00 O ATOM 1710 CB SER B 55 -6.098 -6.464 -6.591 1.00 0.00 C ATOM 1711 OG SER B 55 -7.191 -6.441 -7.489 1.00 0.00 O ATOM 0 H SER B 55 -4.679 -6.513 -4.591 1.00 0.00 H new ATOM 0 HA SER B 55 -7.353 -7.266 -5.063 1.00 0.00 H new ATOM 0 HB2 SER B 55 -5.928 -5.461 -6.199 1.00 0.00 H new ATOM 0 HB3 SER B 55 -5.194 -6.754 -7.126 1.00 0.00 H new ATOM 0 HG SER B 55 -7.004 -5.811 -8.216 1.00 0.00 H new ATOM 1717 N GLN B 56 -5.032 -9.449 -5.994 1.00 0.00 N ATOM 1718 CA GLN B 56 -4.873 -10.856 -6.385 1.00 0.00 C ATOM 1719 C GLN B 56 -5.307 -11.773 -5.238 1.00 0.00 C ATOM 1720 O GLN B 56 -5.892 -12.823 -5.471 1.00 0.00 O ATOM 1721 CB GLN B 56 -3.433 -11.168 -6.834 1.00 0.00 C ATOM 1722 CG GLN B 56 -2.404 -11.028 -5.745 1.00 0.00 C ATOM 1723 CD GLN B 56 -0.985 -11.197 -6.231 1.00 0.00 C ATOM 1724 OE1 GLN B 56 -0.441 -12.300 -6.249 1.00 0.00 O ATOM 1725 NE2 GLN B 56 -0.376 -10.107 -6.626 1.00 0.00 N ATOM 0 H GLN B 56 -4.159 -8.946 -5.835 1.00 0.00 H new ATOM 0 HA GLN B 56 -5.518 -11.042 -7.244 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -3.398 -12.186 -7.223 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -3.168 -10.503 -7.656 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -2.507 -10.046 -5.283 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -2.604 -11.767 -4.970 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -0.863 -9.211 -6.595 1.00 0.00 H new ATOM 0 HE22 GLN B 56 0.585 -10.154 -6.964 1.00 0.00 H new ATOM 1734 N LEU B 57 -5.046 -11.323 -4.009 1.00 0.00 N ATOM 1735 CA LEU B 57 -5.433 -12.011 -2.771 1.00 0.00 C ATOM 1736 C LEU B 57 -6.934 -12.259 -2.786 1.00 0.00 C ATOM 1737 O LEU B 57 -7.392 -13.402 -2.759 1.00 0.00 O ATOM 1738 CB LEU B 57 -4.981 -11.112 -1.584 1.00 0.00 C ATOM 1739 CG LEU B 57 -5.318 -11.522 -0.148 1.00 0.00 C ATOM 1740 CD1 LEU B 57 -4.233 -11.017 0.793 1.00 0.00 C ATOM 1741 CD2 LEU B 57 -6.623 -10.886 0.267 1.00 0.00 C ATOM 0 H LEU B 57 -4.548 -10.449 -3.841 1.00 0.00 H new ATOM 0 HA LEU B 57 -4.956 -12.986 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -3.898 -11.010 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -5.404 -10.121 -1.747 1.00 0.00 H new ATOM 0 HG LEU B 57 -5.391 -12.609 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -4.473 -11.309 1.815 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -3.274 -11.449 0.508 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.174 -9.930 0.730 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -6.862 -11.179 1.289 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -6.533 -9.801 0.212 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -7.418 -11.218 -0.400 1.00 0.00 H new ATOM 1753 N LYS B 58 -7.663 -11.171 -2.904 1.00 0.00 N ATOM 1754 CA LYS B 58 -9.121 -11.136 -3.040 1.00 0.00 C ATOM 1755 C LYS B 58 -9.607 -12.125 -4.103 1.00 0.00 C ATOM 1756 O LYS B 58 -10.538 -12.906 -3.886 1.00 0.00 O ATOM 1757 CB LYS B 58 -9.505 -9.716 -3.484 1.00 0.00 C ATOM 1758 CG LYS B 58 -10.963 -9.527 -3.882 1.00 0.00 C ATOM 1759 CD LYS B 58 -11.213 -8.132 -4.464 1.00 0.00 C ATOM 1760 CE LYS B 58 -10.381 -7.853 -5.737 1.00 0.00 C ATOM 1761 NZ LYS B 58 -10.667 -8.795 -6.847 1.00 0.00 N ATOM 0 H LYS B 58 -7.247 -10.240 -2.909 1.00 0.00 H new ATOM 0 HA LYS B 58 -9.578 -11.408 -2.089 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -9.275 -9.025 -2.673 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -8.876 -9.435 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -11.241 -10.283 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -11.601 -9.678 -3.011 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -12.272 -8.026 -4.698 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -10.976 -7.381 -3.710 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -10.577 -6.835 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -9.321 -7.907 -5.488 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -9.977 -9.573 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -11.626 -9.181 -6.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -10.599 -8.293 -7.755 1.00 0.00 H new ATOM 1775 N THR B 59 -8.939 -12.100 -5.218 1.00 0.00 N ATOM 1776 CA THR B 59 -9.332 -12.848 -6.362 1.00 0.00 C ATOM 1777 C THR B 59 -9.117 -14.352 -6.174 1.00 0.00 C ATOM 1778 O THR B 59 -10.053 -15.152 -6.362 1.00 0.00 O ATOM 1779 CB THR B 59 -8.565 -12.327 -7.576 1.00 0.00 C ATOM 1780 OG1 THR B 59 -8.820 -10.907 -7.671 1.00 0.00 O ATOM 1781 CG2 THR B 59 -9.046 -12.996 -8.842 1.00 0.00 C ATOM 0 H THR B 59 -8.092 -11.548 -5.354 1.00 0.00 H new ATOM 0 HA THR B 59 -10.403 -12.713 -6.516 1.00 0.00 H new ATOM 0 HB THR B 59 -7.502 -12.538 -7.460 1.00 0.00 H new ATOM 0 HG1 THR B 59 -8.159 -10.419 -7.137 1.00 0.00 H new ATOM 0 HG21 THR B 59 -8.486 -12.609 -9.693 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.893 -14.072 -8.765 1.00 0.00 H new ATOM 0 HG23 THR B 59 -10.107 -12.790 -8.982 1.00 0.00 H new ATOM 1789 N LEU B 60 -7.923 -14.726 -5.746 1.00 0.00 N ATOM 1790 CA LEU B 60 -7.577 -16.123 -5.605 1.00 0.00 C ATOM 1791 C LEU B 60 -8.341 -16.762 -4.464 1.00 0.00 C ATOM 1792 O LEU B 60 -8.654 -17.953 -4.515 1.00 0.00 O ATOM 1793 CB LEU B 60 -6.065 -16.318 -5.452 1.00 0.00 C ATOM 1794 CG LEU B 60 -5.206 -15.775 -6.607 1.00 0.00 C ATOM 1795 CD1 LEU B 60 -3.744 -16.102 -6.396 1.00 0.00 C ATOM 1796 CD2 LEU B 60 -5.687 -16.305 -7.948 1.00 0.00 C ATOM 0 H LEU B 60 -7.178 -14.077 -5.491 1.00 0.00 H new ATOM 0 HA LEU B 60 -7.873 -16.630 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -5.746 -15.836 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -5.863 -17.384 -5.342 1.00 0.00 H new ATOM 0 HG LEU B 60 -5.314 -14.690 -6.616 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.159 -15.707 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -3.401 -15.652 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.617 -17.183 -6.345 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -5.060 -15.903 -8.744 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -5.626 -17.393 -7.952 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.720 -15.999 -8.111 1.00 0.00 H new ATOM 1808 N ILE B 61 -8.656 -15.974 -3.450 1.00 0.00 N ATOM 1809 CA ILE B 61 -9.464 -16.443 -2.345 1.00 0.00 C ATOM 1810 C ILE B 61 -10.874 -16.750 -2.806 1.00 0.00 C ATOM 1811 O ILE B 61 -11.386 -17.839 -2.555 1.00 0.00 O ATOM 1812 CB ILE B 61 -9.472 -15.445 -1.147 1.00 0.00 C ATOM 1813 CG1 ILE B 61 -8.120 -15.476 -0.429 1.00 0.00 C ATOM 1814 CG2 ILE B 61 -10.625 -15.711 -0.161 1.00 0.00 C ATOM 1815 CD1 ILE B 61 -7.765 -16.833 0.169 1.00 0.00 C ATOM 0 H ILE B 61 -8.361 -15.001 -3.372 1.00 0.00 H new ATOM 0 HA ILE B 61 -9.007 -17.364 -1.983 1.00 0.00 H new ATOM 0 HB ILE B 61 -9.639 -14.448 -1.555 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -7.340 -15.186 -1.133 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -8.126 -14.731 0.366 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -10.582 -14.987 0.653 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -11.578 -15.616 -0.681 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -10.532 -16.719 0.244 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -6.794 -16.772 0.659 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -8.523 -17.118 0.899 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -7.725 -17.580 -0.623 1.00 0.00 H new ATOM 1827 N LEU B 62 -11.476 -15.833 -3.541 1.00 0.00 N ATOM 1828 CA LEU B 62 -12.842 -16.014 -3.993 1.00 0.00 C ATOM 1829 C LEU B 62 -12.927 -17.294 -4.844 1.00 0.00 C ATOM 1830 O LEU B 62 -13.858 -18.073 -4.706 1.00 0.00 O ATOM 1831 CB LEU B 62 -13.323 -14.769 -4.770 1.00 0.00 C ATOM 1832 CG LEU B 62 -14.853 -14.492 -4.822 1.00 0.00 C ATOM 1833 CD1 LEU B 62 -15.636 -15.588 -5.532 1.00 0.00 C ATOM 1834 CD2 LEU B 62 -15.400 -14.267 -3.416 1.00 0.00 C ATOM 0 H LEU B 62 -11.042 -14.959 -3.837 1.00 0.00 H new ATOM 0 HA LEU B 62 -13.505 -16.129 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU B 62 -12.839 -13.895 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU B 62 -12.963 -14.855 -5.795 1.00 0.00 H new ATOM 0 HG LEU B 62 -14.987 -13.586 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU B 62 -16.696 -15.335 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU B 62 -15.283 -15.680 -6.559 1.00 0.00 H new ATOM 0 HD13 LEU B 62 -15.490 -16.535 -5.012 1.00 0.00 H new ATOM 0 HD21 LEU B 62 -16.472 -14.074 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU B 62 -15.220 -15.155 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU B 62 -14.899 -13.411 -2.964 1.00 0.00 H new ATOM 1846 N ASP B 63 -11.907 -17.535 -5.642 1.00 0.00 N ATOM 1847 CA ASP B 63 -11.844 -18.729 -6.476 1.00 0.00 C ATOM 1848 C ASP B 63 -11.452 -19.979 -5.706 1.00 0.00 C ATOM 1849 O ASP B 63 -11.726 -21.074 -6.128 1.00 0.00 O ATOM 1850 CB ASP B 63 -10.943 -18.557 -7.688 1.00 0.00 C ATOM 1851 CG ASP B 63 -11.563 -17.729 -8.784 1.00 0.00 C ATOM 1852 OD1 ASP B 63 -12.736 -17.975 -9.139 1.00 0.00 O ATOM 1853 OD2 ASP B 63 -10.905 -16.816 -9.318 1.00 0.00 O ATOM 0 H ASP B 63 -11.101 -16.917 -5.734 1.00 0.00 H new ATOM 0 HA ASP B 63 -12.865 -18.868 -6.832 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -10.010 -18.090 -7.374 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -10.689 -19.540 -8.085 1.00 0.00 H new ATOM 1858 N ALA B 64 -10.777 -19.839 -4.618 1.00 0.00 N ATOM 1859 CA ALA B 64 -10.371 -21.014 -3.873 1.00 0.00 C ATOM 1860 C ALA B 64 -11.548 -21.643 -3.138 1.00 0.00 C ATOM 1861 O ALA B 64 -11.565 -22.851 -2.895 1.00 0.00 O ATOM 1862 CB ALA B 64 -9.240 -20.693 -2.921 1.00 0.00 C ATOM 0 H ALA B 64 -10.491 -18.946 -4.217 1.00 0.00 H new ATOM 0 HA ALA B 64 -10.004 -21.747 -4.591 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -8.957 -21.593 -2.376 1.00 0.00 H new ATOM 0 HB2 ALA B 64 -8.383 -20.325 -3.485 1.00 0.00 H new ATOM 0 HB3 ALA B 64 -9.565 -19.929 -2.215 1.00 0.00 H new ATOM 1868 N LEU B 65 -12.526 -20.830 -2.793 1.00 0.00 N ATOM 1869 CA LEU B 65 -13.674 -21.318 -2.028 1.00 0.00 C ATOM 1870 C LEU B 65 -14.922 -21.336 -2.875 1.00 0.00 C ATOM 1871 O LEU B 65 -15.805 -22.166 -2.665 1.00 0.00 O ATOM 1872 CB LEU B 65 -13.927 -20.478 -0.747 1.00 0.00 C ATOM 1873 CG LEU B 65 -12.786 -20.412 0.284 1.00 0.00 C ATOM 1874 CD1 LEU B 65 -11.609 -19.667 -0.275 1.00 0.00 C ATOM 1875 CD2 LEU B 65 -13.254 -19.749 1.555 1.00 0.00 C ATOM 0 H LEU B 65 -12.557 -19.837 -3.024 1.00 0.00 H new ATOM 0 HA LEU B 65 -13.431 -22.336 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -14.167 -19.459 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -14.810 -20.878 -0.249 1.00 0.00 H new ATOM 0 HG LEU B 65 -12.480 -21.433 0.512 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -10.814 -19.632 0.470 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -11.247 -20.176 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -11.910 -18.652 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -12.432 -19.713 2.270 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -13.589 -18.735 1.335 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -14.080 -20.319 1.980 1.00 0.00 H new ATOM 1887 N LYS B 66 -14.977 -20.408 -3.835 1.00 0.00 N ATOM 1888 CA LYS B 66 -16.105 -20.253 -4.755 1.00 0.00 C ATOM 1889 C LYS B 66 -17.343 -19.865 -4.013 1.00 0.00 C ATOM 1890 O LYS B 66 -18.262 -20.661 -3.807 1.00 0.00 O ATOM 1891 CB LYS B 66 -16.301 -21.495 -5.619 1.00 0.00 C ATOM 1892 CG LYS B 66 -15.078 -21.825 -6.443 1.00 0.00 C ATOM 1893 CD LYS B 66 -14.936 -20.936 -7.634 1.00 0.00 C ATOM 1894 CE LYS B 66 -13.605 -21.177 -8.235 1.00 0.00 C ATOM 1895 NZ LYS B 66 -13.412 -20.471 -9.515 1.00 0.00 N ATOM 0 H LYS B 66 -14.228 -19.734 -3.996 1.00 0.00 H new ATOM 0 HA LYS B 66 -15.876 -19.439 -5.443 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -16.544 -22.344 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -17.152 -21.341 -6.283 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -14.189 -21.737 -5.819 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -15.135 -22.863 -6.772 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -15.723 -21.143 -8.359 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -15.038 -19.891 -7.342 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -12.833 -20.861 -7.533 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -13.473 -22.247 -8.394 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -12.476 -20.705 -9.903 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -14.149 -20.764 -10.188 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -13.475 -19.445 -9.358 1.00 0.00 H new ATOM 1909 N LYS B 67 -17.313 -18.658 -3.527 1.00 0.00 N ATOM 1910 CA LYS B 67 -18.443 -18.112 -2.839 1.00 0.00 C ATOM 1911 C LYS B 67 -19.423 -17.514 -3.828 1.00 0.00 C ATOM 1912 O LYS B 67 -20.326 -18.198 -4.307 1.00 0.00 O ATOM 1913 CB LYS B 67 -18.019 -17.087 -1.785 1.00 0.00 C ATOM 1914 CG LYS B 67 -17.203 -17.676 -0.648 1.00 0.00 C ATOM 1915 CD LYS B 67 -16.864 -16.634 0.389 1.00 0.00 C ATOM 1916 CE LYS B 67 -16.163 -17.268 1.572 1.00 0.00 C ATOM 1917 NZ LYS B 67 -17.050 -18.180 2.333 1.00 0.00 N ATOM 0 H LYS B 67 -16.512 -18.031 -3.596 1.00 0.00 H new ATOM 0 HA LYS B 67 -18.942 -18.924 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS B 67 -17.437 -16.303 -2.269 1.00 0.00 H new ATOM 0 HB3 LYS B 67 -18.910 -16.614 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS B 67 -17.761 -18.487 -0.181 1.00 0.00 H new ATOM 0 HG3 LYS B 67 -16.284 -18.108 -1.044 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -16.225 -15.869 -0.052 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -17.774 -16.136 0.723 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -15.292 -17.822 1.221 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -15.796 -16.485 2.236 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -16.631 -18.375 3.265 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -17.981 -17.734 2.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -17.162 -19.072 1.810 1.00 0.00 H new ATOM 1931 N ASP B 68 -19.175 -16.285 -4.221 1.00 0.00 N ATOM 1932 CA ASP B 68 -20.050 -15.567 -5.130 1.00 0.00 C ATOM 1933 C ASP B 68 -19.302 -14.481 -5.804 1.00 0.00 C ATOM 1934 O ASP B 68 -18.478 -13.805 -5.185 1.00 0.00 O ATOM 1935 CB ASP B 68 -21.277 -14.952 -4.439 1.00 0.00 C ATOM 1936 CG ASP B 68 -22.479 -15.856 -4.340 1.00 0.00 C ATOM 1937 OD1 ASP B 68 -23.101 -16.161 -5.381 1.00 0.00 O ATOM 1938 OD2 ASP B 68 -22.884 -16.202 -3.221 1.00 0.00 O ATOM 0 H ASP B 68 -18.360 -15.751 -3.920 1.00 0.00 H new ATOM 0 HA ASP B 68 -20.408 -16.306 -5.847 1.00 0.00 H new ATOM 0 HB2 ASP B 68 -20.991 -14.643 -3.434 1.00 0.00 H new ATOM 0 HB3 ASP B 68 -21.564 -14.050 -4.980 1.00 0.00 H new ATOM 1943 N SER B 69 -19.617 -14.278 -7.033 1.00 0.00 N ATOM 1944 CA SER B 69 -18.978 -13.291 -7.847 1.00 0.00 C ATOM 1945 C SER B 69 -19.664 -11.938 -7.678 1.00 0.00 C ATOM 1946 O SER B 69 -19.077 -10.891 -7.941 1.00 0.00 O ATOM 1947 CB SER B 69 -19.006 -13.764 -9.294 1.00 0.00 C ATOM 1948 OG SER B 69 -20.307 -14.225 -9.630 1.00 0.00 O ATOM 0 H SER B 69 -20.344 -14.804 -7.518 1.00 0.00 H new ATOM 0 HA SER B 69 -17.940 -13.161 -7.540 1.00 0.00 H new ATOM 0 HB2 SER B 69 -18.718 -12.948 -9.957 1.00 0.00 H new ATOM 0 HB3 SER B 69 -18.280 -14.564 -9.438 1.00 0.00 H new ATOM 0 HG SER B 69 -20.317 -14.526 -10.563 1.00 0.00 H new ATOM 1954 N SER B 70 -20.895 -11.972 -7.219 1.00 0.00 N ATOM 1955 CA SER B 70 -21.653 -10.773 -6.982 1.00 0.00 C ATOM 1956 C SER B 70 -21.151 -10.083 -5.712 1.00 0.00 C ATOM 1957 O SER B 70 -20.904 -8.876 -5.698 1.00 0.00 O ATOM 1958 CB SER B 70 -23.145 -11.124 -6.872 1.00 0.00 C ATOM 1959 OG SER B 70 -23.960 -9.972 -6.717 1.00 0.00 O ATOM 0 H SER B 70 -21.395 -12.834 -7.001 1.00 0.00 H new ATOM 0 HA SER B 70 -21.522 -10.082 -7.815 1.00 0.00 H new ATOM 0 HB2 SER B 70 -23.455 -11.668 -7.764 1.00 0.00 H new ATOM 0 HB3 SER B 70 -23.297 -11.791 -6.023 1.00 0.00 H new ATOM 0 HG SER B 70 -24.900 -10.242 -6.653 1.00 0.00 H new ATOM 1965 N ARG B 71 -20.937 -10.862 -4.656 1.00 0.00 N ATOM 1966 CA ARG B 71 -20.497 -10.287 -3.394 1.00 0.00 C ATOM 1967 C ARG B 71 -19.002 -10.112 -3.350 1.00 0.00 C ATOM 1968 O ARG B 71 -18.471 -9.562 -2.400 1.00 0.00 O ATOM 1969 CB ARG B 71 -21.103 -11.020 -2.169 1.00 0.00 C ATOM 1970 CG ARG B 71 -20.654 -12.457 -1.921 1.00 0.00 C ATOM 1971 CD ARG B 71 -19.342 -12.527 -1.147 1.00 0.00 C ATOM 1972 NE ARG B 71 -19.392 -11.725 0.103 1.00 0.00 N ATOM 1973 CZ ARG B 71 -19.157 -12.190 1.345 1.00 0.00 C ATOM 1974 NH1 ARG B 71 -19.082 -13.496 1.575 1.00 0.00 N ATOM 1975 NH2 ARG B 71 -19.077 -11.339 2.360 1.00 0.00 N ATOM 0 H ARG B 71 -21.059 -11.875 -4.649 1.00 0.00 H new ATOM 0 HA ARG B 71 -20.900 -9.276 -3.329 1.00 0.00 H new ATOM 0 HB2 ARG B 71 -20.872 -10.436 -1.278 1.00 0.00 H new ATOM 0 HB3 ARG B 71 -22.188 -11.020 -2.278 1.00 0.00 H new ATOM 0 HG2 ARG B 71 -21.429 -12.987 -1.367 1.00 0.00 H new ATOM 0 HG3 ARG B 71 -20.538 -12.969 -2.876 1.00 0.00 H new ATOM 0 HD2 ARG B 71 -19.120 -13.566 -0.903 1.00 0.00 H new ATOM 0 HD3 ARG B 71 -18.529 -12.166 -1.777 1.00 0.00 H new ATOM 0 HE ARG B 71 -19.625 -10.736 0.013 1.00 0.00 H new ATOM 0 HH11 ARG B 71 -19.203 -14.157 0.807 1.00 0.00 H new ATOM 0 HH12 ARG B 71 -18.904 -13.838 2.519 1.00 0.00 H new ATOM 0 HH21 ARG B 71 -19.193 -10.339 2.197 1.00 0.00 H new ATOM 0 HH22 ARG B 71 -18.899 -11.685 3.303 1.00 0.00 H new ATOM 1989 N HIS B 72 -18.344 -10.551 -4.418 1.00 0.00 N ATOM 1990 CA HIS B 72 -16.910 -10.353 -4.617 1.00 0.00 C ATOM 1991 C HIS B 72 -16.602 -8.841 -4.538 1.00 0.00 C ATOM 1992 O HIS B 72 -15.657 -8.416 -3.888 1.00 0.00 O ATOM 1993 CB HIS B 72 -16.520 -10.907 -6.010 1.00 0.00 C ATOM 1994 CG HIS B 72 -15.040 -10.955 -6.330 1.00 0.00 C ATOM 1995 ND1 HIS B 72 -14.441 -11.995 -7.002 1.00 0.00 N ATOM 1996 CD2 HIS B 72 -14.054 -10.056 -6.106 1.00 0.00 C ATOM 1997 CE1 HIS B 72 -13.151 -11.704 -7.161 1.00 0.00 C ATOM 1998 NE2 HIS B 72 -12.862 -10.537 -6.636 1.00 0.00 N ATOM 0 H HIS B 72 -18.795 -11.060 -5.178 1.00 0.00 H new ATOM 0 HA HIS B 72 -16.339 -10.876 -3.850 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -16.921 -11.917 -6.100 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -17.013 -10.299 -6.769 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -14.905 -12.844 -7.324 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -14.174 -9.112 -5.595 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -12.437 -12.345 -7.657 1.00 0.00 H new ATOM 2006 N SER B 73 -17.451 -8.043 -5.160 1.00 0.00 N ATOM 2007 CA SER B 73 -17.277 -6.608 -5.189 1.00 0.00 C ATOM 2008 C SER B 73 -18.013 -5.911 -4.034 1.00 0.00 C ATOM 2009 O SER B 73 -18.091 -4.681 -3.969 1.00 0.00 O ATOM 2010 CB SER B 73 -17.715 -6.086 -6.552 1.00 0.00 C ATOM 2011 OG SER B 73 -18.948 -6.684 -6.938 1.00 0.00 O ATOM 0 H SER B 73 -18.278 -8.374 -5.657 1.00 0.00 H new ATOM 0 HA SER B 73 -16.222 -6.374 -5.043 1.00 0.00 H new ATOM 0 HB2 SER B 73 -17.824 -5.002 -6.516 1.00 0.00 H new ATOM 0 HB3 SER B 73 -16.949 -6.304 -7.296 1.00 0.00 H new ATOM 0 HG SER B 73 -19.219 -6.339 -7.814 1.00 0.00 H new ATOM 2017 N LYS B 74 -18.519 -6.695 -3.110 1.00 0.00 N ATOM 2018 CA LYS B 74 -19.201 -6.160 -1.936 1.00 0.00 C ATOM 2019 C LYS B 74 -18.369 -6.503 -0.699 1.00 0.00 C ATOM 2020 O LYS B 74 -18.764 -6.325 0.455 1.00 0.00 O ATOM 2021 CB LYS B 74 -20.633 -6.717 -1.827 1.00 0.00 C ATOM 2022 CG LYS B 74 -21.493 -6.184 -0.656 1.00 0.00 C ATOM 2023 CD LYS B 74 -21.743 -4.676 -0.715 1.00 0.00 C ATOM 2024 CE LYS B 74 -20.620 -3.876 -0.059 1.00 0.00 C ATOM 2025 NZ LYS B 74 -20.851 -2.427 -0.154 1.00 0.00 N ATOM 0 H LYS B 74 -18.475 -7.714 -3.142 1.00 0.00 H new ATOM 0 HA LYS B 74 -19.294 -5.077 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -21.155 -6.502 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -20.572 -7.802 -1.739 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -22.452 -6.703 -0.655 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -20.999 -6.425 0.285 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -21.846 -4.368 -1.755 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -22.687 -4.447 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -20.535 -4.162 0.989 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -19.671 -4.124 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -20.067 -1.920 0.303 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -20.907 -2.149 -1.155 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -21.743 -2.186 0.322 1.00 0.00 H new ATOM 2039 N LEU B 75 -17.227 -6.978 -0.962 1.00 0.00 N ATOM 2040 CA LEU B 75 -16.313 -7.348 0.051 1.00 0.00 C ATOM 2041 C LEU B 75 -15.444 -6.193 0.419 1.00 0.00 C ATOM 2042 O LEU B 75 -14.756 -5.599 -0.433 1.00 0.00 O ATOM 2043 CB LEU B 75 -15.532 -8.571 -0.370 1.00 0.00 C ATOM 2044 CG LEU B 75 -16.207 -9.896 -0.041 1.00 0.00 C ATOM 2045 CD1 LEU B 75 -15.868 -10.942 -1.071 1.00 0.00 C ATOM 2046 CD2 LEU B 75 -15.787 -10.356 1.348 1.00 0.00 C ATOM 0 H LEU B 75 -16.882 -7.129 -1.910 1.00 0.00 H new ATOM 0 HA LEU B 75 -16.859 -7.621 0.954 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -15.358 -8.523 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -14.555 -8.546 0.112 1.00 0.00 H new ATOM 0 HG LEU B 75 -17.287 -9.751 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -16.362 -11.879 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -16.208 -10.610 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -14.789 -11.095 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -16.272 -11.304 1.579 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -14.705 -10.485 1.377 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -16.083 -9.608 2.084 1.00 0.00 H new ATOM 2058 N GLU B 76 -15.528 -5.828 1.666 1.00 0.00 N ATOM 2059 CA GLU B 76 -14.765 -4.750 2.188 1.00 0.00 C ATOM 2060 C GLU B 76 -13.379 -5.262 2.490 1.00 0.00 C ATOM 2061 O GLU B 76 -13.199 -6.472 2.664 1.00 0.00 O ATOM 2062 CB GLU B 76 -15.409 -4.205 3.449 1.00 0.00 C ATOM 2063 CG GLU B 76 -16.887 -3.849 3.296 1.00 0.00 C ATOM 2064 CD GLU B 76 -17.384 -2.976 4.418 1.00 0.00 C ATOM 2065 OE1 GLU B 76 -16.717 -2.861 5.464 1.00 0.00 O ATOM 2066 OE2 GLU B 76 -18.439 -2.338 4.268 1.00 0.00 O ATOM 0 H GLU B 76 -16.136 -6.280 2.349 1.00 0.00 H new ATOM 0 HA GLU B 76 -14.718 -3.940 1.460 1.00 0.00 H new ATOM 0 HB2 GLU B 76 -15.305 -4.943 4.244 1.00 0.00 H new ATOM 0 HB3 GLU B 76 -14.864 -3.316 3.766 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -17.039 -3.337 2.346 1.00 0.00 H new ATOM 0 HG3 GLU B 76 -17.477 -4.765 3.262 1.00 0.00 H new ATOM 2073 N LYS B 77 -12.418 -4.364 2.563 1.00 0.00 N ATOM 2074 CA LYS B 77 -11.016 -4.709 2.783 1.00 0.00 C ATOM 2075 C LYS B 77 -10.834 -5.648 3.957 1.00 0.00 C ATOM 2076 O LYS B 77 -10.252 -6.719 3.821 1.00 0.00 O ATOM 2077 CB LYS B 77 -10.195 -3.445 2.992 1.00 0.00 C ATOM 2078 CG LYS B 77 -8.735 -3.721 3.292 1.00 0.00 C ATOM 2079 CD LYS B 77 -7.858 -2.473 3.248 1.00 0.00 C ATOM 2080 CE LYS B 77 -8.086 -1.618 2.004 1.00 0.00 C ATOM 2081 NZ LYS B 77 -7.836 -2.327 0.731 1.00 0.00 N ATOM 0 H LYS B 77 -12.583 -3.362 2.471 1.00 0.00 H new ATOM 0 HA LYS B 77 -10.665 -5.231 1.893 1.00 0.00 H new ATOM 0 HB2 LYS B 77 -10.264 -2.823 2.099 1.00 0.00 H new ATOM 0 HB3 LYS B 77 -10.626 -2.872 3.813 1.00 0.00 H new ATOM 0 HG2 LYS B 77 -8.655 -4.177 4.279 1.00 0.00 H new ATOM 0 HG3 LYS B 77 -8.356 -4.448 2.573 1.00 0.00 H new ATOM 0 HD2 LYS B 77 -8.051 -1.870 4.135 1.00 0.00 H new ATOM 0 HD3 LYS B 77 -6.811 -2.772 3.288 1.00 0.00 H new ATOM 0 HE2 LYS B 77 -9.114 -1.254 2.009 1.00 0.00 H new ATOM 0 HE3 LYS B 77 -7.438 -0.743 2.054 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 -8.473 -1.957 -0.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 -6.849 -2.179 0.440 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 -8.010 -3.344 0.860 1.00 0.00 H new ATOM 2095 N ALA B 78 -11.384 -5.255 5.069 1.00 0.00 N ATOM 2096 CA ALA B 78 -11.311 -6.004 6.317 1.00 0.00 C ATOM 2097 C ALA B 78 -11.861 -7.422 6.173 1.00 0.00 C ATOM 2098 O ALA B 78 -11.395 -8.355 6.833 1.00 0.00 O ATOM 2099 CB ALA B 78 -12.100 -5.272 7.361 1.00 0.00 C ATOM 0 H ALA B 78 -11.911 -4.386 5.149 1.00 0.00 H new ATOM 0 HA ALA B 78 -10.262 -6.087 6.602 1.00 0.00 H new ATOM 0 HB1 ALA B 78 -12.055 -5.820 8.302 1.00 0.00 H new ATOM 0 HB2 ALA B 78 -11.681 -4.276 7.501 1.00 0.00 H new ATOM 0 HB3 ALA B 78 -13.138 -5.187 7.040 1.00 0.00 H new ATOM 2105 N ASP B 79 -12.812 -7.574 5.284 1.00 0.00 N ATOM 2106 CA ASP B 79 -13.492 -8.847 5.084 1.00 0.00 C ATOM 2107 C ASP B 79 -12.644 -9.751 4.264 1.00 0.00 C ATOM 2108 O ASP B 79 -12.475 -10.922 4.572 1.00 0.00 O ATOM 2109 CB ASP B 79 -14.854 -8.642 4.424 1.00 0.00 C ATOM 2110 CG ASP B 79 -15.863 -8.051 5.376 1.00 0.00 C ATOM 2111 OD1 ASP B 79 -16.462 -8.808 6.170 1.00 0.00 O ATOM 2112 OD2 ASP B 79 -16.052 -6.823 5.393 1.00 0.00 O ATOM 0 H ASP B 79 -13.142 -6.825 4.676 1.00 0.00 H new ATOM 0 HA ASP B 79 -13.659 -9.307 6.058 1.00 0.00 H new ATOM 0 HB2 ASP B 79 -14.743 -7.986 3.561 1.00 0.00 H new ATOM 0 HB3 ASP B 79 -15.224 -9.598 4.052 1.00 0.00 H new ATOM 2117 N ILE B 80 -12.095 -9.186 3.233 1.00 0.00 N ATOM 2118 CA ILE B 80 -11.204 -9.872 2.322 1.00 0.00 C ATOM 2119 C ILE B 80 -9.960 -10.362 3.067 1.00 0.00 C ATOM 2120 O ILE B 80 -9.615 -11.542 2.990 1.00 0.00 O ATOM 2121 CB ILE B 80 -10.811 -8.917 1.183 1.00 0.00 C ATOM 2122 CG1 ILE B 80 -12.073 -8.456 0.476 1.00 0.00 C ATOM 2123 CG2 ILE B 80 -9.884 -9.608 0.205 1.00 0.00 C ATOM 2124 CD1 ILE B 80 -11.891 -7.249 -0.391 1.00 0.00 C ATOM 0 H ILE B 80 -12.253 -8.209 2.987 1.00 0.00 H new ATOM 0 HA ILE B 80 -11.711 -10.740 1.901 1.00 0.00 H new ATOM 0 HB ILE B 80 -10.283 -8.057 1.595 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -12.451 -9.274 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -12.835 -8.239 1.224 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -9.617 -8.916 -0.594 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -8.981 -9.929 0.724 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -10.386 -10.477 -0.220 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -12.841 -6.989 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -11.544 -6.413 0.217 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -11.154 -7.465 -1.165 1.00 0.00 H new ATOM 2136 N LEU B 81 -9.329 -9.458 3.814 1.00 0.00 N ATOM 2137 CA LEU B 81 -8.142 -9.780 4.624 1.00 0.00 C ATOM 2138 C LEU B 81 -8.418 -10.982 5.538 1.00 0.00 C ATOM 2139 O LEU B 81 -7.714 -11.992 5.491 1.00 0.00 O ATOM 2140 CB LEU B 81 -7.732 -8.563 5.481 1.00 0.00 C ATOM 2141 CG LEU B 81 -6.767 -7.504 4.876 1.00 0.00 C ATOM 2142 CD1 LEU B 81 -7.217 -6.996 3.511 1.00 0.00 C ATOM 2143 CD2 LEU B 81 -6.649 -6.333 5.836 1.00 0.00 C ATOM 0 H LEU B 81 -9.620 -8.483 3.879 1.00 0.00 H new ATOM 0 HA LEU B 81 -7.328 -10.033 3.945 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -8.645 -8.046 5.775 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -7.273 -8.943 6.393 1.00 0.00 H new ATOM 0 HG LEU B 81 -5.803 -7.991 4.731 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -6.502 -6.260 3.143 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -7.271 -7.831 2.812 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -8.200 -6.534 3.601 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -5.974 -5.586 5.418 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -7.632 -5.888 5.989 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.257 -6.683 6.791 1.00 0.00 H new ATOM 2155 N GLU B 82 -9.490 -10.884 6.297 1.00 0.00 N ATOM 2156 CA GLU B 82 -9.897 -11.920 7.234 1.00 0.00 C ATOM 2157 C GLU B 82 -10.296 -13.228 6.556 1.00 0.00 C ATOM 2158 O GLU B 82 -9.993 -14.288 7.065 1.00 0.00 O ATOM 2159 CB GLU B 82 -10.985 -11.372 8.173 1.00 0.00 C ATOM 2160 CG GLU B 82 -11.947 -12.363 8.782 1.00 0.00 C ATOM 2161 CD GLU B 82 -12.891 -11.700 9.757 1.00 0.00 C ATOM 2162 OE1 GLU B 82 -13.515 -10.673 9.415 1.00 0.00 O ATOM 2163 OE2 GLU B 82 -12.999 -12.161 10.902 1.00 0.00 O ATOM 0 H GLU B 82 -10.112 -10.076 6.283 1.00 0.00 H new ATOM 0 HA GLU B 82 -9.028 -12.186 7.836 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -10.490 -10.841 8.986 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -11.567 -10.636 7.619 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -12.521 -12.846 7.991 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -11.387 -13.146 9.293 1.00 0.00 H new ATOM 2170 N MET B 83 -10.895 -13.151 5.389 1.00 0.00 N ATOM 2171 CA MET B 83 -11.367 -14.346 4.692 1.00 0.00 C ATOM 2172 C MET B 83 -10.177 -15.161 4.241 1.00 0.00 C ATOM 2173 O MET B 83 -10.182 -16.384 4.298 1.00 0.00 O ATOM 2174 CB MET B 83 -12.256 -13.966 3.494 1.00 0.00 C ATOM 2175 CG MET B 83 -13.005 -15.139 2.856 1.00 0.00 C ATOM 2176 SD MET B 83 -14.039 -16.036 4.043 1.00 0.00 S ATOM 2177 CE MET B 83 -15.141 -14.731 4.609 1.00 0.00 C ATOM 0 H MET B 83 -11.071 -12.276 4.895 1.00 0.00 H new ATOM 0 HA MET B 83 -11.973 -14.943 5.374 1.00 0.00 H new ATOM 0 HB2 MET B 83 -12.983 -13.222 3.820 1.00 0.00 H new ATOM 0 HB3 MET B 83 -11.635 -13.492 2.734 1.00 0.00 H new ATOM 0 HG2 MET B 83 -13.630 -14.767 2.044 1.00 0.00 H new ATOM 0 HG3 MET B 83 -12.285 -15.828 2.414 1.00 0.00 H new ATOM 0 HE1 MET B 83 -15.982 -15.172 5.145 1.00 0.00 H new ATOM 0 HE2 MET B 83 -14.598 -14.060 5.274 1.00 0.00 H new ATOM 0 HE3 MET B 83 -15.512 -14.170 3.751 1.00 0.00 H new ATOM 2187 N THR B 84 -9.146 -14.454 3.867 1.00 0.00 N ATOM 2188 CA THR B 84 -7.900 -15.026 3.434 1.00 0.00 C ATOM 2189 C THR B 84 -7.211 -15.743 4.619 1.00 0.00 C ATOM 2190 O THR B 84 -6.774 -16.898 4.501 1.00 0.00 O ATOM 2191 CB THR B 84 -7.021 -13.886 2.881 1.00 0.00 C ATOM 2192 OG1 THR B 84 -7.809 -13.161 1.937 1.00 0.00 O ATOM 2193 CG2 THR B 84 -5.791 -14.408 2.158 1.00 0.00 C ATOM 0 H THR B 84 -9.150 -13.434 3.855 1.00 0.00 H new ATOM 0 HA THR B 84 -8.064 -15.768 2.653 1.00 0.00 H new ATOM 0 HB THR B 84 -6.686 -13.270 3.715 1.00 0.00 H new ATOM 0 HG1 THR B 84 -8.196 -12.372 2.371 1.00 0.00 H new ATOM 0 HG21 THR B 84 -5.204 -13.568 1.787 1.00 0.00 H new ATOM 0 HG22 THR B 84 -5.186 -14.997 2.848 1.00 0.00 H new ATOM 0 HG23 THR B 84 -6.099 -15.034 1.320 1.00 0.00 H new ATOM 2201 N VAL B 85 -7.185 -15.080 5.772 1.00 0.00 N ATOM 2202 CA VAL B 85 -6.584 -15.646 6.981 1.00 0.00 C ATOM 2203 C VAL B 85 -7.401 -16.849 7.458 1.00 0.00 C ATOM 2204 O VAL B 85 -6.853 -17.886 7.822 1.00 0.00 O ATOM 2205 CB VAL B 85 -6.546 -14.622 8.136 1.00 0.00 C ATOM 2206 CG1 VAL B 85 -5.833 -15.179 9.363 1.00 0.00 C ATOM 2207 CG2 VAL B 85 -5.916 -13.341 7.698 1.00 0.00 C ATOM 0 H VAL B 85 -7.575 -14.146 5.897 1.00 0.00 H new ATOM 0 HA VAL B 85 -5.566 -15.938 6.722 1.00 0.00 H new ATOM 0 HB VAL B 85 -7.579 -14.418 8.418 1.00 0.00 H new ATOM 0 HG11 VAL B 85 -5.828 -14.428 10.153 1.00 0.00 H new ATOM 0 HG12 VAL B 85 -6.354 -16.070 9.713 1.00 0.00 H new ATOM 0 HG13 VAL B 85 -4.807 -15.438 9.101 1.00 0.00 H new ATOM 0 HG21 VAL B 85 -5.903 -12.639 8.531 1.00 0.00 H new ATOM 0 HG22 VAL B 85 -4.895 -13.532 7.368 1.00 0.00 H new ATOM 0 HG23 VAL B 85 -6.490 -12.916 6.875 1.00 0.00 H new ATOM 2217 N LYS B 86 -8.711 -16.717 7.436 1.00 0.00 N ATOM 2218 CA LYS B 86 -9.574 -17.773 7.903 1.00 0.00 C ATOM 2219 C LYS B 86 -9.536 -18.984 6.984 1.00 0.00 C ATOM 2220 O LYS B 86 -9.624 -20.121 7.442 1.00 0.00 O ATOM 2221 CB LYS B 86 -10.995 -17.272 8.179 1.00 0.00 C ATOM 2222 CG LYS B 86 -11.018 -16.156 9.224 1.00 0.00 C ATOM 2223 CD LYS B 86 -12.393 -15.923 9.805 1.00 0.00 C ATOM 2224 CE LYS B 86 -12.271 -15.193 11.134 1.00 0.00 C ATOM 2225 NZ LYS B 86 -13.567 -14.734 11.664 1.00 0.00 N ATOM 0 H LYS B 86 -9.198 -15.887 7.099 1.00 0.00 H new ATOM 0 HA LYS B 86 -9.184 -18.111 8.863 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -11.438 -16.909 7.251 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -11.612 -18.103 8.523 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -10.326 -16.405 10.029 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -10.660 -15.232 8.770 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -12.997 -15.338 9.112 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -12.904 -16.875 9.948 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -11.801 -15.854 11.863 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -11.611 -14.334 11.010 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -13.619 -14.942 12.682 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -13.660 -13.709 11.515 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -14.338 -15.227 11.170 1.00 0.00 H new ATOM 2239 N HIS B 87 -9.334 -18.747 5.701 1.00 0.00 N ATOM 2240 CA HIS B 87 -9.193 -19.837 4.750 1.00 0.00 C ATOM 2241 C HIS B 87 -7.846 -20.549 4.957 1.00 0.00 C ATOM 2242 O HIS B 87 -7.724 -21.754 4.714 1.00 0.00 O ATOM 2243 CB HIS B 87 -9.335 -19.334 3.305 1.00 0.00 C ATOM 2244 CG HIS B 87 -9.222 -20.420 2.274 1.00 0.00 C ATOM 2245 ND1 HIS B 87 -8.382 -20.368 1.196 1.00 0.00 N ATOM 2246 CD2 HIS B 87 -9.877 -21.599 2.178 1.00 0.00 C ATOM 2247 CE1 HIS B 87 -8.542 -21.486 0.495 1.00 0.00 C ATOM 2248 NE2 HIS B 87 -9.438 -22.271 1.046 1.00 0.00 N ATOM 0 H HIS B 87 -9.264 -17.815 5.294 1.00 0.00 H new ATOM 0 HA HIS B 87 -9.995 -20.554 4.927 1.00 0.00 H new ATOM 0 HB2 HIS B 87 -10.300 -18.840 3.195 1.00 0.00 H new ATOM 0 HB3 HIS B 87 -8.569 -18.583 3.114 1.00 0.00 H new ATOM 0 HD2 HIS B 87 -10.622 -21.960 2.871 1.00 0.00 H new ATOM 0 HE1 HIS B 87 -8.004 -21.719 -0.412 1.00 0.00 H new ATOM 0 HE2 HIS B 87 -9.747 -23.184 0.712 1.00 0.00 H new ATOM 2256 N LEU B 88 -6.866 -19.806 5.463 1.00 0.00 N ATOM 2257 CA LEU B 88 -5.540 -20.327 5.738 1.00 0.00 C ATOM 2258 C LEU B 88 -5.712 -21.392 6.805 1.00 0.00 C ATOM 2259 O LEU B 88 -5.168 -22.487 6.712 1.00 0.00 O ATOM 2260 CB LEU B 88 -4.679 -19.145 6.260 1.00 0.00 C ATOM 2261 CG LEU B 88 -3.154 -19.278 6.454 1.00 0.00 C ATOM 2262 CD1 LEU B 88 -2.627 -17.951 6.937 1.00 0.00 C ATOM 2263 CD2 LEU B 88 -2.769 -20.343 7.463 1.00 0.00 C ATOM 0 H LEU B 88 -6.975 -18.818 5.694 1.00 0.00 H new ATOM 0 HA LEU B 88 -5.053 -20.758 4.863 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -4.839 -18.311 5.576 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -5.096 -18.852 7.224 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.725 -19.573 5.496 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -1.549 -18.019 7.082 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -2.846 -17.181 6.197 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -3.105 -17.692 7.882 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -1.683 -20.385 7.552 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -3.203 -20.100 8.433 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -3.143 -21.311 7.131 1.00 0.00 H new ATOM 2275 N ARG B 89 -6.550 -21.067 7.778 1.00 0.00 N ATOM 2276 CA ARG B 89 -6.815 -21.937 8.905 1.00 0.00 C ATOM 2277 C ARG B 89 -7.503 -23.197 8.411 1.00 0.00 C ATOM 2278 O ARG B 89 -7.148 -24.304 8.805 1.00 0.00 O ATOM 2279 CB ARG B 89 -7.723 -21.242 9.939 1.00 0.00 C ATOM 2280 CG ARG B 89 -7.406 -19.766 10.200 1.00 0.00 C ATOM 2281 CD ARG B 89 -5.950 -19.528 10.519 1.00 0.00 C ATOM 2282 NE ARG B 89 -5.529 -20.225 11.740 1.00 0.00 N ATOM 2283 CZ ARG B 89 -4.311 -20.731 11.959 1.00 0.00 C ATOM 2284 NH1 ARG B 89 -3.379 -20.676 11.016 1.00 0.00 N ATOM 2285 NH2 ARG B 89 -4.037 -21.295 13.112 1.00 0.00 N ATOM 0 H ARG B 89 -7.066 -20.187 7.805 1.00 0.00 H new ATOM 0 HA ARG B 89 -5.866 -22.182 9.383 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -8.757 -21.321 9.602 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -7.653 -21.784 10.882 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.682 -19.179 9.324 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -8.018 -19.409 11.028 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -5.337 -19.862 9.682 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -5.775 -18.458 10.635 1.00 0.00 H new ATOM 0 HE ARG B 89 -6.221 -20.332 12.481 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -3.589 -20.245 10.116 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -2.452 -21.064 11.192 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -4.752 -21.346 13.837 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -3.109 -21.682 13.283 1.00 0.00 H new ATOM 2299 N ASN B 90 -8.458 -23.010 7.496 1.00 0.00 N ATOM 2300 CA ASN B 90 -9.243 -24.109 6.932 1.00 0.00 C ATOM 2301 C ASN B 90 -8.358 -25.114 6.294 1.00 0.00 C ATOM 2302 O ASN B 90 -8.472 -26.313 6.553 1.00 0.00 O ATOM 2303 CB ASN B 90 -10.268 -23.648 5.898 1.00 0.00 C ATOM 2304 CG ASN B 90 -11.301 -22.689 6.415 1.00 0.00 C ATOM 2305 OD1 ASN B 90 -11.611 -22.662 7.606 1.00 0.00 O ATOM 2306 ND2 ASN B 90 -11.881 -21.933 5.523 1.00 0.00 N ATOM 0 H ASN B 90 -8.708 -22.093 7.126 1.00 0.00 H new ATOM 0 HA ASN B 90 -9.781 -24.546 7.773 1.00 0.00 H new ATOM 0 HB2 ASN B 90 -9.740 -23.178 5.069 1.00 0.00 H new ATOM 0 HB3 ASN B 90 -10.776 -24.524 5.496 1.00 0.00 H new ATOM 0 HD21 ASN B 90 -12.621 -21.289 5.803 1.00 0.00 H new ATOM 0 HD22 ASN B 90 -11.594 -21.986 4.546 1.00 0.00 H new ATOM 2313 N LEU B 91 -7.470 -24.633 5.474 1.00 0.00 N ATOM 2314 CA LEU B 91 -6.526 -25.479 4.829 1.00 0.00 C ATOM 2315 C LEU B 91 -5.657 -26.145 5.873 1.00 0.00 C ATOM 2316 O LEU B 91 -5.596 -27.341 5.937 1.00 0.00 O ATOM 2317 CB LEU B 91 -5.697 -24.675 3.838 1.00 0.00 C ATOM 2318 CG LEU B 91 -6.491 -24.023 2.701 1.00 0.00 C ATOM 2319 CD1 LEU B 91 -5.598 -23.142 1.865 1.00 0.00 C ATOM 2320 CD2 LEU B 91 -7.129 -25.084 1.828 1.00 0.00 C ATOM 0 H LEU B 91 -7.385 -23.644 5.238 1.00 0.00 H new ATOM 0 HA LEU B 91 -7.045 -26.257 4.268 1.00 0.00 H new ATOM 0 HB2 LEU B 91 -5.165 -23.895 4.382 1.00 0.00 H new ATOM 0 HB3 LEU B 91 -4.943 -25.331 3.403 1.00 0.00 H new ATOM 0 HG LEU B 91 -7.275 -23.408 3.143 1.00 0.00 H new ATOM 0 HD11 LEU B 91 -6.181 -22.689 1.063 1.00 0.00 H new ATOM 0 HD12 LEU B 91 -5.171 -22.358 2.491 1.00 0.00 H new ATOM 0 HD13 LEU B 91 -4.795 -23.741 1.435 1.00 0.00 H new ATOM 0 HD21 LEU B 91 -7.690 -24.606 1.025 1.00 0.00 H new ATOM 0 HD22 LEU B 91 -6.353 -25.719 1.401 1.00 0.00 H new ATOM 0 HD23 LEU B 91 -7.804 -25.692 2.430 1.00 0.00 H new ATOM 2332 N GLN B 92 -5.149 -25.369 6.796 1.00 0.00 N ATOM 2333 CA GLN B 92 -4.219 -25.867 7.832 1.00 0.00 C ATOM 2334 C GLN B 92 -4.838 -26.942 8.738 1.00 0.00 C ATOM 2335 O GLN B 92 -4.117 -27.694 9.403 1.00 0.00 O ATOM 2336 CB GLN B 92 -3.690 -24.713 8.682 1.00 0.00 C ATOM 2337 CG GLN B 92 -2.620 -23.867 8.020 1.00 0.00 C ATOM 2338 CD GLN B 92 -1.284 -24.560 7.895 1.00 0.00 C ATOM 2339 OE1 GLN B 92 -1.177 -25.790 7.781 1.00 0.00 O ATOM 2340 NE2 GLN B 92 -0.250 -23.790 7.911 1.00 0.00 N ATOM 0 H GLN B 92 -5.355 -24.373 6.869 1.00 0.00 H new ATOM 0 HA GLN B 92 -3.395 -26.339 7.297 1.00 0.00 H new ATOM 0 HB2 GLN B 92 -4.526 -24.068 8.953 1.00 0.00 H new ATOM 0 HB3 GLN B 92 -3.288 -25.120 9.610 1.00 0.00 H new ATOM 0 HG2 GLN B 92 -2.962 -23.577 7.027 1.00 0.00 H new ATOM 0 HG3 GLN B 92 -2.490 -22.949 8.593 1.00 0.00 H new ATOM 0 HE21 GLN B 92 -0.367 -22.781 8.006 1.00 0.00 H new ATOM 0 HE22 GLN B 92 0.685 -24.190 7.829 1.00 0.00 H new ATOM 2349 N ARG B 93 -6.148 -27.050 8.725 1.00 0.00 N ATOM 2350 CA ARG B 93 -6.841 -28.000 9.600 1.00 0.00 C ATOM 2351 C ARG B 93 -7.381 -29.165 8.819 1.00 0.00 C ATOM 2352 O ARG B 93 -7.992 -30.075 9.364 1.00 0.00 O ATOM 2353 CB ARG B 93 -7.917 -27.317 10.486 1.00 0.00 C ATOM 2354 CG ARG B 93 -9.019 -26.552 9.756 1.00 0.00 C ATOM 2355 CD ARG B 93 -10.117 -27.439 9.170 1.00 0.00 C ATOM 2356 NE ARG B 93 -11.199 -26.626 8.585 1.00 0.00 N ATOM 2357 CZ ARG B 93 -11.924 -26.950 7.504 1.00 0.00 C ATOM 2358 NH1 ARG B 93 -11.739 -28.118 6.896 1.00 0.00 N ATOM 2359 NH2 ARG B 93 -12.859 -26.111 7.055 1.00 0.00 N ATOM 0 H ARG B 93 -6.762 -26.499 8.125 1.00 0.00 H new ATOM 0 HA ARG B 93 -6.102 -28.399 10.295 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -8.386 -28.083 11.104 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -7.413 -26.626 11.162 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -9.472 -25.842 10.448 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -8.570 -25.970 8.951 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -9.693 -28.091 8.406 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -10.523 -28.084 9.949 1.00 0.00 H new ATOM 0 HE ARG B 93 -11.415 -25.740 9.042 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -11.043 -28.773 7.251 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -12.293 -28.359 6.074 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -13.021 -25.225 7.534 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -13.411 -26.356 6.233 1.00 0.00 H new ATOM 2373 N ALA B 94 -7.147 -29.132 7.542 1.00 0.00 N ATOM 2374 CA ALA B 94 -7.526 -30.211 6.677 1.00 0.00 C ATOM 2375 C ALA B 94 -6.285 -31.019 6.354 1.00 0.00 C ATOM 2376 O ALA B 94 -6.297 -31.889 5.496 1.00 0.00 O ATOM 2377 CB ALA B 94 -8.161 -29.664 5.404 1.00 0.00 C ATOM 0 H ALA B 94 -6.687 -28.355 7.068 1.00 0.00 H new ATOM 0 HA ALA B 94 -8.261 -30.849 7.168 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -8.445 -30.492 4.754 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -9.047 -29.083 5.660 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -7.446 -29.025 4.886 1.00 0.00 H new ATOM 2383 N GLN B 95 -5.206 -30.716 7.066 1.00 0.00 N ATOM 2384 CA GLN B 95 -3.944 -31.359 6.834 1.00 0.00 C ATOM 2385 C GLN B 95 -3.811 -32.533 7.769 1.00 0.00 C ATOM 2386 O GLN B 95 -3.550 -32.323 8.967 1.00 0.00 O ATOM 2387 CB GLN B 95 -2.744 -30.405 7.031 1.00 0.00 C ATOM 2388 CG GLN B 95 -2.771 -29.103 6.223 1.00 0.00 C ATOM 2389 CD GLN B 95 -3.156 -29.296 4.771 1.00 0.00 C ATOM 2390 OE1 GLN B 95 -2.312 -29.567 3.911 1.00 0.00 O ATOM 2391 NE2 GLN B 95 -4.406 -29.068 4.489 1.00 0.00 N ATOM 0 H GLN B 95 -5.193 -30.021 7.812 1.00 0.00 H new ATOM 0 HA GLN B 95 -3.927 -31.686 5.794 1.00 0.00 H new ATOM 0 HB2 GLN B 95 -2.680 -30.150 8.089 1.00 0.00 H new ATOM 0 HB3 GLN B 95 -1.832 -30.946 6.778 1.00 0.00 H new ATOM 0 HG2 GLN B 95 -3.474 -28.412 6.688 1.00 0.00 H new ATOM 0 HG3 GLN B 95 -1.787 -28.636 6.270 1.00 0.00 H new ATOM 0 HE21 GLN B 95 -5.065 -28.848 5.236 1.00 0.00 H new ATOM 0 HE22 GLN B 95 -4.726 -29.109 3.521 1.00 0.00 H new