USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=30 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 87 HIS : no HE2:sc= -2.31 K(o=-2.8,f=-6.3!) USER MOD Set 1.2: B 92 GLN : amide:sc= -0.478 K(o=-2.8,f=-5.8!) USER MOD Set 2.1: A 92 GLN : amide:sc= 0.00222 K(o=-2.9,f=-4.4!) USER MOD Set 2.2: B 87 HIS : no HE2:sc= -2.87! C(o=-2.9!,f=-6.5!) USER MOD Single : A 42 MET CE :methyl -164:sc= -0.0863 (180deg=-0.474) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0166 X(o=-0.017,f=-0.51) USER MOD Single : A 53 SER OG : rot 63:sc= 0.599 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.77 X(o=-0.77,f=-0.4) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1) USER MOD Single : A 67 LYS NZ :NH3+ 148:sc= -2.34! (180deg=-2.5!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= -1.59 X(o=-1.6,f=-2.1) USER MOD Single : A 73 SER OG : rot -95:sc= 1.24 USER MOD Single : A 74 LYS NZ :NH3+ -157:sc= 1.17 (180deg=0.565) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 163:sc= -0.153 (180deg=-0.797) USER MOD Single : A 84 THR OG1 : rot 88:sc= 0.0404 USER MOD Single : A 86 LYS NZ :NH3+ -159:sc= -0.0808 (180deg=-0.502) USER MOD Single : A 90 ASN : amide:sc= -0.0068 K(o=-0.0068,f=-0.75) USER MOD Single : B 44 LYS NZ :NH3+ -165:sc= -0.0161 (180deg=-0.232) USER MOD Single : B 51 ASN : amide:sc= 0.165 X(o=0.16,f=-0.016) USER MOD Single : B 53 SER OG : rot -85:sc= 1.02 USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 56 GLN : amide:sc= 0.022 X(o=0.022,f=-0.47) USER MOD Single : B 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 82:sc= 1.29 USER MOD Single : B 66 LYS NZ :NH3+ -154:sc= 1.2 (180deg=0.319) USER MOD Single : B 67 LYS NZ :NH3+ -163:sc= -0.0532 (180deg=-0.316) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 72 HIS : no HE2:sc= -1.61 K(o=-1.6,f=-4.6!) USER MOD Single : B 73 SER OG : rot 72:sc= 0.425 USER MOD Single : B 74 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.18) USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 MET CE :methyl 162:sc= -0.056 (180deg=-0.5) USER MOD Single : B 84 THR OG1 : rot 79:sc= -0.654 USER MOD Single : B 86 LYS NZ :NH3+ 179:sc= 0.186 (180deg=0.185) USER MOD Single : B 90 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B 95 GLN : amide:sc= 0.309 K(o=0.31,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 268 N MET A 42 -19.188 3.820 9.313 1.00 0.00 N ATOM 269 CA MET A 42 -19.051 2.465 8.776 1.00 0.00 C ATOM 270 C MET A 42 -17.677 2.219 8.229 1.00 0.00 C ATOM 271 O MET A 42 -17.099 1.156 8.444 1.00 0.00 O ATOM 272 CB MET A 42 -20.088 2.179 7.712 1.00 0.00 C ATOM 273 CG MET A 42 -21.501 2.210 8.231 1.00 0.00 C ATOM 274 SD MET A 42 -21.814 0.964 9.514 1.00 0.00 S ATOM 275 CE MET A 42 -21.531 -0.561 8.598 1.00 0.00 C ATOM 0 HA MET A 42 -19.215 1.784 9.611 1.00 0.00 H new ATOM 0 HB2 MET A 42 -19.987 2.911 6.911 1.00 0.00 H new ATOM 0 HB3 MET A 42 -19.890 1.200 7.276 1.00 0.00 H new ATOM 0 HG2 MET A 42 -21.712 3.200 8.635 1.00 0.00 H new ATOM 0 HG3 MET A 42 -22.190 2.051 7.402 1.00 0.00 H new ATOM 0 HE1 MET A 42 -21.952 -1.401 9.151 1.00 0.00 H new ATOM 0 HE2 MET A 42 -22.010 -0.493 7.621 1.00 0.00 H new ATOM 0 HE3 MET A 42 -20.460 -0.713 8.467 1.00 0.00 H new ATOM 285 N GLU A 43 -17.134 3.204 7.559 1.00 0.00 N ATOM 286 CA GLU A 43 -15.817 3.067 6.978 1.00 0.00 C ATOM 287 C GLU A 43 -14.747 3.039 8.064 1.00 0.00 C ATOM 288 O GLU A 43 -13.673 2.463 7.872 1.00 0.00 O ATOM 289 CB GLU A 43 -15.540 4.157 5.941 1.00 0.00 C ATOM 290 CG GLU A 43 -15.452 5.562 6.487 1.00 0.00 C ATOM 291 CD GLU A 43 -15.247 6.549 5.391 1.00 0.00 C ATOM 292 OE1 GLU A 43 -14.085 6.779 4.977 1.00 0.00 O ATOM 293 OE2 GLU A 43 -16.245 7.066 4.852 1.00 0.00 O ATOM 0 H GLU A 43 -17.580 4.108 7.401 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.783 2.114 6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -14.604 3.923 5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -16.327 4.127 5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -16.365 5.802 7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.630 5.628 7.199 1.00 0.00 H new ATOM 300 N LYS A 44 -15.061 3.637 9.211 1.00 0.00 N ATOM 301 CA LYS A 44 -14.162 3.641 10.352 1.00 0.00 C ATOM 302 C LYS A 44 -14.190 2.259 11.012 1.00 0.00 C ATOM 303 O LYS A 44 -13.153 1.735 11.438 1.00 0.00 O ATOM 304 CB LYS A 44 -14.561 4.789 11.321 1.00 0.00 C ATOM 305 CG LYS A 44 -13.687 4.992 12.578 1.00 0.00 C ATOM 306 CD LYS A 44 -14.037 4.050 13.740 1.00 0.00 C ATOM 307 CE LYS A 44 -15.459 4.283 14.251 1.00 0.00 C ATOM 308 NZ LYS A 44 -15.755 3.482 15.455 1.00 0.00 N ATOM 0 H LYS A 44 -15.941 4.128 9.371 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.134 3.832 10.043 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.562 5.722 10.757 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.586 4.613 11.648 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.641 4.847 12.308 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.789 6.023 12.916 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.933 3.015 13.413 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.329 4.199 14.555 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.593 5.341 14.478 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.172 4.032 13.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.729 3.671 15.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.653 2.471 15.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.092 3.739 16.214 1.00 0.00 H new ATOM 322 N ARG A 45 -15.374 1.665 11.056 1.00 0.00 N ATOM 323 CA ARG A 45 -15.556 0.318 11.600 1.00 0.00 C ATOM 324 C ARG A 45 -14.833 -0.680 10.707 1.00 0.00 C ATOM 325 O ARG A 45 -14.144 -1.589 11.186 1.00 0.00 O ATOM 326 CB ARG A 45 -17.044 -0.020 11.683 1.00 0.00 C ATOM 327 CG ARG A 45 -17.825 0.949 12.551 1.00 0.00 C ATOM 328 CD ARG A 45 -19.309 0.699 12.482 1.00 0.00 C ATOM 329 NE ARG A 45 -19.709 -0.556 13.121 1.00 0.00 N ATOM 330 CZ ARG A 45 -20.959 -1.042 13.140 1.00 0.00 C ATOM 331 NH1 ARG A 45 -21.910 -0.489 12.385 1.00 0.00 N ATOM 332 NH2 ARG A 45 -21.248 -2.104 13.886 1.00 0.00 N ATOM 0 H ARG A 45 -16.234 2.097 10.719 1.00 0.00 H new ATOM 0 HA ARG A 45 -15.139 0.270 12.606 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.467 -0.021 10.678 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -17.160 -1.029 12.079 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -17.490 0.861 13.585 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -17.614 1.970 12.234 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -19.834 1.527 12.960 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -19.621 0.684 11.438 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.983 -1.101 13.586 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -21.688 0.308 11.789 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -22.859 -0.864 12.404 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -20.519 -2.549 14.444 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -22.199 -2.474 13.901 1.00 0.00 H new ATOM 346 N ARG A 46 -14.971 -0.470 9.400 1.00 0.00 N ATOM 347 CA ARG A 46 -14.282 -1.262 8.404 1.00 0.00 C ATOM 348 C ARG A 46 -12.779 -1.144 8.608 1.00 0.00 C ATOM 349 O ARG A 46 -12.079 -2.141 8.642 1.00 0.00 O ATOM 350 CB ARG A 46 -14.623 -0.762 7.004 1.00 0.00 C ATOM 351 CG ARG A 46 -13.931 -1.542 5.896 1.00 0.00 C ATOM 352 CD ARG A 46 -14.065 -0.840 4.565 1.00 0.00 C ATOM 353 NE ARG A 46 -15.450 -0.705 4.133 1.00 0.00 N ATOM 354 CZ ARG A 46 -16.002 0.388 3.603 1.00 0.00 C ATOM 355 NH1 ARG A 46 -15.331 1.551 3.552 1.00 0.00 N ATOM 356 NH2 ARG A 46 -17.236 0.309 3.152 1.00 0.00 N ATOM 0 H ARG A 46 -15.568 0.259 9.008 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.596 -2.301 8.508 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -15.702 -0.820 6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.346 0.289 6.925 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.876 -1.666 6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.362 -2.541 5.828 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.613 0.149 4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.506 -1.393 3.810 1.00 0.00 H new ATOM 0 HE ARG A 46 -16.052 -1.520 4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.382 1.609 3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.770 2.376 3.143 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.746 -0.572 3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.683 1.129 2.742 1.00 0.00 H new ATOM 370 N ARG A 47 -12.311 0.098 8.751 1.00 0.00 N ATOM 371 CA ARG A 47 -10.896 0.428 8.932 1.00 0.00 C ATOM 372 C ARG A 47 -10.282 -0.357 10.073 1.00 0.00 C ATOM 373 O ARG A 47 -9.203 -0.930 9.920 1.00 0.00 O ATOM 374 CB ARG A 47 -10.744 1.924 9.168 1.00 0.00 C ATOM 375 CG ARG A 47 -9.318 2.427 9.220 1.00 0.00 C ATOM 376 CD ARG A 47 -9.321 3.914 9.456 1.00 0.00 C ATOM 377 NE ARG A 47 -7.985 4.490 9.474 1.00 0.00 N ATOM 378 CZ ARG A 47 -7.718 5.785 9.656 1.00 0.00 C ATOM 379 NH1 ARG A 47 -8.701 6.685 9.688 1.00 0.00 N ATOM 380 NH2 ARG A 47 -6.468 6.191 9.753 1.00 0.00 N ATOM 0 H ARG A 47 -12.917 0.918 8.744 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.362 0.151 8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.271 2.456 8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.237 2.179 10.106 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.771 1.922 10.017 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.805 2.197 8.286 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.909 4.399 8.677 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.814 4.125 10.405 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.196 3.859 9.338 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.670 6.387 9.573 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.485 7.672 9.828 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.706 5.516 9.689 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.262 7.180 9.892 1.00 0.00 H new ATOM 394 N ALA A 48 -10.996 -0.417 11.188 1.00 0.00 N ATOM 395 CA ALA A 48 -10.552 -1.161 12.344 1.00 0.00 C ATOM 396 C ALA A 48 -10.344 -2.616 11.967 1.00 0.00 C ATOM 397 O ALA A 48 -9.264 -3.165 12.173 1.00 0.00 O ATOM 398 CB ALA A 48 -11.558 -1.033 13.480 1.00 0.00 C ATOM 0 H ALA A 48 -11.895 0.049 11.311 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.603 -0.750 12.690 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.207 -1.600 14.342 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.665 0.016 13.755 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.523 -1.424 13.157 1.00 0.00 H new ATOM 404 N ARG A 49 -11.350 -3.199 11.317 1.00 0.00 N ATOM 405 CA ARG A 49 -11.301 -4.598 10.907 1.00 0.00 C ATOM 406 C ARG A 49 -10.219 -4.867 9.866 1.00 0.00 C ATOM 407 O ARG A 49 -9.673 -5.964 9.815 1.00 0.00 O ATOM 408 CB ARG A 49 -12.653 -5.094 10.404 1.00 0.00 C ATOM 409 CG ARG A 49 -13.696 -5.269 11.477 1.00 0.00 C ATOM 410 CD ARG A 49 -14.974 -5.846 10.899 1.00 0.00 C ATOM 411 NE ARG A 49 -15.888 -6.285 11.954 1.00 0.00 N ATOM 412 CZ ARG A 49 -16.848 -7.208 11.803 1.00 0.00 C ATOM 413 NH1 ARG A 49 -17.210 -7.625 10.585 1.00 0.00 N ATOM 414 NH2 ARG A 49 -17.471 -7.681 12.870 1.00 0.00 N ATOM 0 H ARG A 49 -12.213 -2.719 11.063 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.042 -5.160 11.805 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.030 -4.391 9.661 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.509 -6.048 9.896 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.315 -5.928 12.257 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.906 -4.308 11.946 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.465 -5.096 10.279 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.734 -6.688 10.250 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.787 -5.856 12.874 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.754 -7.240 9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.942 -8.328 10.483 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.220 -7.343 13.799 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.203 -8.384 12.764 1.00 0.00 H new ATOM 428 N ILE A 50 -9.931 -3.883 9.026 1.00 0.00 N ATOM 429 CA ILE A 50 -8.862 -3.988 8.045 1.00 0.00 C ATOM 430 C ILE A 50 -7.542 -4.238 8.763 1.00 0.00 C ATOM 431 O ILE A 50 -6.845 -5.230 8.501 1.00 0.00 O ATOM 432 CB ILE A 50 -8.772 -2.681 7.202 1.00 0.00 C ATOM 433 CG1 ILE A 50 -10.048 -2.510 6.375 1.00 0.00 C ATOM 434 CG2 ILE A 50 -7.532 -2.661 6.306 1.00 0.00 C ATOM 435 CD1 ILE A 50 -10.130 -1.214 5.614 1.00 0.00 C ATOM 0 H ILE A 50 -10.430 -2.993 9.006 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.073 -4.819 7.372 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.676 -1.841 7.890 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.121 -3.337 5.668 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.909 -2.581 7.040 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.510 -1.732 5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.636 -2.730 6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.566 -3.507 5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.066 -1.178 5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.092 -0.379 6.313 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.292 -1.146 4.920 1.00 0.00 H new ATOM 447 N ASN A 51 -7.262 -3.385 9.711 1.00 0.00 N ATOM 448 CA ASN A 51 -6.044 -3.452 10.499 1.00 0.00 C ATOM 449 C ASN A 51 -6.012 -4.741 11.292 1.00 0.00 C ATOM 450 O ASN A 51 -4.990 -5.430 11.329 1.00 0.00 O ATOM 451 CB ASN A 51 -5.965 -2.248 11.430 1.00 0.00 C ATOM 452 CG ASN A 51 -5.977 -0.942 10.673 1.00 0.00 C ATOM 453 OD1 ASN A 51 -5.452 -0.841 9.562 1.00 0.00 O ATOM 454 ND2 ASN A 51 -6.610 0.046 11.227 1.00 0.00 N ATOM 0 H ASN A 51 -7.876 -2.612 9.967 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.182 -3.435 9.832 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.805 -2.272 12.124 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.056 -2.312 12.028 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.685 0.940 10.742 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.033 -0.071 12.148 1.00 0.00 H new ATOM 461 N GLU A 52 -7.153 -5.085 11.890 1.00 0.00 N ATOM 462 CA GLU A 52 -7.287 -6.337 12.654 1.00 0.00 C ATOM 463 C GLU A 52 -6.948 -7.556 11.791 1.00 0.00 C ATOM 464 O GLU A 52 -6.186 -8.437 12.212 1.00 0.00 O ATOM 465 CB GLU A 52 -8.701 -6.536 13.217 1.00 0.00 C ATOM 466 CG GLU A 52 -9.199 -5.449 14.145 1.00 0.00 C ATOM 467 CD GLU A 52 -10.496 -5.827 14.807 1.00 0.00 C ATOM 468 OE1 GLU A 52 -11.530 -5.924 14.122 1.00 0.00 O ATOM 469 OE2 GLU A 52 -10.490 -6.075 16.029 1.00 0.00 O ATOM 0 H GLU A 52 -8.000 -4.518 11.863 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.583 -6.250 13.481 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.396 -6.621 12.381 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.728 -7.485 13.752 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.446 -5.250 14.908 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.334 -4.525 13.582 1.00 0.00 H new ATOM 476 N SER A 53 -7.479 -7.586 10.577 1.00 0.00 N ATOM 477 CA SER A 53 -7.307 -8.715 9.711 1.00 0.00 C ATOM 478 C SER A 53 -5.873 -8.817 9.253 1.00 0.00 C ATOM 479 O SER A 53 -5.283 -9.875 9.324 1.00 0.00 O ATOM 480 CB SER A 53 -8.245 -8.605 8.523 1.00 0.00 C ATOM 481 OG SER A 53 -9.586 -8.476 8.954 1.00 0.00 O ATOM 0 H SER A 53 -8.035 -6.829 10.179 1.00 0.00 H new ATOM 0 HA SER A 53 -7.550 -9.623 10.263 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.969 -7.744 7.914 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.144 -9.487 7.891 1.00 0.00 H new ATOM 0 HG SER A 53 -9.686 -7.649 9.470 1.00 0.00 H new ATOM 487 N LEU A 54 -5.311 -7.690 8.855 1.00 0.00 N ATOM 488 CA LEU A 54 -3.963 -7.620 8.336 1.00 0.00 C ATOM 489 C LEU A 54 -2.943 -7.994 9.441 1.00 0.00 C ATOM 490 O LEU A 54 -1.935 -8.662 9.180 1.00 0.00 O ATOM 491 CB LEU A 54 -3.741 -6.193 7.809 1.00 0.00 C ATOM 492 CG LEU A 54 -2.752 -6.010 6.656 1.00 0.00 C ATOM 493 CD1 LEU A 54 -2.888 -4.613 6.090 1.00 0.00 C ATOM 494 CD2 LEU A 54 -1.315 -6.247 7.085 1.00 0.00 C ATOM 0 H LEU A 54 -5.786 -6.788 8.885 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.819 -8.332 7.523 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.706 -5.799 7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.404 -5.576 8.642 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.993 -6.753 5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.183 -4.483 5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.904 -4.466 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.675 -3.882 6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.652 -6.105 6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.049 -5.541 7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.210 -7.265 7.460 1.00 0.00 H new ATOM 506 N SER A 55 -3.240 -7.594 10.665 1.00 0.00 N ATOM 507 CA SER A 55 -2.389 -7.860 11.803 1.00 0.00 C ATOM 508 C SER A 55 -2.277 -9.382 12.053 1.00 0.00 C ATOM 509 O SER A 55 -1.174 -9.948 12.087 1.00 0.00 O ATOM 510 CB SER A 55 -2.946 -7.131 13.039 1.00 0.00 C ATOM 511 OG SER A 55 -2.070 -7.225 14.148 1.00 0.00 O ATOM 0 H SER A 55 -4.086 -7.072 10.895 1.00 0.00 H new ATOM 0 HA SER A 55 -1.385 -7.487 11.600 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.113 -6.082 12.797 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.914 -7.555 13.305 1.00 0.00 H new ATOM 0 HG SER A 55 -2.457 -6.749 14.912 1.00 0.00 H new ATOM 517 N GLN A 56 -3.404 -10.052 12.172 1.00 0.00 N ATOM 518 CA GLN A 56 -3.389 -11.489 12.416 1.00 0.00 C ATOM 519 C GLN A 56 -2.926 -12.252 11.166 1.00 0.00 C ATOM 520 O GLN A 56 -2.348 -13.329 11.262 1.00 0.00 O ATOM 521 CB GLN A 56 -4.746 -11.969 12.928 1.00 0.00 C ATOM 522 CG GLN A 56 -5.888 -11.681 12.033 1.00 0.00 C ATOM 523 CD GLN A 56 -7.164 -11.999 12.723 1.00 0.00 C ATOM 524 OE1 GLN A 56 -7.252 -12.935 13.527 1.00 0.00 O ATOM 525 NE2 GLN A 56 -8.104 -11.184 12.541 1.00 0.00 N ATOM 0 H GLN A 56 -4.333 -9.637 12.106 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.663 -11.702 13.201 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.695 -13.045 13.093 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.937 -11.506 13.896 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.875 -10.631 11.739 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.802 -12.269 11.119 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.997 -10.424 11.870 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.974 -11.283 13.065 1.00 0.00 H new ATOM 534 N LEU A 57 -3.134 -11.638 10.018 1.00 0.00 N ATOM 535 CA LEU A 57 -2.713 -12.165 8.731 1.00 0.00 C ATOM 536 C LEU A 57 -1.195 -12.364 8.704 1.00 0.00 C ATOM 537 O LEU A 57 -0.725 -13.485 8.528 1.00 0.00 O ATOM 538 CB LEU A 57 -3.223 -11.211 7.625 1.00 0.00 C ATOM 539 CG LEU A 57 -2.817 -11.446 6.176 1.00 0.00 C ATOM 540 CD1 LEU A 57 -3.989 -11.113 5.258 1.00 0.00 C ATOM 541 CD2 LEU A 57 -1.664 -10.530 5.822 1.00 0.00 C ATOM 0 H LEU A 57 -3.611 -10.739 9.951 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.144 -13.150 8.553 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.312 -11.222 7.663 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.905 -10.203 7.893 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.525 -12.489 6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.698 -11.281 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.837 -11.751 5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.270 -10.068 5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.372 -10.697 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.971 -9.492 5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.818 -10.741 6.476 1.00 0.00 H new ATOM 553 N LYS A 58 -0.444 -11.286 8.947 1.00 0.00 N ATOM 554 CA LYS A 58 1.032 -11.358 8.975 1.00 0.00 C ATOM 555 C LYS A 58 1.506 -12.361 10.034 1.00 0.00 C ATOM 556 O LYS A 58 2.449 -13.128 9.803 1.00 0.00 O ATOM 557 CB LYS A 58 1.677 -9.967 9.248 1.00 0.00 C ATOM 558 CG LYS A 58 1.392 -9.394 10.629 1.00 0.00 C ATOM 559 CD LYS A 58 2.091 -8.075 10.881 1.00 0.00 C ATOM 560 CE LYS A 58 1.823 -7.596 12.307 1.00 0.00 C ATOM 561 NZ LYS A 58 2.490 -6.310 12.606 1.00 0.00 N ATOM 0 H LYS A 58 -0.824 -10.357 9.127 1.00 0.00 H new ATOM 0 HA LYS A 58 1.353 -11.693 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.756 -10.051 9.120 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.320 -9.263 8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.317 -9.256 10.744 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.704 -10.114 11.386 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.164 -8.188 10.724 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.742 -7.328 10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.749 -7.488 12.455 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.167 -8.353 13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.278 -6.028 13.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.518 -6.417 12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.144 -5.579 11.952 1.00 0.00 H new ATOM 575 N THR A 59 0.788 -12.377 11.161 1.00 0.00 N ATOM 576 CA THR A 59 1.119 -13.206 12.301 1.00 0.00 C ATOM 577 C THR A 59 1.143 -14.699 11.929 1.00 0.00 C ATOM 578 O THR A 59 2.183 -15.361 12.011 1.00 0.00 O ATOM 579 CB THR A 59 0.101 -12.960 13.440 1.00 0.00 C ATOM 580 OG1 THR A 59 0.086 -11.556 13.781 1.00 0.00 O ATOM 581 CG2 THR A 59 0.441 -13.782 14.683 1.00 0.00 C ATOM 0 H THR A 59 -0.046 -11.806 11.299 1.00 0.00 H new ATOM 0 HA THR A 59 2.119 -12.932 12.637 1.00 0.00 H new ATOM 0 HB THR A 59 -0.882 -13.271 13.086 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.518 -11.078 13.174 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.295 -13.584 15.462 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.428 -14.843 14.432 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.433 -13.506 15.042 1.00 0.00 H new ATOM 589 N LEU A 60 0.017 -15.201 11.461 1.00 0.00 N ATOM 590 CA LEU A 60 -0.108 -16.615 11.166 1.00 0.00 C ATOM 591 C LEU A 60 0.745 -17.047 9.985 1.00 0.00 C ATOM 592 O LEU A 60 1.172 -18.197 9.927 1.00 0.00 O ATOM 593 CB LEU A 60 -1.577 -17.052 10.988 1.00 0.00 C ATOM 594 CG LEU A 60 -2.439 -17.233 12.263 1.00 0.00 C ATOM 595 CD1 LEU A 60 -1.813 -18.248 13.200 1.00 0.00 C ATOM 596 CD2 LEU A 60 -2.696 -15.922 12.989 1.00 0.00 C ATOM 0 H LEU A 60 -0.823 -14.652 11.277 1.00 0.00 H new ATOM 0 HA LEU A 60 0.279 -17.134 12.043 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.070 -16.316 10.353 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.581 -17.997 10.444 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.408 -17.608 11.933 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.437 -18.357 14.087 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.732 -19.209 12.693 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.820 -17.908 13.494 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.304 -16.109 13.874 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.746 -15.480 13.289 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.222 -15.236 12.325 1.00 0.00 H new ATOM 608 N ILE A 61 1.007 -16.139 9.069 1.00 0.00 N ATOM 609 CA ILE A 61 1.828 -16.462 7.920 1.00 0.00 C ATOM 610 C ILE A 61 3.287 -16.638 8.316 1.00 0.00 C ATOM 611 O ILE A 61 3.886 -17.706 8.090 1.00 0.00 O ATOM 612 CB ILE A 61 1.718 -15.391 6.806 1.00 0.00 C ATOM 613 CG1 ILE A 61 0.290 -15.346 6.265 1.00 0.00 C ATOM 614 CG2 ILE A 61 2.726 -15.649 5.675 1.00 0.00 C ATOM 615 CD1 ILE A 61 -0.203 -16.659 5.693 1.00 0.00 C ATOM 0 H ILE A 61 0.667 -15.178 9.096 1.00 0.00 H new ATOM 0 HA ILE A 61 1.449 -17.405 7.525 1.00 0.00 H new ATOM 0 HB ILE A 61 1.961 -14.421 7.240 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.380 -15.039 7.068 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.232 -14.581 5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.621 -14.879 4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.739 -15.625 6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.535 -16.627 5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.224 -16.538 5.332 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.441 -16.960 4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.181 -17.425 6.468 1.00 0.00 H new ATOM 627 N LEU A 62 3.843 -15.625 8.956 1.00 0.00 N ATOM 628 CA LEU A 62 5.254 -15.624 9.287 1.00 0.00 C ATOM 629 C LEU A 62 5.556 -16.801 10.203 1.00 0.00 C ATOM 630 O LEU A 62 6.544 -17.523 10.003 1.00 0.00 O ATOM 631 CB LEU A 62 5.649 -14.282 9.944 1.00 0.00 C ATOM 632 CG LEU A 62 7.137 -13.843 9.858 1.00 0.00 C ATOM 633 CD1 LEU A 62 8.089 -14.801 10.556 1.00 0.00 C ATOM 634 CD2 LEU A 62 7.552 -13.630 8.409 1.00 0.00 C ATOM 0 H LEU A 62 3.337 -14.792 9.257 1.00 0.00 H new ATOM 0 HA LEU A 62 5.845 -15.731 8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.042 -13.497 9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.375 -14.332 10.998 1.00 0.00 H new ATOM 0 HG LEU A 62 7.209 -12.897 10.394 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.111 -14.435 10.458 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.828 -14.868 11.612 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.012 -15.788 10.099 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.597 -13.323 8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.427 -14.560 7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.930 -12.854 7.963 1.00 0.00 H new ATOM 646 N ASP A 63 4.664 -17.047 11.131 1.00 0.00 N ATOM 647 CA ASP A 63 4.832 -18.110 12.083 1.00 0.00 C ATOM 648 C ASP A 63 4.596 -19.477 11.511 1.00 0.00 C ATOM 649 O ASP A 63 5.090 -20.457 12.041 1.00 0.00 O ATOM 650 CB ASP A 63 4.019 -17.928 13.334 1.00 0.00 C ATOM 651 CG ASP A 63 4.599 -16.895 14.285 1.00 0.00 C ATOM 652 OD1 ASP A 63 4.345 -15.699 14.143 1.00 0.00 O ATOM 653 OD2 ASP A 63 5.335 -17.286 15.215 1.00 0.00 O ATOM 0 H ASP A 63 3.802 -16.514 11.245 1.00 0.00 H new ATOM 0 HA ASP A 63 5.885 -18.045 12.356 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.006 -17.631 13.061 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.942 -18.884 13.851 1.00 0.00 H new ATOM 658 N ALA A 64 3.835 -19.581 10.473 1.00 0.00 N ATOM 659 CA ALA A 64 3.586 -20.885 9.922 1.00 0.00 C ATOM 660 C ALA A 64 4.790 -21.423 9.169 1.00 0.00 C ATOM 661 O ALA A 64 5.071 -22.622 9.221 1.00 0.00 O ATOM 662 CB ALA A 64 2.349 -20.908 9.061 1.00 0.00 C ATOM 0 H ALA A 64 3.381 -18.804 9.993 1.00 0.00 H new ATOM 0 HA ALA A 64 3.406 -21.550 10.767 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.199 -21.913 8.666 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.484 -20.621 9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.468 -20.207 8.235 1.00 0.00 H new ATOM 668 N LEU A 65 5.511 -20.547 8.492 1.00 0.00 N ATOM 669 CA LEU A 65 6.662 -21.008 7.709 1.00 0.00 C ATOM 670 C LEU A 65 7.947 -20.778 8.441 1.00 0.00 C ATOM 671 O LEU A 65 8.965 -21.382 8.119 1.00 0.00 O ATOM 672 CB LEU A 65 6.725 -20.398 6.305 1.00 0.00 C ATOM 673 CG LEU A 65 5.483 -20.575 5.437 1.00 0.00 C ATOM 674 CD1 LEU A 65 4.428 -19.573 5.825 1.00 0.00 C ATOM 675 CD2 LEU A 65 5.824 -20.480 3.964 1.00 0.00 C ATOM 0 H LEU A 65 5.335 -19.543 8.462 1.00 0.00 H new ATOM 0 HA LEU A 65 6.520 -22.081 7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.925 -19.331 6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.575 -20.834 5.780 1.00 0.00 H new ATOM 0 HG LEU A 65 5.082 -21.574 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.547 -19.711 5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.155 -19.718 6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.817 -18.564 5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.918 -20.610 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.258 -19.503 3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.541 -21.259 3.706 1.00 0.00 H new ATOM 687 N LYS A 66 7.897 -19.873 9.415 1.00 0.00 N ATOM 688 CA LYS A 66 9.020 -19.588 10.294 1.00 0.00 C ATOM 689 C LYS A 66 10.207 -19.024 9.524 1.00 0.00 C ATOM 690 O LYS A 66 11.337 -19.498 9.658 1.00 0.00 O ATOM 691 CB LYS A 66 9.394 -20.845 11.090 1.00 0.00 C ATOM 692 CG LYS A 66 8.302 -21.380 12.040 1.00 0.00 C ATOM 693 CD LYS A 66 8.299 -20.703 13.392 1.00 0.00 C ATOM 694 CE LYS A 66 7.500 -19.433 13.372 1.00 0.00 C ATOM 695 NZ LYS A 66 7.442 -18.788 14.699 1.00 0.00 N ATOM 0 H LYS A 66 7.068 -19.314 9.615 1.00 0.00 H new ATOM 0 HA LYS A 66 8.720 -18.816 11.002 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.657 -21.635 10.386 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.287 -20.630 11.676 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.326 -21.246 11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.445 -22.452 12.179 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.886 -21.382 14.138 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.324 -20.484 13.692 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.939 -18.741 12.653 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.488 -19.648 13.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.760 -18.003 14.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.143 -19.485 15.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.383 -18.421 14.948 1.00 0.00 H new ATOM 709 N LYS A 67 9.922 -18.024 8.692 1.00 0.00 N ATOM 710 CA LYS A 67 10.941 -17.298 7.970 1.00 0.00 C ATOM 711 C LYS A 67 11.961 -16.675 8.907 1.00 0.00 C ATOM 712 O LYS A 67 13.059 -17.200 9.063 1.00 0.00 O ATOM 713 CB LYS A 67 10.279 -16.249 7.114 1.00 0.00 C ATOM 714 CG LYS A 67 9.535 -16.851 5.963 1.00 0.00 C ATOM 715 CD LYS A 67 8.645 -15.858 5.291 1.00 0.00 C ATOM 716 CE LYS A 67 8.167 -16.389 3.967 1.00 0.00 C ATOM 717 NZ LYS A 67 7.431 -17.662 4.057 1.00 0.00 N ATOM 0 H LYS A 67 8.973 -17.701 8.506 1.00 0.00 H new ATOM 0 HA LYS A 67 11.488 -17.996 7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.591 -15.665 7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.034 -15.560 6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.247 -17.248 5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.938 -17.692 6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.790 -15.636 5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.183 -14.922 5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.524 -15.643 3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.027 -16.525 3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.709 -17.699 3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.093 -18.455 3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.970 -17.732 4.987 1.00 0.00 H new ATOM 731 N ASP A 68 11.593 -15.573 9.533 1.00 0.00 N ATOM 732 CA ASP A 68 12.432 -14.916 10.486 1.00 0.00 C ATOM 733 C ASP A 68 11.625 -13.909 11.171 1.00 0.00 C ATOM 734 O ASP A 68 10.923 -13.123 10.519 1.00 0.00 O ATOM 735 CB ASP A 68 13.590 -14.244 9.831 1.00 0.00 C ATOM 736 CG ASP A 68 14.460 -13.541 10.804 1.00 0.00 C ATOM 737 OD1 ASP A 68 15.043 -14.196 11.697 1.00 0.00 O ATOM 738 OD2 ASP A 68 14.510 -12.334 10.745 1.00 0.00 O ATOM 0 H ASP A 68 10.694 -15.114 9.385 1.00 0.00 H new ATOM 0 HA ASP A 68 12.827 -15.658 11.180 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.179 -14.985 9.291 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.223 -13.530 9.094 1.00 0.00 H new ATOM 743 N SER A 69 11.696 -13.903 12.445 1.00 0.00 N ATOM 744 CA SER A 69 10.885 -13.027 13.188 1.00 0.00 C ATOM 745 C SER A 69 11.538 -11.652 13.361 1.00 0.00 C ATOM 746 O SER A 69 10.871 -10.676 13.709 1.00 0.00 O ATOM 747 CB SER A 69 10.468 -13.665 14.496 1.00 0.00 C ATOM 748 OG SER A 69 9.777 -14.887 14.253 1.00 0.00 O ATOM 0 H SER A 69 12.312 -14.499 12.997 1.00 0.00 H new ATOM 0 HA SER A 69 9.971 -12.842 12.624 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.347 -13.853 15.113 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.827 -12.982 15.053 1.00 0.00 H new ATOM 0 HG SER A 69 9.515 -15.290 15.107 1.00 0.00 H new ATOM 754 N SER A 70 12.819 -11.585 13.094 1.00 0.00 N ATOM 755 CA SER A 70 13.560 -10.364 13.157 1.00 0.00 C ATOM 756 C SER A 70 13.149 -9.485 11.979 1.00 0.00 C ATOM 757 O SER A 70 12.763 -8.330 12.163 1.00 0.00 O ATOM 758 CB SER A 70 15.063 -10.679 13.121 1.00 0.00 C ATOM 759 OG SER A 70 15.873 -9.512 13.224 1.00 0.00 O ATOM 0 H SER A 70 13.379 -12.394 12.823 1.00 0.00 H new ATOM 0 HA SER A 70 13.349 -9.830 14.084 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.307 -11.359 13.938 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.299 -11.199 12.192 1.00 0.00 H new ATOM 0 HG SER A 70 16.819 -9.767 13.198 1.00 0.00 H new ATOM 765 N ARG A 71 13.153 -10.061 10.772 1.00 0.00 N ATOM 766 CA ARG A 71 12.753 -9.320 9.575 1.00 0.00 C ATOM 767 C ARG A 71 11.268 -9.078 9.566 1.00 0.00 C ATOM 768 O ARG A 71 10.778 -8.247 8.831 1.00 0.00 O ATOM 769 CB ARG A 71 13.275 -9.977 8.262 1.00 0.00 C ATOM 770 CG ARG A 71 12.726 -11.367 7.906 1.00 0.00 C ATOM 771 CD ARG A 71 11.467 -11.321 7.026 1.00 0.00 C ATOM 772 NE ARG A 71 11.685 -10.518 5.790 1.00 0.00 N ATOM 773 CZ ARG A 71 10.780 -10.274 4.808 1.00 0.00 C ATOM 774 NH1 ARG A 71 9.556 -10.775 4.865 1.00 0.00 N ATOM 775 NH2 ARG A 71 11.117 -9.509 3.779 1.00 0.00 N ATOM 0 H ARG A 71 13.426 -11.029 10.600 1.00 0.00 H new ATOM 0 HA ARG A 71 13.235 -8.343 9.614 1.00 0.00 H new ATOM 0 HB2 ARG A 71 13.051 -9.303 7.435 1.00 0.00 H new ATOM 0 HB3 ARG A 71 14.361 -10.050 8.329 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.501 -11.934 7.389 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.497 -11.905 8.826 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.177 -12.336 6.754 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.641 -10.895 7.595 1.00 0.00 H new ATOM 0 HE ARG A 71 12.611 -10.109 5.669 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.279 -11.356 5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.890 -10.580 4.117 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.053 -9.107 3.728 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.440 -9.323 3.039 1.00 0.00 H new ATOM 789 N HIS A 72 10.556 -9.778 10.442 1.00 0.00 N ATOM 790 CA HIS A 72 9.130 -9.590 10.581 1.00 0.00 C ATOM 791 C HIS A 72 8.805 -8.192 11.153 1.00 0.00 C ATOM 792 O HIS A 72 7.690 -7.700 11.017 1.00 0.00 O ATOM 793 CB HIS A 72 8.494 -10.714 11.419 1.00 0.00 C ATOM 794 CG HIS A 72 6.986 -10.654 11.496 1.00 0.00 C ATOM 795 ND1 HIS A 72 6.273 -10.701 12.667 1.00 0.00 N ATOM 796 CD2 HIS A 72 6.061 -10.551 10.503 1.00 0.00 C ATOM 797 CE1 HIS A 72 4.973 -10.624 12.362 1.00 0.00 C ATOM 798 NE2 HIS A 72 4.793 -10.529 11.057 1.00 0.00 N ATOM 0 H HIS A 72 10.952 -10.482 11.065 1.00 0.00 H new ATOM 0 HA HIS A 72 8.688 -9.644 9.586 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.787 -11.676 10.998 1.00 0.00 H new ATOM 0 HB3 HIS A 72 8.900 -10.672 12.430 1.00 0.00 H new ATOM 0 HD1 HIS A 72 6.665 -10.781 13.605 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.282 -10.495 9.447 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.174 -10.638 13.089 1.00 0.00 H new ATOM 806 N SER A 73 9.800 -7.532 11.739 1.00 0.00 N ATOM 807 CA SER A 73 9.591 -6.197 12.295 1.00 0.00 C ATOM 808 C SER A 73 9.605 -5.139 11.196 1.00 0.00 C ATOM 809 O SER A 73 9.302 -3.954 11.425 1.00 0.00 O ATOM 810 CB SER A 73 10.641 -5.879 13.352 1.00 0.00 C ATOM 811 OG SER A 73 11.957 -5.890 12.797 1.00 0.00 O ATOM 0 H SER A 73 10.748 -7.893 11.841 1.00 0.00 H new ATOM 0 HA SER A 73 8.610 -6.184 12.770 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.436 -4.901 13.788 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.579 -6.608 14.160 1.00 0.00 H new ATOM 0 HG SER A 73 12.361 -6.772 12.932 1.00 0.00 H new ATOM 817 N LYS A 74 9.918 -5.576 10.017 1.00 0.00 N ATOM 818 CA LYS A 74 10.011 -4.735 8.872 1.00 0.00 C ATOM 819 C LYS A 74 9.498 -5.471 7.684 1.00 0.00 C ATOM 820 O LYS A 74 10.244 -6.018 6.878 1.00 0.00 O ATOM 821 CB LYS A 74 11.439 -4.160 8.632 1.00 0.00 C ATOM 822 CG LYS A 74 11.693 -3.395 7.280 1.00 0.00 C ATOM 823 CD LYS A 74 10.926 -2.065 7.087 1.00 0.00 C ATOM 824 CE LYS A 74 9.435 -2.241 6.825 1.00 0.00 C ATOM 825 NZ LYS A 74 8.796 -0.998 6.354 1.00 0.00 N ATOM 0 H LYS A 74 10.121 -6.556 9.822 1.00 0.00 H new ATOM 0 HA LYS A 74 9.390 -3.858 9.053 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.671 -3.481 9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.149 -4.985 8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.760 -3.189 7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.434 -4.061 6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.058 -1.449 7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.369 -1.520 6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.290 -3.025 6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.945 -2.574 7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.777 -1.033 6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.218 -0.183 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.942 -0.899 5.329 1.00 0.00 H new ATOM 839 N LEU A 75 8.239 -5.580 7.646 1.00 0.00 N ATOM 840 CA LEU A 75 7.601 -6.098 6.511 1.00 0.00 C ATOM 841 C LEU A 75 6.801 -5.023 5.879 1.00 0.00 C ATOM 842 O LEU A 75 5.996 -4.353 6.546 1.00 0.00 O ATOM 843 CB LEU A 75 6.739 -7.309 6.811 1.00 0.00 C ATOM 844 CG LEU A 75 7.276 -8.647 6.320 1.00 0.00 C ATOM 845 CD1 LEU A 75 8.143 -9.288 7.350 1.00 0.00 C ATOM 846 CD2 LEU A 75 6.152 -9.577 5.865 1.00 0.00 C ATOM 0 H LEU A 75 7.613 -5.311 8.405 1.00 0.00 H new ATOM 0 HA LEU A 75 8.372 -6.448 5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.596 -7.371 7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.756 -7.150 6.368 1.00 0.00 H new ATOM 0 HG LEU A 75 7.896 -8.451 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.512 -10.241 6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.987 -8.635 7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.565 -9.457 8.258 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.577 -10.521 5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.476 -9.765 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.601 -9.110 5.049 1.00 0.00 H new ATOM 858 N GLU A 76 7.081 -4.791 4.642 1.00 0.00 N ATOM 859 CA GLU A 76 6.349 -3.852 3.841 1.00 0.00 C ATOM 860 C GLU A 76 4.935 -4.386 3.704 1.00 0.00 C ATOM 861 O GLU A 76 4.758 -5.587 3.618 1.00 0.00 O ATOM 862 CB GLU A 76 7.016 -3.781 2.477 1.00 0.00 C ATOM 863 CG GLU A 76 8.452 -3.292 2.538 1.00 0.00 C ATOM 864 CD GLU A 76 8.547 -1.804 2.693 1.00 0.00 C ATOM 865 OE1 GLU A 76 8.255 -1.082 1.731 1.00 0.00 O ATOM 866 OE2 GLU A 76 8.942 -1.317 3.760 1.00 0.00 O ATOM 0 H GLU A 76 7.840 -5.255 4.143 1.00 0.00 H new ATOM 0 HA GLU A 76 6.331 -2.857 4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.995 -4.769 2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.440 -3.117 1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.961 -3.774 3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.974 -3.593 1.630 1.00 0.00 H new ATOM 873 N LYS A 77 3.942 -3.517 3.712 1.00 0.00 N ATOM 874 CA LYS A 77 2.533 -3.930 3.594 1.00 0.00 C ATOM 875 C LYS A 77 2.293 -4.869 2.411 1.00 0.00 C ATOM 876 O LYS A 77 1.579 -5.859 2.520 1.00 0.00 O ATOM 877 CB LYS A 77 1.629 -2.705 3.534 1.00 0.00 C ATOM 878 CG LYS A 77 0.168 -3.019 3.244 1.00 0.00 C ATOM 879 CD LYS A 77 -0.780 -1.924 3.740 1.00 0.00 C ATOM 880 CE LYS A 77 -0.759 -1.814 5.266 1.00 0.00 C ATOM 881 NZ LYS A 77 -1.702 -0.800 5.777 1.00 0.00 N ATOM 0 H LYS A 77 4.074 -2.509 3.799 1.00 0.00 H new ATOM 0 HA LYS A 77 2.282 -4.503 4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.693 -2.174 4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.003 -2.029 2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.035 -3.150 2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.097 -3.965 3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.495 -0.968 3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.794 -2.139 3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.004 -2.784 5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.250 -1.564 5.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.647 -0.767 6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.454 0.132 5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.670 -1.050 5.489 1.00 0.00 H new ATOM 895 N ALA A 78 2.948 -4.570 1.333 1.00 0.00 N ATOM 896 CA ALA A 78 2.893 -5.358 0.118 1.00 0.00 C ATOM 897 C ALA A 78 3.491 -6.754 0.322 1.00 0.00 C ATOM 898 O ALA A 78 3.021 -7.735 -0.250 1.00 0.00 O ATOM 899 CB ALA A 78 3.668 -4.639 -0.948 1.00 0.00 C ATOM 0 H ALA A 78 3.554 -3.753 1.261 1.00 0.00 H new ATOM 0 HA ALA A 78 1.849 -5.481 -0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.639 -5.217 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.226 -3.658 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.703 -4.520 -0.628 1.00 0.00 H new ATOM 905 N ASP A 79 4.483 -6.826 1.193 1.00 0.00 N ATOM 906 CA ASP A 79 5.246 -8.061 1.443 1.00 0.00 C ATOM 907 C ASP A 79 4.410 -8.966 2.277 1.00 0.00 C ATOM 908 O ASP A 79 4.401 -10.164 2.107 1.00 0.00 O ATOM 909 CB ASP A 79 6.555 -7.720 2.179 1.00 0.00 C ATOM 910 CG ASP A 79 7.579 -8.851 2.189 1.00 0.00 C ATOM 911 OD1 ASP A 79 8.116 -9.183 1.117 1.00 0.00 O ATOM 912 OD2 ASP A 79 7.924 -9.361 3.257 1.00 0.00 O ATOM 0 H ASP A 79 4.792 -6.032 1.755 1.00 0.00 H new ATOM 0 HA ASP A 79 5.495 -8.550 0.501 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.003 -6.843 1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.320 -7.448 3.208 1.00 0.00 H new ATOM 917 N ILE A 80 3.652 -8.346 3.137 1.00 0.00 N ATOM 918 CA ILE A 80 2.751 -9.007 4.040 1.00 0.00 C ATOM 919 C ILE A 80 1.593 -9.647 3.274 1.00 0.00 C ATOM 920 O ILE A 80 1.311 -10.850 3.438 1.00 0.00 O ATOM 921 CB ILE A 80 2.235 -7.983 5.071 1.00 0.00 C ATOM 922 CG1 ILE A 80 3.438 -7.411 5.806 1.00 0.00 C ATOM 923 CG2 ILE A 80 1.279 -8.639 6.039 1.00 0.00 C ATOM 924 CD1 ILE A 80 3.181 -6.213 6.669 1.00 0.00 C ATOM 0 H ILE A 80 3.644 -7.330 3.232 1.00 0.00 H new ATOM 0 HA ILE A 80 3.278 -9.806 4.562 1.00 0.00 H new ATOM 0 HB ILE A 80 1.691 -7.184 4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.863 -8.197 6.430 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.195 -7.145 5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.926 -7.900 6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.430 -9.047 5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.791 -9.444 6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.112 -5.897 7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.790 -5.400 6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.453 -6.469 7.439 1.00 0.00 H new ATOM 936 N LEU A 81 0.957 -8.869 2.407 1.00 0.00 N ATOM 937 CA LEU A 81 -0.159 -9.365 1.608 1.00 0.00 C ATOM 938 C LEU A 81 0.316 -10.525 0.736 1.00 0.00 C ATOM 939 O LEU A 81 -0.256 -11.619 0.770 1.00 0.00 O ATOM 940 CB LEU A 81 -0.733 -8.262 0.715 1.00 0.00 C ATOM 941 CG LEU A 81 -1.168 -6.960 1.394 1.00 0.00 C ATOM 942 CD1 LEU A 81 -1.734 -6.007 0.359 1.00 0.00 C ATOM 943 CD2 LEU A 81 -2.187 -7.212 2.503 1.00 0.00 C ATOM 0 H LEU A 81 1.194 -7.891 2.238 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.943 -9.701 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.015 -8.015 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.595 -8.671 0.187 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.290 -6.511 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.042 -5.082 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.972 -5.787 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.595 -6.466 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.470 -6.264 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.071 -7.691 2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.748 -7.862 3.260 1.00 0.00 H new ATOM 955 N GLU A 82 1.408 -10.294 0.016 1.00 0.00 N ATOM 956 CA GLU A 82 2.012 -11.291 -0.858 1.00 0.00 C ATOM 957 C GLU A 82 2.441 -12.544 -0.119 1.00 0.00 C ATOM 958 O GLU A 82 2.270 -13.635 -0.626 1.00 0.00 O ATOM 959 CB GLU A 82 3.173 -10.666 -1.664 1.00 0.00 C ATOM 960 CG GLU A 82 4.207 -11.624 -2.185 1.00 0.00 C ATOM 961 CD GLU A 82 5.174 -10.973 -3.137 1.00 0.00 C ATOM 962 OE1 GLU A 82 6.211 -10.419 -2.694 1.00 0.00 O ATOM 963 OE2 GLU A 82 4.927 -11.036 -4.355 1.00 0.00 O ATOM 0 H GLU A 82 1.903 -9.402 0.023 1.00 0.00 H new ATOM 0 HA GLU A 82 1.244 -11.617 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.750 -10.124 -2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.673 -9.932 -1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.759 -12.048 -1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.708 -12.452 -2.689 1.00 0.00 H new ATOM 970 N MET A 83 2.906 -12.393 1.095 1.00 0.00 N ATOM 971 CA MET A 83 3.443 -13.510 1.851 1.00 0.00 C ATOM 972 C MET A 83 2.321 -14.479 2.180 1.00 0.00 C ATOM 973 O MET A 83 2.498 -15.702 2.178 1.00 0.00 O ATOM 974 CB MET A 83 4.087 -12.999 3.133 1.00 0.00 C ATOM 975 CG MET A 83 5.178 -13.891 3.657 1.00 0.00 C ATOM 976 SD MET A 83 6.501 -14.111 2.442 1.00 0.00 S ATOM 977 CE MET A 83 7.051 -12.415 2.220 1.00 0.00 C ATOM 0 H MET A 83 2.926 -11.501 1.590 1.00 0.00 H new ATOM 0 HA MET A 83 4.199 -14.025 1.258 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.497 -12.005 2.952 1.00 0.00 H new ATOM 0 HB3 MET A 83 3.318 -12.892 3.898 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.590 -13.464 4.571 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.759 -14.863 3.920 1.00 0.00 H new ATOM 0 HE1 MET A 83 8.034 -12.410 1.749 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.342 -11.883 1.586 1.00 0.00 H new ATOM 0 HE3 MET A 83 7.111 -11.922 3.190 1.00 0.00 H new ATOM 987 N THR A 84 1.177 -13.906 2.415 1.00 0.00 N ATOM 988 CA THR A 84 -0.029 -14.611 2.715 1.00 0.00 C ATOM 989 C THR A 84 -0.562 -15.307 1.450 1.00 0.00 C ATOM 990 O THR A 84 -0.928 -16.486 1.480 1.00 0.00 O ATOM 991 CB THR A 84 -1.040 -13.589 3.252 1.00 0.00 C ATOM 992 OG1 THR A 84 -0.364 -12.812 4.241 1.00 0.00 O ATOM 993 CG2 THR A 84 -2.229 -14.260 3.912 1.00 0.00 C ATOM 0 H THR A 84 1.057 -12.893 2.402 1.00 0.00 H new ATOM 0 HA THR A 84 0.147 -15.385 3.462 1.00 0.00 H new ATOM 0 HB THR A 84 -1.411 -12.987 2.422 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.077 -12.049 3.812 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.919 -13.500 4.278 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.739 -14.894 3.186 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.885 -14.870 4.747 1.00 0.00 H new ATOM 1001 N VAL A 85 -0.548 -14.586 0.330 1.00 0.00 N ATOM 1002 CA VAL A 85 -1.006 -15.128 -0.950 1.00 0.00 C ATOM 1003 C VAL A 85 -0.109 -16.288 -1.378 1.00 0.00 C ATOM 1004 O VAL A 85 -0.583 -17.320 -1.829 1.00 0.00 O ATOM 1005 CB VAL A 85 -0.982 -14.061 -2.067 1.00 0.00 C ATOM 1006 CG1 VAL A 85 -1.488 -14.618 -3.396 1.00 0.00 C ATOM 1007 CG2 VAL A 85 -1.778 -12.853 -1.672 1.00 0.00 C ATOM 0 H VAL A 85 -0.223 -13.620 0.283 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.032 -15.466 -0.806 1.00 0.00 H new ATOM 0 HB VAL A 85 0.058 -13.765 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.455 -13.836 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.856 -15.451 -3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.514 -14.965 -3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.745 -12.117 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.812 -13.143 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.356 -12.420 -0.765 1.00 0.00 H new ATOM 1017 N LYS A 86 1.180 -16.115 -1.214 1.00 0.00 N ATOM 1018 CA LYS A 86 2.138 -17.132 -1.595 1.00 0.00 C ATOM 1019 C LYS A 86 2.002 -18.391 -0.727 1.00 0.00 C ATOM 1020 O LYS A 86 2.102 -19.518 -1.223 1.00 0.00 O ATOM 1021 CB LYS A 86 3.562 -16.591 -1.583 1.00 0.00 C ATOM 1022 CG LYS A 86 3.790 -15.428 -2.549 1.00 0.00 C ATOM 1023 CD LYS A 86 5.266 -15.169 -2.724 1.00 0.00 C ATOM 1024 CE LYS A 86 5.565 -14.302 -3.937 1.00 0.00 C ATOM 1025 NZ LYS A 86 5.100 -14.914 -5.202 1.00 0.00 N ATOM 0 H LYS A 86 1.595 -15.273 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 86 1.912 -17.423 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.808 -16.265 -0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.249 -17.399 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.338 -15.655 -3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.300 -14.531 -2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.655 -14.683 -1.829 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.789 -16.120 -2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.088 -13.330 -3.811 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.639 -14.125 -3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.616 -14.494 -6.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.275 -15.939 -5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.081 -14.739 -5.318 1.00 0.00 H new ATOM 1039 N HIS A 87 1.707 -18.201 0.550 1.00 0.00 N ATOM 1040 CA HIS A 87 1.498 -19.324 1.465 1.00 0.00 C ATOM 1041 C HIS A 87 0.186 -20.048 1.130 1.00 0.00 C ATOM 1042 O HIS A 87 0.062 -21.260 1.326 1.00 0.00 O ATOM 1043 CB HIS A 87 1.533 -18.842 2.931 1.00 0.00 C ATOM 1044 CG HIS A 87 1.302 -19.913 3.984 1.00 0.00 C ATOM 1045 ND1 HIS A 87 2.020 -21.092 4.088 1.00 0.00 N ATOM 1046 CD2 HIS A 87 0.416 -19.943 4.995 1.00 0.00 C ATOM 1047 CE1 HIS A 87 1.550 -21.770 5.135 1.00 0.00 C ATOM 1048 NE2 HIS A 87 0.576 -21.116 5.726 1.00 0.00 N ATOM 0 H HIS A 87 1.606 -17.282 0.981 1.00 0.00 H new ATOM 0 HA HIS A 87 2.310 -20.040 1.340 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.501 -18.378 3.118 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.778 -18.066 3.057 1.00 0.00 H new ATOM 0 HD1 HIS A 87 2.776 -21.390 3.472 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.310 -19.173 5.208 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.922 -22.732 5.456 1.00 0.00 H new ATOM 1056 N LEU A 88 -0.753 -19.302 0.547 1.00 0.00 N ATOM 1057 CA LEU A 88 -2.049 -19.812 0.146 1.00 0.00 C ATOM 1058 C LEU A 88 -1.778 -20.838 -0.937 1.00 0.00 C ATOM 1059 O LEU A 88 -2.313 -21.939 -0.923 1.00 0.00 O ATOM 1060 CB LEU A 88 -2.852 -18.611 -0.425 1.00 0.00 C ATOM 1061 CG LEU A 88 -4.361 -18.713 -0.743 1.00 0.00 C ATOM 1062 CD1 LEU A 88 -4.807 -17.394 -1.335 1.00 0.00 C ATOM 1063 CD2 LEU A 88 -4.698 -19.827 -1.717 1.00 0.00 C ATOM 0 H LEU A 88 -0.625 -18.311 0.340 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.612 -20.266 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.734 -17.790 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.356 -18.311 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.878 -18.942 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.871 -17.441 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.628 -16.594 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.244 -17.196 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.773 -19.841 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.176 -19.657 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.387 -20.784 -1.297 1.00 0.00 H new ATOM 1075 N ARG A 89 -0.874 -20.466 -1.834 1.00 0.00 N ATOM 1076 CA ARG A 89 -0.495 -21.285 -2.968 1.00 0.00 C ATOM 1077 C ARG A 89 0.107 -22.573 -2.468 1.00 0.00 C ATOM 1078 O ARG A 89 -0.252 -23.644 -2.917 1.00 0.00 O ATOM 1079 CB ARG A 89 0.525 -20.556 -3.870 1.00 0.00 C ATOM 1080 CG ARG A 89 0.190 -19.098 -4.184 1.00 0.00 C ATOM 1081 CD ARG A 89 -1.254 -18.921 -4.604 1.00 0.00 C ATOM 1082 NE ARG A 89 -1.564 -19.667 -5.828 1.00 0.00 N ATOM 1083 CZ ARG A 89 -2.714 -20.284 -6.097 1.00 0.00 C ATOM 1084 NH1 ARG A 89 -3.716 -20.255 -5.223 1.00 0.00 N ATOM 1085 NH2 ARG A 89 -2.860 -20.923 -7.242 1.00 0.00 N ATOM 0 H ARG A 89 -0.380 -19.575 -1.790 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.387 -21.489 -3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 89 1.502 -20.592 -3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.612 -21.103 -4.809 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.389 -18.484 -3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.844 -18.740 -4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.909 -19.255 -3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.459 -17.862 -4.763 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.833 -19.718 -6.538 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.607 -19.758 -4.339 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.593 -20.730 -5.437 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.095 -20.943 -7.916 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.738 -21.397 -7.453 1.00 0.00 H new ATOM 1099 N ASN A 90 0.985 -22.452 -1.484 1.00 0.00 N ATOM 1100 CA ASN A 90 1.647 -23.599 -0.883 1.00 0.00 C ATOM 1101 C ASN A 90 0.635 -24.542 -0.295 1.00 0.00 C ATOM 1102 O ASN A 90 0.663 -25.733 -0.557 1.00 0.00 O ATOM 1103 CB ASN A 90 2.639 -23.192 0.210 1.00 0.00 C ATOM 1104 CG ASN A 90 3.772 -22.324 -0.284 1.00 0.00 C ATOM 1105 OD1 ASN A 90 4.133 -22.361 -1.464 1.00 0.00 O ATOM 1106 ND2 ASN A 90 4.386 -21.598 0.612 1.00 0.00 N ATOM 0 H ASN A 90 1.258 -21.556 -1.080 1.00 0.00 H new ATOM 0 HA ASN A 90 2.202 -24.092 -1.681 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.102 -22.659 0.995 1.00 0.00 H new ATOM 0 HB3 ASN A 90 3.055 -24.092 0.663 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.194 -21.035 0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.057 -21.594 1.578 1.00 0.00 H new ATOM 1113 N LEU A 91 -0.281 -24.004 0.466 1.00 0.00 N ATOM 1114 CA LEU A 91 -1.325 -24.793 1.089 1.00 0.00 C ATOM 1115 C LEU A 91 -2.228 -25.458 0.049 1.00 0.00 C ATOM 1116 O LEU A 91 -2.663 -26.600 0.217 1.00 0.00 O ATOM 1117 CB LEU A 91 -2.121 -23.937 2.036 1.00 0.00 C ATOM 1118 CG LEU A 91 -1.368 -23.427 3.257 1.00 0.00 C ATOM 1119 CD1 LEU A 91 -2.227 -22.453 4.019 1.00 0.00 C ATOM 1120 CD2 LEU A 91 -0.966 -24.582 4.159 1.00 0.00 C ATOM 0 H LEU A 91 -0.329 -23.007 0.675 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.853 -25.595 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.506 -23.079 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.983 -24.510 2.377 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.463 -22.921 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.682 -22.092 4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.480 -21.611 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.141 -22.950 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.429 -24.197 5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.859 -25.112 4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.321 -25.267 3.608 1.00 0.00 H new ATOM 1132 N GLN A 92 -2.446 -24.772 -1.033 1.00 0.00 N ATOM 1133 CA GLN A 92 -3.248 -25.274 -2.127 1.00 0.00 C ATOM 1134 C GLN A 92 -2.567 -26.416 -2.904 1.00 0.00 C ATOM 1135 O GLN A 92 -3.244 -27.290 -3.437 1.00 0.00 O ATOM 1136 CB GLN A 92 -3.629 -24.129 -3.066 1.00 0.00 C ATOM 1137 CG GLN A 92 -4.761 -23.258 -2.573 1.00 0.00 C ATOM 1138 CD GLN A 92 -6.100 -23.936 -2.720 1.00 0.00 C ATOM 1139 OE1 GLN A 92 -6.310 -24.759 -3.620 1.00 0.00 O ATOM 1140 NE2 GLN A 92 -7.020 -23.577 -1.906 1.00 0.00 N ATOM 0 H GLN A 92 -2.071 -23.837 -1.190 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.150 -25.702 -1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.751 -23.503 -3.228 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.906 -24.548 -4.034 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.595 -23.006 -1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.766 -22.321 -3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.816 -22.896 -1.174 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.957 -23.972 -1.989 1.00 0.00 H new ATOM 1149 N ARG A 93 -1.246 -26.442 -2.947 1.00 0.00 N ATOM 1150 CA ARG A 93 -0.567 -27.436 -3.794 1.00 0.00 C ATOM 1151 C ARG A 93 0.421 -28.377 -3.082 1.00 0.00 C ATOM 1152 O ARG A 93 0.917 -29.310 -3.694 1.00 0.00 O ATOM 1153 CB ARG A 93 0.066 -26.760 -5.034 1.00 0.00 C ATOM 1154 CG ARG A 93 1.039 -25.614 -4.742 1.00 0.00 C ATOM 1155 CD ARG A 93 2.408 -26.076 -4.268 1.00 0.00 C ATOM 1156 NE ARG A 93 3.101 -26.868 -5.285 1.00 0.00 N ATOM 1157 CZ ARG A 93 4.337 -27.371 -5.156 1.00 0.00 C ATOM 1158 NH1 ARG A 93 5.063 -27.113 -4.069 1.00 0.00 N ATOM 1159 NH2 ARG A 93 4.855 -28.096 -6.129 1.00 0.00 N ATOM 0 H ARG A 93 -0.631 -25.815 -2.429 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.361 -28.111 -4.113 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.592 -27.521 -5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.736 -26.379 -5.666 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.161 -25.014 -5.644 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.603 -24.964 -3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.014 -25.208 -4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.296 -26.669 -3.360 1.00 0.00 H new ATOM 0 HE ARG A 93 2.606 -27.051 -6.158 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.679 -26.529 -3.326 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.002 -27.500 -3.979 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.315 -28.272 -6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.795 -28.480 -6.034 1.00 0.00 H new ATOM 1173 N ALA A 94 0.720 -28.147 -1.821 1.00 0.00 N ATOM 1174 CA ALA A 94 1.675 -29.024 -1.115 1.00 0.00 C ATOM 1175 C ALA A 94 0.946 -30.134 -0.378 1.00 0.00 C ATOM 1176 O ALA A 94 1.560 -31.060 0.162 1.00 0.00 O ATOM 1177 CB ALA A 94 2.545 -28.228 -0.153 1.00 0.00 C ATOM 0 H ALA A 94 0.336 -27.385 -1.262 1.00 0.00 H new ATOM 0 HA ALA A 94 2.325 -29.476 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.238 -28.901 0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.107 -27.477 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.913 -27.736 0.586 1.00 0.00 H new ATOM 1485 N GLU B 43 7.951 4.384 -1.704 1.00 0.00 N ATOM 1486 CA GLU B 43 6.638 4.232 -1.104 1.00 0.00 C ATOM 1487 C GLU B 43 5.579 4.083 -2.186 1.00 0.00 C ATOM 1488 O GLU B 43 4.549 3.446 -1.972 1.00 0.00 O ATOM 1489 CB GLU B 43 6.305 5.386 -0.138 1.00 0.00 C ATOM 1490 CG GLU B 43 6.168 6.750 -0.793 1.00 0.00 C ATOM 1491 CD GLU B 43 6.006 7.858 0.207 1.00 0.00 C ATOM 1492 OE1 GLU B 43 4.845 8.183 0.600 1.00 0.00 O ATOM 1493 OE2 GLU B 43 7.030 8.455 0.608 1.00 0.00 O ATOM 0 HA GLU B 43 6.647 3.322 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU B 43 5.374 5.152 0.377 1.00 0.00 H new ATOM 0 HB3 GLU B 43 7.085 5.441 0.622 1.00 0.00 H new ATOM 0 HG2 GLU B 43 7.048 6.945 -1.406 1.00 0.00 H new ATOM 0 HG3 GLU B 43 5.308 6.742 -1.463 1.00 0.00 H new ATOM 1500 N LYS B 44 5.860 4.626 -3.371 1.00 0.00 N ATOM 1501 CA LYS B 44 4.942 4.506 -4.479 1.00 0.00 C ATOM 1502 C LYS B 44 5.039 3.085 -5.028 1.00 0.00 C ATOM 1503 O LYS B 44 4.028 2.458 -5.342 1.00 0.00 O ATOM 1504 CB LYS B 44 5.254 5.581 -5.545 1.00 0.00 C ATOM 1505 CG LYS B 44 4.194 5.765 -6.652 1.00 0.00 C ATOM 1506 CD LYS B 44 4.227 4.682 -7.736 1.00 0.00 C ATOM 1507 CE LYS B 44 5.461 4.802 -8.620 1.00 0.00 C ATOM 1508 NZ LYS B 44 5.461 6.056 -9.412 1.00 0.00 N ATOM 0 H LYS B 44 6.712 5.147 -3.577 1.00 0.00 H new ATOM 0 HA LYS B 44 3.915 4.680 -4.158 1.00 0.00 H new ATOM 0 HB2 LYS B 44 5.392 6.537 -5.039 1.00 0.00 H new ATOM 0 HB3 LYS B 44 6.204 5.331 -6.017 1.00 0.00 H new ATOM 0 HG2 LYS B 44 3.205 5.776 -6.195 1.00 0.00 H new ATOM 0 HG3 LYS B 44 4.339 6.738 -7.121 1.00 0.00 H new ATOM 0 HD2 LYS B 44 4.210 3.698 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS B 44 3.331 4.757 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS B 44 6.356 4.766 -7.999 1.00 0.00 H new ATOM 0 HE3 LYS B 44 5.507 3.947 -9.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 6.166 5.986 -10.173 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 4.519 6.205 -9.826 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 5.698 6.858 -8.793 1.00 0.00 H new ATOM 1522 N ARG B 45 6.266 2.578 -5.101 1.00 0.00 N ATOM 1523 CA ARG B 45 6.522 1.203 -5.537 1.00 0.00 C ATOM 1524 C ARG B 45 5.874 0.233 -4.561 1.00 0.00 C ATOM 1525 O ARG B 45 5.295 -0.783 -4.964 1.00 0.00 O ATOM 1526 CB ARG B 45 8.016 0.936 -5.601 1.00 0.00 C ATOM 1527 CG ARG B 45 8.757 1.839 -6.556 1.00 0.00 C ATOM 1528 CD ARG B 45 10.242 1.613 -6.472 1.00 0.00 C ATOM 1529 NE ARG B 45 10.617 0.287 -6.964 1.00 0.00 N ATOM 1530 CZ ARG B 45 11.641 -0.458 -6.527 1.00 0.00 C ATOM 1531 NH1 ARG B 45 12.406 -0.043 -5.505 1.00 0.00 N ATOM 1532 NH2 ARG B 45 11.890 -1.627 -7.112 1.00 0.00 N ATOM 0 H ARG B 45 7.108 3.102 -4.862 1.00 0.00 H new ATOM 0 HA ARG B 45 6.098 1.064 -6.531 1.00 0.00 H new ATOM 0 HB2 ARG B 45 8.439 1.053 -4.603 1.00 0.00 H new ATOM 0 HB3 ARG B 45 8.178 -0.101 -5.897 1.00 0.00 H new ATOM 0 HG2 ARG B 45 8.415 1.655 -7.575 1.00 0.00 H new ATOM 0 HG3 ARG B 45 8.531 2.880 -6.327 1.00 0.00 H new ATOM 0 HD2 ARG B 45 10.760 2.376 -7.053 1.00 0.00 H new ATOM 0 HD3 ARG B 45 10.569 1.723 -5.438 1.00 0.00 H new ATOM 0 HE ARG B 45 10.045 -0.107 -7.710 1.00 0.00 H new ATOM 0 HH11 ARG B 45 12.211 0.849 -5.051 1.00 0.00 H new ATOM 0 HH12 ARG B 45 13.183 -0.620 -5.182 1.00 0.00 H new ATOM 0 HH21 ARG B 45 11.304 -1.946 -7.884 1.00 0.00 H new ATOM 0 HH22 ARG B 45 12.667 -2.204 -6.789 1.00 0.00 H new ATOM 1546 N ARG B 46 5.987 0.561 -3.271 1.00 0.00 N ATOM 1547 CA ARG B 46 5.345 -0.185 -2.206 1.00 0.00 C ATOM 1548 C ARG B 46 3.851 -0.208 -2.443 1.00 0.00 C ATOM 1549 O ARG B 46 3.259 -1.261 -2.514 1.00 0.00 O ATOM 1550 CB ARG B 46 5.615 0.471 -0.849 1.00 0.00 C ATOM 1551 CG ARG B 46 4.918 -0.224 0.314 1.00 0.00 C ATOM 1552 CD ARG B 46 5.016 0.594 1.586 1.00 0.00 C ATOM 1553 NE ARG B 46 6.391 0.729 2.041 1.00 0.00 N ATOM 1554 CZ ARG B 46 6.898 1.738 2.754 1.00 0.00 C ATOM 1555 NH1 ARG B 46 6.143 2.781 3.113 1.00 0.00 N ATOM 1556 NH2 ARG B 46 8.168 1.680 3.114 1.00 0.00 N ATOM 0 H ARG B 46 6.532 1.358 -2.943 1.00 0.00 H new ATOM 0 HA ARG B 46 5.747 -1.198 -2.201 1.00 0.00 H new ATOM 0 HB2 ARG B 46 6.689 0.478 -0.666 1.00 0.00 H new ATOM 0 HB3 ARG B 46 5.291 1.511 -0.887 1.00 0.00 H new ATOM 0 HG2 ARG B 46 3.870 -0.389 0.066 1.00 0.00 H new ATOM 0 HG3 ARG B 46 5.366 -1.205 0.475 1.00 0.00 H new ATOM 0 HD2 ARG B 46 4.592 1.583 1.415 1.00 0.00 H new ATOM 0 HD3 ARG B 46 4.420 0.123 2.367 1.00 0.00 H new ATOM 0 HE ARG B 46 7.033 -0.023 1.790 1.00 0.00 H new ATOM 0 HH11 ARG B 46 5.160 2.816 2.842 1.00 0.00 H new ATOM 0 HH12 ARG B 46 6.550 3.541 3.658 1.00 0.00 H new ATOM 0 HH21 ARG B 46 8.738 0.877 2.847 1.00 0.00 H new ATOM 0 HH22 ARG B 46 8.579 2.438 3.659 1.00 0.00 H new ATOM 1570 N ARG B 47 3.276 0.983 -2.588 1.00 0.00 N ATOM 1571 CA ARG B 47 1.850 1.191 -2.807 1.00 0.00 C ATOM 1572 C ARG B 47 1.344 0.357 -3.964 1.00 0.00 C ATOM 1573 O ARG B 47 0.359 -0.365 -3.827 1.00 0.00 O ATOM 1574 CB ARG B 47 1.602 2.658 -3.083 1.00 0.00 C ATOM 1575 CG ARG B 47 0.151 3.063 -3.142 1.00 0.00 C ATOM 1576 CD ARG B 47 0.064 4.510 -3.524 1.00 0.00 C ATOM 1577 NE ARG B 47 -1.281 5.054 -3.428 1.00 0.00 N ATOM 1578 CZ ARG B 47 -1.586 6.185 -2.776 1.00 0.00 C ATOM 1579 NH1 ARG B 47 -0.616 6.918 -2.204 1.00 0.00 N ATOM 1580 NH2 ARG B 47 -2.840 6.612 -2.735 1.00 0.00 N ATOM 0 H ARG B 47 3.806 1.854 -2.555 1.00 0.00 H new ATOM 0 HA ARG B 47 1.311 0.881 -1.912 1.00 0.00 H new ATOM 0 HB2 ARG B 47 2.096 3.246 -2.309 1.00 0.00 H new ATOM 0 HB3 ARG B 47 2.074 2.918 -4.030 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -0.382 2.449 -3.868 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -0.325 2.899 -2.175 1.00 0.00 H new ATOM 0 HD2 ARG B 47 0.728 5.088 -2.881 1.00 0.00 H new ATOM 0 HD3 ARG B 47 0.424 4.630 -4.546 1.00 0.00 H new ATOM 0 HE ARG B 47 -2.038 4.545 -3.884 1.00 0.00 H new ATOM 0 HH11 ARG B 47 0.356 6.614 -2.265 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -0.852 7.778 -1.709 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -3.575 6.080 -3.200 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -3.070 7.473 -2.238 1.00 0.00 H new ATOM 1594 N ALA B 48 2.039 0.439 -5.082 1.00 0.00 N ATOM 1595 CA ALA B 48 1.698 -0.314 -6.270 1.00 0.00 C ATOM 1596 C ALA B 48 1.667 -1.797 -5.956 1.00 0.00 C ATOM 1597 O ALA B 48 0.679 -2.474 -6.227 1.00 0.00 O ATOM 1598 CB ALA B 48 2.693 -0.020 -7.383 1.00 0.00 C ATOM 0 H ALA B 48 2.861 1.034 -5.191 1.00 0.00 H new ATOM 0 HA ALA B 48 0.707 -0.012 -6.608 1.00 0.00 H new ATOM 0 HB1 ALA B 48 2.425 -0.593 -8.271 1.00 0.00 H new ATOM 0 HB2 ALA B 48 2.672 1.044 -7.618 1.00 0.00 H new ATOM 0 HB3 ALA B 48 3.695 -0.301 -7.059 1.00 0.00 H new ATOM 1604 N ARG B 49 2.714 -2.268 -5.288 1.00 0.00 N ATOM 1605 CA ARG B 49 2.856 -3.671 -4.948 1.00 0.00 C ATOM 1606 C ARG B 49 1.772 -4.107 -3.939 1.00 0.00 C ATOM 1607 O ARG B 49 1.354 -5.264 -3.942 1.00 0.00 O ATOM 1608 CB ARG B 49 4.262 -3.941 -4.399 1.00 0.00 C ATOM 1609 CG ARG B 49 4.648 -5.417 -4.300 1.00 0.00 C ATOM 1610 CD ARG B 49 4.635 -6.093 -5.661 1.00 0.00 C ATOM 1611 NE ARG B 49 5.463 -5.377 -6.643 1.00 0.00 N ATOM 1612 CZ ARG B 49 5.881 -5.869 -7.807 1.00 0.00 C ATOM 1613 NH1 ARG B 49 5.679 -7.148 -8.108 1.00 0.00 N ATOM 1614 NH2 ARG B 49 6.531 -5.079 -8.649 1.00 0.00 N ATOM 0 H ARG B 49 3.487 -1.684 -4.969 1.00 0.00 H new ATOM 0 HA ARG B 49 2.720 -4.263 -5.853 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.987 -3.434 -5.036 1.00 0.00 H new ATOM 0 HB3 ARG B 49 4.340 -3.494 -3.408 1.00 0.00 H new ATOM 0 HG2 ARG B 49 5.641 -5.505 -3.859 1.00 0.00 H new ATOM 0 HG3 ARG B 49 3.956 -5.930 -3.632 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.997 -7.116 -5.560 1.00 0.00 H new ATOM 0 HD3 ARG B 49 3.610 -6.152 -6.026 1.00 0.00 H new ATOM 0 HE ARG B 49 5.740 -4.423 -6.413 1.00 0.00 H new ATOM 0 HH11 ARG B 49 5.201 -7.759 -7.445 1.00 0.00 H new ATOM 0 HH12 ARG B 49 6.002 -7.519 -9.002 1.00 0.00 H new ATOM 0 HH21 ARG B 49 6.706 -4.105 -8.402 1.00 0.00 H new ATOM 0 HH22 ARG B 49 6.856 -5.445 -9.544 1.00 0.00 H new ATOM 1628 N ILE B 50 1.334 -3.179 -3.072 1.00 0.00 N ATOM 1629 CA ILE B 50 0.241 -3.432 -2.128 1.00 0.00 C ATOM 1630 C ILE B 50 -1.025 -3.747 -2.909 1.00 0.00 C ATOM 1631 O ILE B 50 -1.725 -4.708 -2.625 1.00 0.00 O ATOM 1632 CB ILE B 50 -0.011 -2.196 -1.203 1.00 0.00 C ATOM 1633 CG1 ILE B 50 1.228 -1.912 -0.354 1.00 0.00 C ATOM 1634 CG2 ILE B 50 -1.234 -2.409 -0.303 1.00 0.00 C ATOM 1635 CD1 ILE B 50 1.146 -0.641 0.454 1.00 0.00 C ATOM 0 H ILE B 50 1.727 -2.240 -3.008 1.00 0.00 H new ATOM 0 HA ILE B 50 0.518 -4.276 -1.496 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.212 -1.335 -1.841 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.390 -2.750 0.324 1.00 0.00 H new ATOM 0 HG13 ILE B 50 2.098 -1.858 -1.008 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.380 -1.531 0.326 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.118 -2.563 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.074 -3.284 0.327 1.00 0.00 H new ATOM 0 HD11 ILE B 50 2.064 -0.514 1.027 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.017 0.209 -0.216 1.00 0.00 H new ATOM 0 HD13 ILE B 50 0.298 -0.698 1.136 1.00 0.00 H new ATOM 1647 N ASN B 51 -1.279 -2.955 -3.928 1.00 0.00 N ATOM 1648 CA ASN B 51 -2.447 -3.163 -4.768 1.00 0.00 C ATOM 1649 C ASN B 51 -2.317 -4.465 -5.530 1.00 0.00 C ATOM 1650 O ASN B 51 -3.271 -5.238 -5.623 1.00 0.00 O ATOM 1651 CB ASN B 51 -2.660 -2.023 -5.764 1.00 0.00 C ATOM 1652 CG ASN B 51 -3.031 -0.695 -5.139 1.00 0.00 C ATOM 1653 OD1 ASN B 51 -4.203 -0.439 -4.862 1.00 0.00 O ATOM 1654 ND2 ASN B 51 -2.080 0.175 -4.989 1.00 0.00 N ATOM 0 H ASN B 51 -0.697 -2.162 -4.198 1.00 0.00 H new ATOM 0 HA ASN B 51 -3.311 -3.196 -4.104 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -1.748 -1.892 -6.346 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -3.445 -2.312 -6.463 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -2.292 1.106 -4.631 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -1.120 -0.072 -5.229 1.00 0.00 H new ATOM 1661 N GLU B 52 -1.125 -4.698 -6.057 1.00 0.00 N ATOM 1662 CA GLU B 52 -0.811 -5.909 -6.820 1.00 0.00 C ATOM 1663 C GLU B 52 -1.073 -7.183 -6.008 1.00 0.00 C ATOM 1664 O GLU B 52 -1.693 -8.147 -6.506 1.00 0.00 O ATOM 1665 CB GLU B 52 0.654 -5.901 -7.291 1.00 0.00 C ATOM 1666 CG GLU B 52 1.025 -4.760 -8.231 1.00 0.00 C ATOM 1667 CD GLU B 52 0.163 -4.718 -9.465 1.00 0.00 C ATOM 1668 OE1 GLU B 52 0.392 -5.516 -10.398 1.00 0.00 O ATOM 1669 OE2 GLU B 52 -0.784 -3.899 -9.517 1.00 0.00 O ATOM 0 H GLU B 52 -0.340 -4.052 -5.970 1.00 0.00 H new ATOM 0 HA GLU B 52 -1.471 -5.910 -7.687 1.00 0.00 H new ATOM 0 HB2 GLU B 52 1.301 -5.854 -6.415 1.00 0.00 H new ATOM 0 HB3 GLU B 52 0.864 -6.846 -7.792 1.00 0.00 H new ATOM 0 HG2 GLU B 52 0.936 -3.813 -7.699 1.00 0.00 H new ATOM 0 HG3 GLU B 52 2.069 -4.863 -8.526 1.00 0.00 H new ATOM 1676 N SER B 53 -0.643 -7.181 -4.761 1.00 0.00 N ATOM 1677 CA SER B 53 -0.765 -8.337 -3.934 1.00 0.00 C ATOM 1678 C SER B 53 -2.193 -8.522 -3.437 1.00 0.00 C ATOM 1679 O SER B 53 -2.719 -9.625 -3.474 1.00 0.00 O ATOM 1680 CB SER B 53 0.253 -8.268 -2.802 1.00 0.00 C ATOM 1681 OG SER B 53 0.249 -6.985 -2.209 1.00 0.00 O ATOM 0 H SER B 53 -0.205 -6.379 -4.308 1.00 0.00 H new ATOM 0 HA SER B 53 -0.543 -9.225 -4.526 1.00 0.00 H new ATOM 0 HB2 SER B 53 0.022 -9.023 -2.051 1.00 0.00 H new ATOM 0 HB3 SER B 53 1.248 -8.495 -3.186 1.00 0.00 H new ATOM 0 HG SER B 53 0.840 -6.389 -2.715 1.00 0.00 H new ATOM 1687 N LEU B 54 -2.832 -7.427 -3.037 1.00 0.00 N ATOM 1688 CA LEU B 54 -4.199 -7.454 -2.538 1.00 0.00 C ATOM 1689 C LEU B 54 -5.158 -7.922 -3.654 1.00 0.00 C ATOM 1690 O LEU B 54 -6.098 -8.691 -3.404 1.00 0.00 O ATOM 1691 CB LEU B 54 -4.581 -6.044 -2.042 1.00 0.00 C ATOM 1692 CG LEU B 54 -5.607 -5.939 -0.896 1.00 0.00 C ATOM 1693 CD1 LEU B 54 -5.699 -4.504 -0.412 1.00 0.00 C ATOM 1694 CD2 LEU B 54 -6.991 -6.437 -1.297 1.00 0.00 C ATOM 0 H LEU B 54 -2.415 -6.496 -3.050 1.00 0.00 H new ATOM 0 HA LEU B 54 -4.278 -8.156 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -3.668 -5.543 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -4.970 -5.484 -2.892 1.00 0.00 H new ATOM 0 HG LEU B 54 -5.253 -6.584 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -6.426 -4.439 0.398 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -4.723 -4.179 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -6.014 -3.862 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -7.672 -6.339 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -7.363 -5.844 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -6.929 -7.484 -1.594 1.00 0.00 H new ATOM 1706 N SER B 55 -4.898 -7.482 -4.878 1.00 0.00 N ATOM 1707 CA SER B 55 -5.731 -7.834 -6.007 1.00 0.00 C ATOM 1708 C SER B 55 -5.685 -9.348 -6.265 1.00 0.00 C ATOM 1709 O SER B 55 -6.740 -10.005 -6.365 1.00 0.00 O ATOM 1710 CB SER B 55 -5.315 -7.042 -7.265 1.00 0.00 C ATOM 1711 OG SER B 55 -6.226 -7.248 -8.342 1.00 0.00 O ATOM 0 H SER B 55 -4.110 -6.877 -5.109 1.00 0.00 H new ATOM 0 HA SER B 55 -6.760 -7.565 -5.769 1.00 0.00 H new ATOM 0 HB2 SER B 55 -5.267 -5.979 -7.027 1.00 0.00 H new ATOM 0 HB3 SER B 55 -4.314 -7.345 -7.572 1.00 0.00 H new ATOM 0 HG SER B 55 -5.933 -6.731 -9.121 1.00 0.00 H new ATOM 1717 N GLN B 56 -4.477 -9.918 -6.332 1.00 0.00 N ATOM 1718 CA GLN B 56 -4.348 -11.354 -6.575 1.00 0.00 C ATOM 1719 C GLN B 56 -4.856 -12.156 -5.371 1.00 0.00 C ATOM 1720 O GLN B 56 -5.429 -13.225 -5.534 1.00 0.00 O ATOM 1721 CB GLN B 56 -2.913 -11.747 -6.970 1.00 0.00 C ATOM 1722 CG GLN B 56 -1.859 -11.461 -5.922 1.00 0.00 C ATOM 1723 CD GLN B 56 -0.463 -11.769 -6.404 1.00 0.00 C ATOM 1724 OE1 GLN B 56 0.035 -12.887 -6.254 1.00 0.00 O ATOM 1725 NE2 GLN B 56 0.186 -10.786 -6.972 1.00 0.00 N ATOM 0 H GLN B 56 -3.594 -9.418 -6.224 1.00 0.00 H new ATOM 0 HA GLN B 56 -4.978 -11.604 -7.429 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -2.895 -12.812 -7.201 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -2.647 -11.218 -7.885 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -1.916 -10.412 -5.632 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -2.070 -12.051 -5.030 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -0.260 -9.875 -7.078 1.00 0.00 H new ATOM 0 HE22 GLN B 56 1.138 -10.931 -7.309 1.00 0.00 H new ATOM 1734 N LEU B 57 -4.677 -11.591 -4.187 1.00 0.00 N ATOM 1735 CA LEU B 57 -5.152 -12.162 -2.929 1.00 0.00 C ATOM 1736 C LEU B 57 -6.659 -12.403 -3.010 1.00 0.00 C ATOM 1737 O LEU B 57 -7.123 -13.540 -2.915 1.00 0.00 O ATOM 1738 CB LEU B 57 -4.764 -11.176 -1.796 1.00 0.00 C ATOM 1739 CG LEU B 57 -5.205 -11.459 -0.361 1.00 0.00 C ATOM 1740 CD1 LEU B 57 -4.161 -10.915 0.602 1.00 0.00 C ATOM 1741 CD2 LEU B 57 -6.513 -10.753 -0.083 1.00 0.00 C ATOM 0 H LEU B 57 -4.188 -10.704 -4.068 1.00 0.00 H new ATOM 0 HA LEU B 57 -4.694 -13.130 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -3.677 -11.096 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -5.155 -10.196 -2.069 1.00 0.00 H new ATOM 0 HG LEU B 57 -5.322 -12.535 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -4.472 -11.115 1.627 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -3.203 -11.400 0.412 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.058 -9.840 0.457 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -6.826 -10.956 0.941 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -6.382 -9.679 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -7.275 -11.114 -0.773 1.00 0.00 H new ATOM 1753 N LYS B 58 -7.389 -11.331 -3.262 1.00 0.00 N ATOM 1754 CA LYS B 58 -8.847 -11.354 -3.430 1.00 0.00 C ATOM 1755 C LYS B 58 -9.255 -12.375 -4.506 1.00 0.00 C ATOM 1756 O LYS B 58 -10.190 -13.167 -4.319 1.00 0.00 O ATOM 1757 CB LYS B 58 -9.318 -9.960 -3.874 1.00 0.00 C ATOM 1758 CG LYS B 58 -10.828 -9.820 -4.039 1.00 0.00 C ATOM 1759 CD LYS B 58 -11.214 -8.492 -4.701 1.00 0.00 C ATOM 1760 CE LYS B 58 -10.725 -8.425 -6.151 1.00 0.00 C ATOM 1761 NZ LYS B 58 -11.174 -7.199 -6.839 1.00 0.00 N ATOM 0 H LYS B 58 -6.986 -10.399 -3.359 1.00 0.00 H new ATOM 0 HA LYS B 58 -9.305 -11.635 -2.482 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -8.976 -9.226 -3.144 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -8.838 -9.714 -4.821 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -11.205 -10.647 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -11.307 -9.891 -3.063 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -12.297 -8.373 -4.675 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -10.789 -7.664 -4.134 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -9.636 -8.469 -6.167 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -11.088 -9.297 -6.695 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -10.818 -7.199 -7.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -12.213 -7.167 -6.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -10.807 -6.365 -6.337 1.00 0.00 H new ATOM 1775 N THR B 59 -8.523 -12.351 -5.601 1.00 0.00 N ATOM 1776 CA THR B 59 -8.779 -13.188 -6.753 1.00 0.00 C ATOM 1777 C THR B 59 -8.695 -14.686 -6.406 1.00 0.00 C ATOM 1778 O THR B 59 -9.677 -15.433 -6.602 1.00 0.00 O ATOM 1779 CB THR B 59 -7.793 -12.823 -7.892 1.00 0.00 C ATOM 1780 OG1 THR B 59 -7.995 -11.444 -8.262 1.00 0.00 O ATOM 1781 CG2 THR B 59 -7.984 -13.702 -9.113 1.00 0.00 C ATOM 0 H THR B 59 -7.717 -11.736 -5.716 1.00 0.00 H new ATOM 0 HA THR B 59 -9.799 -13.001 -7.090 1.00 0.00 H new ATOM 0 HB THR B 59 -6.779 -12.982 -7.525 1.00 0.00 H new ATOM 0 HG1 THR B 59 -7.520 -10.863 -7.632 1.00 0.00 H new ATOM 0 HG21 THR B 59 -7.272 -13.411 -9.886 1.00 0.00 H new ATOM 0 HG22 THR B 59 -7.818 -14.744 -8.841 1.00 0.00 H new ATOM 0 HG23 THR B 59 -8.999 -13.583 -9.491 1.00 0.00 H new ATOM 1789 N LEU B 60 -7.568 -15.112 -5.844 1.00 0.00 N ATOM 1790 CA LEU B 60 -7.370 -16.520 -5.520 1.00 0.00 C ATOM 1791 C LEU B 60 -8.250 -16.979 -4.365 1.00 0.00 C ATOM 1792 O LEU B 60 -8.675 -18.137 -4.337 1.00 0.00 O ATOM 1793 CB LEU B 60 -5.882 -16.888 -5.277 1.00 0.00 C ATOM 1794 CG LEU B 60 -4.962 -17.053 -6.524 1.00 0.00 C ATOM 1795 CD1 LEU B 60 -5.500 -18.113 -7.472 1.00 0.00 C ATOM 1796 CD2 LEU B 60 -4.737 -15.743 -7.263 1.00 0.00 C ATOM 0 H LEU B 60 -6.783 -14.507 -5.605 1.00 0.00 H new ATOM 0 HA LEU B 60 -7.684 -17.068 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -5.447 -16.119 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -5.855 -17.822 -4.715 1.00 0.00 H new ATOM 0 HG LEU B 60 -3.993 -17.382 -6.148 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -4.836 -18.204 -8.331 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -5.556 -19.070 -6.954 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -6.495 -17.826 -7.812 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.089 -15.917 -8.122 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -5.694 -15.348 -7.604 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -4.266 -15.024 -6.593 1.00 0.00 H new ATOM 1808 N ILE B 61 -8.541 -16.079 -3.432 1.00 0.00 N ATOM 1809 CA ILE B 61 -9.411 -16.416 -2.313 1.00 0.00 C ATOM 1810 C ILE B 61 -10.827 -16.682 -2.772 1.00 0.00 C ATOM 1811 O ILE B 61 -11.354 -17.769 -2.563 1.00 0.00 O ATOM 1812 CB ILE B 61 -9.408 -15.335 -1.192 1.00 0.00 C ATOM 1813 CG1 ILE B 61 -8.060 -15.319 -0.484 1.00 0.00 C ATOM 1814 CG2 ILE B 61 -10.543 -15.557 -0.176 1.00 0.00 C ATOM 1815 CD1 ILE B 61 -7.718 -16.628 0.211 1.00 0.00 C ATOM 0 H ILE B 61 -8.191 -15.121 -3.428 1.00 0.00 H new ATOM 0 HA ILE B 61 -9.000 -17.330 -1.884 1.00 0.00 H new ATOM 0 HB ILE B 61 -9.579 -14.368 -1.665 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -7.281 -15.090 -1.211 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -8.056 -14.515 0.252 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -10.504 -14.781 0.588 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -11.504 -15.513 -0.689 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -10.426 -16.534 0.293 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -6.744 -16.541 0.693 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -8.476 -16.850 0.962 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -7.689 -17.433 -0.523 1.00 0.00 H new ATOM 1827 N LEU B 62 -11.422 -15.734 -3.466 1.00 0.00 N ATOM 1828 CA LEU B 62 -12.810 -15.867 -3.865 1.00 0.00 C ATOM 1829 C LEU B 62 -12.959 -17.078 -4.800 1.00 0.00 C ATOM 1830 O LEU B 62 -13.973 -17.784 -4.773 1.00 0.00 O ATOM 1831 CB LEU B 62 -13.305 -14.545 -4.510 1.00 0.00 C ATOM 1832 CG LEU B 62 -14.842 -14.257 -4.534 1.00 0.00 C ATOM 1833 CD1 LEU B 62 -15.606 -15.165 -5.479 1.00 0.00 C ATOM 1834 CD2 LEU B 62 -15.431 -14.336 -3.127 1.00 0.00 C ATOM 0 H LEU B 62 -10.972 -14.869 -3.764 1.00 0.00 H new ATOM 0 HA LEU B 62 -13.440 -16.048 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU B 62 -12.821 -13.720 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU B 62 -12.948 -14.524 -5.540 1.00 0.00 H new ATOM 0 HG LEU B 62 -14.956 -13.242 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU B 62 -16.666 -14.913 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU B 62 -15.231 -15.032 -6.494 1.00 0.00 H new ATOM 0 HD13 LEU B 62 -15.471 -16.203 -5.175 1.00 0.00 H new ATOM 0 HD21 LEU B 62 -16.501 -14.132 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU B 62 -15.267 -15.334 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU B 62 -14.946 -13.599 -2.487 1.00 0.00 H new ATOM 1846 N ASP B 63 -11.897 -17.383 -5.521 1.00 0.00 N ATOM 1847 CA ASP B 63 -11.923 -18.480 -6.465 1.00 0.00 C ATOM 1848 C ASP B 63 -11.728 -19.825 -5.800 1.00 0.00 C ATOM 1849 O ASP B 63 -12.116 -20.850 -6.345 1.00 0.00 O ATOM 1850 CB ASP B 63 -10.867 -18.339 -7.482 1.00 0.00 C ATOM 1851 CG ASP B 63 -11.351 -18.656 -8.861 1.00 0.00 C ATOM 1852 OD1 ASP B 63 -12.226 -17.930 -9.359 1.00 0.00 O ATOM 1853 OD2 ASP B 63 -10.885 -19.622 -9.471 1.00 0.00 O ATOM 0 H ASP B 63 -11.007 -16.886 -5.470 1.00 0.00 H new ATOM 0 HA ASP B 63 -12.911 -18.440 -6.924 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -10.482 -17.320 -7.462 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -10.036 -18.999 -7.232 1.00 0.00 H new ATOM 1858 N ALA B 64 -11.078 -19.846 -4.674 1.00 0.00 N ATOM 1859 CA ALA B 64 -10.856 -21.106 -4.004 1.00 0.00 C ATOM 1860 C ALA B 64 -12.052 -21.496 -3.164 1.00 0.00 C ATOM 1861 O ALA B 64 -12.350 -22.678 -2.987 1.00 0.00 O ATOM 1862 CB ALA B 64 -9.592 -21.081 -3.168 1.00 0.00 C ATOM 0 H ALA B 64 -10.696 -19.026 -4.202 1.00 0.00 H new ATOM 0 HA ALA B 64 -10.723 -21.864 -4.776 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -9.460 -22.046 -2.680 1.00 0.00 H new ATOM 0 HB2 ALA B 64 -8.735 -20.879 -3.810 1.00 0.00 H new ATOM 0 HB3 ALA B 64 -9.671 -20.300 -2.412 1.00 0.00 H new ATOM 1868 N LEU B 65 -12.733 -20.512 -2.637 1.00 0.00 N ATOM 1869 CA LEU B 65 -13.881 -20.782 -1.795 1.00 0.00 C ATOM 1870 C LEU B 65 -15.140 -20.851 -2.606 1.00 0.00 C ATOM 1871 O LEU B 65 -16.054 -21.592 -2.256 1.00 0.00 O ATOM 1872 CB LEU B 65 -14.013 -19.795 -0.614 1.00 0.00 C ATOM 1873 CG LEU B 65 -12.891 -19.850 0.446 1.00 0.00 C ATOM 1874 CD1 LEU B 65 -11.595 -19.353 -0.116 1.00 0.00 C ATOM 1875 CD2 LEU B 65 -13.253 -19.058 1.679 1.00 0.00 C ATOM 0 H LEU B 65 -12.520 -19.524 -2.771 1.00 0.00 H new ATOM 0 HA LEU B 65 -13.714 -21.761 -1.346 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -14.056 -18.783 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -14.965 -19.981 -0.116 1.00 0.00 H new ATOM 0 HG LEU B 65 -12.773 -20.895 0.733 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -10.823 -19.403 0.652 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -11.304 -19.973 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -11.713 -18.321 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -12.440 -19.120 2.403 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -13.418 -18.016 1.406 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -14.163 -19.466 2.120 1.00 0.00 H new ATOM 1887 N LYS B 66 -15.172 -20.084 -3.714 1.00 0.00 N ATOM 1888 CA LYS B 66 -16.298 -20.091 -4.650 1.00 0.00 C ATOM 1889 C LYS B 66 -17.593 -19.761 -3.927 1.00 0.00 C ATOM 1890 O LYS B 66 -18.543 -20.547 -3.891 1.00 0.00 O ATOM 1891 CB LYS B 66 -16.355 -21.442 -5.375 1.00 0.00 C ATOM 1892 CG LYS B 66 -15.152 -21.755 -6.304 1.00 0.00 C ATOM 1893 CD LYS B 66 -15.285 -21.114 -7.657 1.00 0.00 C ATOM 1894 CE LYS B 66 -14.607 -19.795 -7.680 1.00 0.00 C ATOM 1895 NZ LYS B 66 -14.663 -19.160 -9.015 1.00 0.00 N ATOM 0 H LYS B 66 -14.419 -19.448 -3.978 1.00 0.00 H new ATOM 0 HA LYS B 66 -16.157 -19.317 -5.405 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -16.430 -22.232 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -17.268 -21.477 -5.969 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -14.233 -21.409 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -15.062 -22.835 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -14.852 -21.764 -8.417 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -16.339 -20.991 -7.905 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -15.073 -19.136 -6.947 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -13.566 -19.919 -7.382 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -13.858 -18.511 -9.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -14.619 -19.894 -9.751 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -15.552 -18.628 -9.109 1.00 0.00 H new ATOM 1909 N LYS B 67 -17.587 -18.603 -3.312 1.00 0.00 N ATOM 1910 CA LYS B 67 -18.712 -18.139 -2.553 1.00 0.00 C ATOM 1911 C LYS B 67 -19.803 -17.597 -3.457 1.00 0.00 C ATOM 1912 O LYS B 67 -20.823 -18.253 -3.672 1.00 0.00 O ATOM 1913 CB LYS B 67 -18.274 -17.102 -1.524 1.00 0.00 C ATOM 1914 CG LYS B 67 -17.366 -17.656 -0.441 1.00 0.00 C ATOM 1915 CD LYS B 67 -16.994 -16.597 0.563 1.00 0.00 C ATOM 1916 CE LYS B 67 -16.213 -17.191 1.712 1.00 0.00 C ATOM 1917 NZ LYS B 67 -17.013 -18.147 2.515 1.00 0.00 N ATOM 0 H LYS B 67 -16.797 -17.958 -3.327 1.00 0.00 H new ATOM 0 HA LYS B 67 -19.132 -18.990 -2.016 1.00 0.00 H new ATOM 0 HB2 LYS B 67 -17.758 -16.291 -2.037 1.00 0.00 H new ATOM 0 HB3 LYS B 67 -19.160 -16.671 -1.057 1.00 0.00 H new ATOM 0 HG2 LYS B 67 -17.865 -18.481 0.067 1.00 0.00 H new ATOM 0 HG3 LYS B 67 -16.462 -18.062 -0.895 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -16.401 -15.823 0.077 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -17.896 -16.117 0.942 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -15.331 -17.699 1.322 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -15.858 -16.388 2.358 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -16.549 -18.303 3.433 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -17.965 -17.759 2.670 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -17.086 -19.051 2.006 1.00 0.00 H new ATOM 1931 N ASP B 68 -19.586 -16.431 -4.014 1.00 0.00 N ATOM 1932 CA ASP B 68 -20.571 -15.805 -4.879 1.00 0.00 C ATOM 1933 C ASP B 68 -19.903 -14.648 -5.523 1.00 0.00 C ATOM 1934 O ASP B 68 -18.965 -14.079 -4.942 1.00 0.00 O ATOM 1935 CB ASP B 68 -21.754 -15.278 -4.065 1.00 0.00 C ATOM 1936 CG ASP B 68 -23.001 -14.982 -4.876 1.00 0.00 C ATOM 1937 OD1 ASP B 68 -22.977 -14.082 -5.715 1.00 0.00 O ATOM 1938 OD2 ASP B 68 -24.034 -15.645 -4.670 1.00 0.00 O ATOM 0 H ASP B 68 -18.732 -15.889 -3.886 1.00 0.00 H new ATOM 0 HA ASP B 68 -20.942 -16.530 -5.604 1.00 0.00 H new ATOM 0 HB2 ASP B 68 -22.003 -16.009 -3.296 1.00 0.00 H new ATOM 0 HB3 ASP B 68 -21.447 -14.367 -3.551 1.00 0.00 H new ATOM 1943 N SER B 69 -20.365 -14.267 -6.662 1.00 0.00 N ATOM 1944 CA SER B 69 -19.770 -13.187 -7.348 1.00 0.00 C ATOM 1945 C SER B 69 -20.375 -11.851 -6.847 1.00 0.00 C ATOM 1946 O SER B 69 -19.741 -10.790 -6.926 1.00 0.00 O ATOM 1947 CB SER B 69 -19.901 -13.373 -8.869 1.00 0.00 C ATOM 1948 OG SER B 69 -19.077 -12.475 -9.600 1.00 0.00 O ATOM 0 H SER B 69 -21.160 -14.695 -7.137 1.00 0.00 H new ATOM 0 HA SER B 69 -18.702 -13.158 -7.134 1.00 0.00 H new ATOM 0 HB2 SER B 69 -19.637 -14.398 -9.131 1.00 0.00 H new ATOM 0 HB3 SER B 69 -20.941 -13.227 -9.161 1.00 0.00 H new ATOM 0 HG SER B 69 -19.193 -12.632 -10.560 1.00 0.00 H new ATOM 1954 N SER B 70 -21.562 -11.915 -6.266 1.00 0.00 N ATOM 1955 CA SER B 70 -22.209 -10.741 -5.731 1.00 0.00 C ATOM 1956 C SER B 70 -21.511 -10.328 -4.445 1.00 0.00 C ATOM 1957 O SER B 70 -21.285 -9.153 -4.196 1.00 0.00 O ATOM 1958 CB SER B 70 -23.698 -11.005 -5.480 1.00 0.00 C ATOM 1959 OG SER B 70 -24.369 -9.828 -5.044 1.00 0.00 O ATOM 0 H SER B 70 -22.096 -12.777 -6.155 1.00 0.00 H new ATOM 0 HA SER B 70 -22.136 -9.931 -6.456 1.00 0.00 H new ATOM 0 HB2 SER B 70 -24.163 -11.373 -6.395 1.00 0.00 H new ATOM 0 HB3 SER B 70 -23.809 -11.788 -4.729 1.00 0.00 H new ATOM 0 HG SER B 70 -25.317 -10.028 -4.894 1.00 0.00 H new ATOM 1965 N ARG B 71 -21.104 -11.312 -3.662 1.00 0.00 N ATOM 1966 CA ARG B 71 -20.399 -11.050 -2.414 1.00 0.00 C ATOM 1967 C ARG B 71 -18.930 -10.774 -2.686 1.00 0.00 C ATOM 1968 O ARG B 71 -18.188 -10.436 -1.791 1.00 0.00 O ATOM 1969 CB ARG B 71 -20.664 -12.175 -1.391 1.00 0.00 C ATOM 1970 CG ARG B 71 -19.973 -13.494 -1.656 1.00 0.00 C ATOM 1971 CD ARG B 71 -18.655 -13.550 -0.933 1.00 0.00 C ATOM 1972 NE ARG B 71 -18.845 -13.548 0.525 1.00 0.00 N ATOM 1973 CZ ARG B 71 -18.420 -12.599 1.367 1.00 0.00 C ATOM 1974 NH1 ARG B 71 -17.952 -11.460 0.908 1.00 0.00 N ATOM 1975 NH2 ARG B 71 -18.537 -12.768 2.670 1.00 0.00 N ATOM 0 H ARG B 71 -21.248 -12.301 -3.866 1.00 0.00 H new ATOM 0 HA ARG B 71 -20.787 -10.144 -1.949 1.00 0.00 H new ATOM 0 HB2 ARG B 71 -20.360 -11.821 -0.406 1.00 0.00 H new ATOM 0 HB3 ARG B 71 -21.738 -12.353 -1.348 1.00 0.00 H new ATOM 0 HG2 ARG B 71 -20.609 -14.317 -1.330 1.00 0.00 H new ATOM 0 HG3 ARG B 71 -19.813 -13.619 -2.727 1.00 0.00 H new ATOM 0 HD2 ARG B 71 -18.113 -14.448 -1.230 1.00 0.00 H new ATOM 0 HD3 ARG B 71 -18.042 -12.697 -1.223 1.00 0.00 H new ATOM 0 HE ARG B 71 -19.345 -14.340 0.930 1.00 0.00 H new ATOM 0 HH11 ARG B 71 -17.911 -11.294 -0.098 1.00 0.00 H new ATOM 0 HH12 ARG B 71 -17.630 -10.742 1.557 1.00 0.00 H new ATOM 0 HH21 ARG B 71 -18.952 -13.624 3.038 1.00 0.00 H new ATOM 0 HH22 ARG B 71 -18.212 -12.043 3.310 1.00 0.00 H new ATOM 1989 N HIS B 72 -18.536 -10.950 -3.942 1.00 0.00 N ATOM 1990 CA HIS B 72 -17.238 -10.522 -4.435 1.00 0.00 C ATOM 1991 C HIS B 72 -17.365 -9.024 -4.752 1.00 0.00 C ATOM 1992 O HIS B 72 -16.511 -8.220 -4.404 1.00 0.00 O ATOM 1993 CB HIS B 72 -16.860 -11.319 -5.711 1.00 0.00 C ATOM 1994 CG HIS B 72 -15.465 -11.073 -6.267 1.00 0.00 C ATOM 1995 ND1 HIS B 72 -14.891 -11.841 -7.256 1.00 0.00 N ATOM 1996 CD2 HIS B 72 -14.535 -10.132 -5.954 1.00 0.00 C ATOM 1997 CE1 HIS B 72 -13.669 -11.364 -7.501 1.00 0.00 C ATOM 1998 NE2 HIS B 72 -13.403 -10.323 -6.737 1.00 0.00 N ATOM 0 H HIS B 72 -19.116 -11.398 -4.651 1.00 0.00 H new ATOM 0 HA HIS B 72 -16.455 -10.700 -3.698 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -16.960 -12.382 -5.493 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -17.586 -11.084 -6.490 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -15.326 -12.638 -7.721 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -14.657 -9.357 -5.212 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -12.987 -11.777 -8.230 1.00 0.00 H new ATOM 2006 N SER B 73 -18.503 -8.655 -5.342 1.00 0.00 N ATOM 2007 CA SER B 73 -18.810 -7.261 -5.679 1.00 0.00 C ATOM 2008 C SER B 73 -19.284 -6.483 -4.421 1.00 0.00 C ATOM 2009 O SER B 73 -19.766 -5.352 -4.502 1.00 0.00 O ATOM 2010 CB SER B 73 -19.895 -7.221 -6.763 1.00 0.00 C ATOM 2011 OG SER B 73 -19.511 -7.964 -7.929 1.00 0.00 O ATOM 0 H SER B 73 -19.239 -9.313 -5.600 1.00 0.00 H new ATOM 0 HA SER B 73 -17.905 -6.784 -6.055 1.00 0.00 H new ATOM 0 HB2 SER B 73 -20.824 -7.627 -6.363 1.00 0.00 H new ATOM 0 HB3 SER B 73 -20.093 -6.186 -7.041 1.00 0.00 H new ATOM 0 HG SER B 73 -19.543 -8.923 -7.731 1.00 0.00 H new ATOM 2017 N LYS B 74 -19.143 -7.113 -3.285 1.00 0.00 N ATOM 2018 CA LYS B 74 -19.491 -6.546 -2.005 1.00 0.00 C ATOM 2019 C LYS B 74 -18.399 -6.944 -1.010 1.00 0.00 C ATOM 2020 O LYS B 74 -18.613 -7.080 0.192 1.00 0.00 O ATOM 2021 CB LYS B 74 -20.909 -7.030 -1.583 1.00 0.00 C ATOM 2022 CG LYS B 74 -21.485 -6.554 -0.211 1.00 0.00 C ATOM 2023 CD LYS B 74 -21.550 -5.018 -0.007 1.00 0.00 C ATOM 2024 CE LYS B 74 -20.202 -4.416 0.401 1.00 0.00 C ATOM 2025 NZ LYS B 74 -20.289 -2.991 0.784 1.00 0.00 N ATOM 0 H LYS B 74 -18.773 -8.061 -3.221 1.00 0.00 H new ATOM 0 HA LYS B 74 -19.541 -5.458 -2.044 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -21.609 -6.722 -2.360 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -20.898 -8.120 -1.577 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -22.490 -6.960 -0.099 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -20.877 -6.983 0.586 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -21.888 -4.547 -0.930 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -22.292 -4.789 0.758 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -19.796 -4.985 1.237 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -19.500 -4.520 -0.426 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -19.367 -2.672 1.145 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -20.551 -2.423 -0.047 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -21.010 -2.874 1.524 1.00 0.00 H new ATOM 2039 N LEU B 75 -17.219 -7.102 -1.523 1.00 0.00 N ATOM 2040 CA LEU B 75 -16.098 -7.398 -0.697 1.00 0.00 C ATOM 2041 C LEU B 75 -15.481 -6.153 -0.125 1.00 0.00 C ATOM 2042 O LEU B 75 -14.866 -5.345 -0.834 1.00 0.00 O ATOM 2043 CB LEU B 75 -15.067 -8.254 -1.413 1.00 0.00 C ATOM 2044 CG LEU B 75 -15.321 -9.749 -1.380 1.00 0.00 C ATOM 2045 CD1 LEU B 75 -14.334 -10.499 -2.240 1.00 0.00 C ATOM 2046 CD2 LEU B 75 -15.267 -10.263 0.050 1.00 0.00 C ATOM 0 H LEU B 75 -17.010 -7.030 -2.519 1.00 0.00 H new ATOM 0 HA LEU B 75 -16.474 -7.988 0.139 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -15.016 -7.935 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -14.090 -8.060 -0.972 1.00 0.00 H new ATOM 0 HG LEU B 75 -16.318 -9.924 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -14.547 -11.567 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -14.418 -10.159 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -13.322 -10.314 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -15.451 -11.337 0.058 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -14.283 -10.060 0.473 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -16.028 -9.760 0.646 1.00 0.00 H new ATOM 2058 N GLU B 76 -15.699 -5.981 1.147 1.00 0.00 N ATOM 2059 CA GLU B 76 -15.093 -4.921 1.902 1.00 0.00 C ATOM 2060 C GLU B 76 -13.640 -5.293 2.092 1.00 0.00 C ATOM 2061 O GLU B 76 -13.331 -6.470 2.169 1.00 0.00 O ATOM 2062 CB GLU B 76 -15.756 -4.844 3.267 1.00 0.00 C ATOM 2063 CG GLU B 76 -17.243 -4.579 3.222 1.00 0.00 C ATOM 2064 CD GLU B 76 -17.576 -3.150 2.911 1.00 0.00 C ATOM 2065 OE1 GLU B 76 -17.627 -2.335 3.854 1.00 0.00 O ATOM 2066 OE2 GLU B 76 -17.813 -2.813 1.750 1.00 0.00 O ATOM 0 H GLU B 76 -16.312 -6.582 1.698 1.00 0.00 H new ATOM 0 HA GLU B 76 -15.198 -3.964 1.391 1.00 0.00 H new ATOM 0 HB2 GLU B 76 -15.582 -5.781 3.796 1.00 0.00 H new ATOM 0 HB3 GLU B 76 -15.276 -4.056 3.847 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -17.699 -5.224 2.471 1.00 0.00 H new ATOM 0 HG3 GLU B 76 -17.683 -4.848 4.182 1.00 0.00 H new ATOM 2073 N LYS B 77 -12.762 -4.320 2.162 1.00 0.00 N ATOM 2074 CA LYS B 77 -11.328 -4.572 2.355 1.00 0.00 C ATOM 2075 C LYS B 77 -11.050 -5.506 3.540 1.00 0.00 C ATOM 2076 O LYS B 77 -10.262 -6.440 3.439 1.00 0.00 O ATOM 2077 CB LYS B 77 -10.579 -3.254 2.490 1.00 0.00 C ATOM 2078 CG LYS B 77 -9.102 -3.417 2.814 1.00 0.00 C ATOM 2079 CD LYS B 77 -8.284 -2.190 2.429 1.00 0.00 C ATOM 2080 CE LYS B 77 -8.268 -1.971 0.918 1.00 0.00 C ATOM 2081 NZ LYS B 77 -7.561 -0.735 0.552 1.00 0.00 N ATOM 0 H LYS B 77 -13.006 -3.332 2.089 1.00 0.00 H new ATOM 0 HA LYS B 77 -10.961 -5.092 1.470 1.00 0.00 H new ATOM 0 HB2 LYS B 77 -10.678 -2.694 1.560 1.00 0.00 H new ATOM 0 HB3 LYS B 77 -11.049 -2.658 3.272 1.00 0.00 H new ATOM 0 HG2 LYS B 77 -8.986 -3.608 3.881 1.00 0.00 H new ATOM 0 HG3 LYS B 77 -8.712 -4.289 2.290 1.00 0.00 H new ATOM 0 HD2 LYS B 77 -8.697 -1.309 2.920 1.00 0.00 H new ATOM 0 HD3 LYS B 77 -7.262 -2.306 2.790 1.00 0.00 H new ATOM 0 HE2 LYS B 77 -7.788 -2.821 0.433 1.00 0.00 H new ATOM 0 HE3 LYS B 77 -9.292 -1.928 0.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 -7.572 -0.622 -0.482 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 -8.033 0.079 0.994 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 -6.577 -0.787 0.884 1.00 0.00 H new ATOM 2095 N ALA B 78 -11.745 -5.271 4.618 1.00 0.00 N ATOM 2096 CA ALA B 78 -11.638 -6.084 5.822 1.00 0.00 C ATOM 2097 C ALA B 78 -12.155 -7.506 5.577 1.00 0.00 C ATOM 2098 O ALA B 78 -11.637 -8.476 6.129 1.00 0.00 O ATOM 2099 CB ALA B 78 -12.432 -5.435 6.931 1.00 0.00 C ATOM 0 H ALA B 78 -12.412 -4.504 4.698 1.00 0.00 H new ATOM 0 HA ALA B 78 -10.588 -6.151 6.105 1.00 0.00 H new ATOM 0 HB1 ALA B 78 -12.356 -6.039 7.835 1.00 0.00 H new ATOM 0 HB2 ALA B 78 -12.037 -4.438 7.126 1.00 0.00 H new ATOM 0 HB3 ALA B 78 -13.478 -5.358 6.633 1.00 0.00 H new ATOM 2105 N ASP B 79 -13.122 -7.612 4.685 1.00 0.00 N ATOM 2106 CA ASP B 79 -13.798 -8.877 4.394 1.00 0.00 C ATOM 2107 C ASP B 79 -12.865 -9.728 3.588 1.00 0.00 C ATOM 2108 O ASP B 79 -12.714 -10.915 3.830 1.00 0.00 O ATOM 2109 CB ASP B 79 -15.109 -8.614 3.629 1.00 0.00 C ATOM 2110 CG ASP B 79 -16.059 -9.810 3.585 1.00 0.00 C ATOM 2111 OD1 ASP B 79 -15.967 -10.708 4.443 1.00 0.00 O ATOM 2112 OD2 ASP B 79 -16.947 -9.838 2.712 1.00 0.00 O ATOM 0 H ASP B 79 -13.467 -6.824 4.136 1.00 0.00 H new ATOM 0 HA ASP B 79 -14.056 -9.394 5.318 1.00 0.00 H new ATOM 0 HB2 ASP B 79 -15.624 -7.772 4.092 1.00 0.00 H new ATOM 0 HB3 ASP B 79 -14.868 -8.318 2.608 1.00 0.00 H new ATOM 2117 N ILE B 80 -12.179 -9.071 2.690 1.00 0.00 N ATOM 2118 CA ILE B 80 -11.187 -9.675 1.827 1.00 0.00 C ATOM 2119 C ILE B 80 -9.986 -10.163 2.646 1.00 0.00 C ATOM 2120 O ILE B 80 -9.608 -11.336 2.566 1.00 0.00 O ATOM 2121 CB ILE B 80 -10.724 -8.638 0.777 1.00 0.00 C ATOM 2122 CG1 ILE B 80 -11.928 -8.175 -0.018 1.00 0.00 C ATOM 2123 CG2 ILE B 80 -9.678 -9.234 -0.154 1.00 0.00 C ATOM 2124 CD1 ILE B 80 -11.716 -6.911 -0.800 1.00 0.00 C ATOM 0 H ILE B 80 -12.296 -8.070 2.531 1.00 0.00 H new ATOM 0 HA ILE B 80 -11.630 -10.534 1.323 1.00 0.00 H new ATOM 0 HB ILE B 80 -10.269 -7.791 1.289 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -12.218 -8.968 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -12.763 -8.027 0.667 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -9.370 -8.484 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -8.813 -9.553 0.427 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -10.101 -10.093 -0.675 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -12.630 -6.657 -1.337 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -11.459 -6.100 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -10.905 -7.056 -1.514 1.00 0.00 H new ATOM 2136 N LEU B 81 -9.422 -9.274 3.462 1.00 0.00 N ATOM 2137 CA LEU B 81 -8.238 -9.605 4.261 1.00 0.00 C ATOM 2138 C LEU B 81 -8.491 -10.795 5.171 1.00 0.00 C ATOM 2139 O LEU B 81 -7.744 -11.783 5.131 1.00 0.00 O ATOM 2140 CB LEU B 81 -7.764 -8.429 5.112 1.00 0.00 C ATOM 2141 CG LEU B 81 -7.359 -7.144 4.401 1.00 0.00 C ATOM 2142 CD1 LEU B 81 -6.842 -6.151 5.420 1.00 0.00 C ATOM 2143 CD2 LEU B 81 -6.299 -7.405 3.335 1.00 0.00 C ATOM 0 H LEU B 81 -9.763 -8.321 3.589 1.00 0.00 H new ATOM 0 HA LEU B 81 -7.458 -9.855 3.542 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -8.560 -8.184 5.815 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.911 -8.767 5.701 1.00 0.00 H new ATOM 0 HG LEU B 81 -8.236 -6.736 3.899 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -6.551 -5.230 4.915 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -7.625 -5.935 6.147 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -5.977 -6.573 5.933 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.034 -6.467 2.848 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.413 -7.835 3.801 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.692 -8.100 2.593 1.00 0.00 H new ATOM 2155 N GLU B 82 -9.561 -10.732 5.961 1.00 0.00 N ATOM 2156 CA GLU B 82 -9.848 -11.792 6.872 1.00 0.00 C ATOM 2157 C GLU B 82 -10.244 -13.053 6.131 1.00 0.00 C ATOM 2158 O GLU B 82 -9.949 -14.115 6.586 1.00 0.00 O ATOM 2159 CB GLU B 82 -10.907 -11.400 7.913 1.00 0.00 C ATOM 2160 CG GLU B 82 -11.214 -12.491 8.888 1.00 0.00 C ATOM 2161 CD GLU B 82 -12.317 -12.168 9.848 1.00 0.00 C ATOM 2162 OE1 GLU B 82 -12.032 -11.625 10.935 1.00 0.00 O ATOM 2163 OE2 GLU B 82 -13.495 -12.476 9.537 1.00 0.00 O ATOM 0 H GLU B 82 -10.226 -9.959 5.975 1.00 0.00 H new ATOM 0 HA GLU B 82 -8.930 -11.995 7.423 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -10.562 -10.522 8.459 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -11.824 -11.115 7.398 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -11.482 -13.391 8.335 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -10.311 -12.721 9.454 1.00 0.00 H new ATOM 2170 N MET B 83 -10.820 -12.927 4.932 1.00 0.00 N ATOM 2171 CA MET B 83 -11.281 -14.109 4.194 1.00 0.00 C ATOM 2172 C MET B 83 -10.082 -14.965 3.843 1.00 0.00 C ATOM 2173 O MET B 83 -10.125 -16.189 3.915 1.00 0.00 O ATOM 2174 CB MET B 83 -12.019 -13.712 2.912 1.00 0.00 C ATOM 2175 CG MET B 83 -12.864 -14.827 2.322 1.00 0.00 C ATOM 2176 SD MET B 83 -14.206 -15.306 3.419 1.00 0.00 S ATOM 2177 CE MET B 83 -15.234 -13.839 3.353 1.00 0.00 C ATOM 0 H MET B 83 -10.977 -12.038 4.458 1.00 0.00 H new ATOM 0 HA MET B 83 -11.976 -14.665 4.824 1.00 0.00 H new ATOM 0 HB2 MET B 83 -12.660 -12.856 3.123 1.00 0.00 H new ATOM 0 HB3 MET B 83 -11.290 -13.389 2.169 1.00 0.00 H new ATOM 0 HG2 MET B 83 -13.275 -14.503 1.366 1.00 0.00 H new ATOM 0 HG3 MET B 83 -12.233 -15.693 2.121 1.00 0.00 H new ATOM 0 HE1 MET B 83 -16.236 -14.081 3.707 1.00 0.00 H new ATOM 0 HE2 MET B 83 -14.803 -13.064 3.987 1.00 0.00 H new ATOM 0 HE3 MET B 83 -15.289 -13.479 2.326 1.00 0.00 H new ATOM 2187 N THR B 84 -9.007 -14.283 3.538 1.00 0.00 N ATOM 2188 CA THR B 84 -7.739 -14.873 3.205 1.00 0.00 C ATOM 2189 C THR B 84 -7.169 -15.614 4.434 1.00 0.00 C ATOM 2190 O THR B 84 -6.732 -16.762 4.345 1.00 0.00 O ATOM 2191 CB THR B 84 -6.794 -13.741 2.749 1.00 0.00 C ATOM 2192 OG1 THR B 84 -7.530 -12.915 1.844 1.00 0.00 O ATOM 2193 CG2 THR B 84 -5.585 -14.277 1.997 1.00 0.00 C ATOM 0 H THR B 84 -8.993 -13.263 3.515 1.00 0.00 H new ATOM 0 HA THR B 84 -7.848 -15.602 2.402 1.00 0.00 H new ATOM 0 HB THR B 84 -6.442 -13.204 3.630 1.00 0.00 H new ATOM 0 HG1 THR B 84 -8.124 -12.323 2.351 1.00 0.00 H new ATOM 0 HG21 THR B 84 -4.947 -13.447 1.695 1.00 0.00 H new ATOM 0 HG22 THR B 84 -5.023 -14.950 2.645 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.918 -14.819 1.112 1.00 0.00 H new ATOM 2201 N VAL B 85 -7.251 -14.965 5.588 1.00 0.00 N ATOM 2202 CA VAL B 85 -6.776 -15.539 6.849 1.00 0.00 C ATOM 2203 C VAL B 85 -7.653 -16.741 7.269 1.00 0.00 C ATOM 2204 O VAL B 85 -7.160 -17.750 7.760 1.00 0.00 O ATOM 2205 CB VAL B 85 -6.807 -14.487 7.978 1.00 0.00 C ATOM 2206 CG1 VAL B 85 -6.229 -15.035 9.273 1.00 0.00 C ATOM 2207 CG2 VAL B 85 -6.093 -13.229 7.564 1.00 0.00 C ATOM 0 H VAL B 85 -7.646 -14.029 5.681 1.00 0.00 H new ATOM 0 HA VAL B 85 -5.751 -15.872 6.689 1.00 0.00 H new ATOM 0 HB VAL B 85 -7.853 -14.241 8.163 1.00 0.00 H new ATOM 0 HG11 VAL B 85 -6.268 -14.265 10.044 1.00 0.00 H new ATOM 0 HG12 VAL B 85 -6.810 -15.899 9.594 1.00 0.00 H new ATOM 0 HG13 VAL B 85 -5.193 -15.334 9.111 1.00 0.00 H new ATOM 0 HG21 VAL B 85 -6.130 -12.505 8.378 1.00 0.00 H new ATOM 0 HG22 VAL B 85 -5.054 -13.460 7.331 1.00 0.00 H new ATOM 0 HG23 VAL B 85 -6.577 -12.809 6.682 1.00 0.00 H new ATOM 2217 N LYS B 86 -8.941 -16.623 7.071 1.00 0.00 N ATOM 2218 CA LYS B 86 -9.871 -17.680 7.413 1.00 0.00 C ATOM 2219 C LYS B 86 -9.684 -18.887 6.506 1.00 0.00 C ATOM 2220 O LYS B 86 -9.704 -20.032 6.967 1.00 0.00 O ATOM 2221 CB LYS B 86 -11.298 -17.163 7.379 1.00 0.00 C ATOM 2222 CG LYS B 86 -11.486 -15.951 8.278 1.00 0.00 C ATOM 2223 CD LYS B 86 -12.921 -15.554 8.446 1.00 0.00 C ATOM 2224 CE LYS B 86 -13.493 -14.938 7.186 1.00 0.00 C ATOM 2225 NZ LYS B 86 -14.818 -14.336 7.431 1.00 0.00 N ATOM 0 H LYS B 86 -9.379 -15.794 6.669 1.00 0.00 H new ATOM 0 HA LYS B 86 -9.662 -18.010 8.431 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -11.564 -16.900 6.355 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -11.978 -17.955 7.691 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -11.058 -16.164 9.258 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -10.930 -15.110 7.863 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -13.509 -16.430 8.720 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -13.006 -14.843 9.268 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -12.810 -14.176 6.810 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -13.576 -15.701 6.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -15.173 -13.909 6.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -15.480 -15.072 7.750 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -14.736 -13.603 8.164 1.00 0.00 H new ATOM 2239 N HIS B 87 -9.431 -18.631 5.226 1.00 0.00 N ATOM 2240 CA HIS B 87 -9.141 -19.699 4.269 1.00 0.00 C ATOM 2241 C HIS B 87 -7.832 -20.383 4.649 1.00 0.00 C ATOM 2242 O HIS B 87 -7.664 -21.586 4.449 1.00 0.00 O ATOM 2243 CB HIS B 87 -9.089 -19.150 2.830 1.00 0.00 C ATOM 2244 CG HIS B 87 -8.791 -20.175 1.753 1.00 0.00 C ATOM 2245 ND1 HIS B 87 -9.525 -21.328 1.547 1.00 0.00 N ATOM 2246 CD2 HIS B 87 -7.826 -20.184 0.801 1.00 0.00 C ATOM 2247 CE1 HIS B 87 -9.001 -21.978 0.510 1.00 0.00 C ATOM 2248 NE2 HIS B 87 -7.965 -21.327 0.015 1.00 0.00 N ATOM 0 H HIS B 87 -9.420 -17.693 4.825 1.00 0.00 H new ATOM 0 HA HIS B 87 -9.943 -20.436 4.304 1.00 0.00 H new ATOM 0 HB2 HIS B 87 -10.046 -18.679 2.604 1.00 0.00 H new ATOM 0 HB3 HIS B 87 -8.330 -18.369 2.784 1.00 0.00 H new ATOM 0 HD1 HIS B 87 -10.330 -21.629 2.096 1.00 0.00 H new ATOM 0 HD2 HIS B 87 -7.069 -19.425 0.672 1.00 0.00 H new ATOM 0 HE1 HIS B 87 -9.375 -22.915 0.124 1.00 0.00 H new ATOM 2256 N LEU B 88 -6.944 -19.614 5.270 1.00 0.00 N ATOM 2257 CA LEU B 88 -5.685 -20.101 5.747 1.00 0.00 C ATOM 2258 C LEU B 88 -5.933 -21.146 6.804 1.00 0.00 C ATOM 2259 O LEU B 88 -5.323 -22.187 6.794 1.00 0.00 O ATOM 2260 CB LEU B 88 -4.868 -18.920 6.309 1.00 0.00 C ATOM 2261 CG LEU B 88 -3.686 -19.227 7.228 1.00 0.00 C ATOM 2262 CD1 LEU B 88 -2.640 -20.036 6.524 1.00 0.00 C ATOM 2263 CD2 LEU B 88 -3.098 -17.944 7.775 1.00 0.00 C ATOM 0 H LEU B 88 -7.095 -18.622 5.452 1.00 0.00 H new ATOM 0 HA LEU B 88 -5.116 -20.557 4.937 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -4.491 -18.345 5.463 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -5.554 -18.272 6.855 1.00 0.00 H new ATOM 0 HG LEU B 88 -4.054 -19.824 8.062 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -1.814 -20.236 7.207 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -3.073 -20.980 6.191 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -2.271 -19.482 5.661 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -2.257 -18.178 8.428 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -2.754 -17.321 6.950 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -3.859 -17.408 8.342 1.00 0.00 H new ATOM 2275 N ARG B 89 -6.892 -20.880 7.670 1.00 0.00 N ATOM 2276 CA ARG B 89 -7.210 -21.797 8.760 1.00 0.00 C ATOM 2277 C ARG B 89 -7.790 -23.081 8.188 1.00 0.00 C ATOM 2278 O ARG B 89 -7.449 -24.186 8.620 1.00 0.00 O ATOM 2279 CB ARG B 89 -8.215 -21.180 9.759 1.00 0.00 C ATOM 2280 CG ARG B 89 -7.928 -19.733 10.170 1.00 0.00 C ATOM 2281 CD ARG B 89 -6.458 -19.493 10.455 1.00 0.00 C ATOM 2282 NE ARG B 89 -5.925 -20.397 11.492 1.00 0.00 N ATOM 2283 CZ ARG B 89 -4.629 -20.657 11.700 1.00 0.00 C ATOM 2284 NH1 ARG B 89 -3.705 -20.150 10.892 1.00 0.00 N ATOM 2285 NH2 ARG B 89 -4.270 -21.436 12.702 1.00 0.00 N ATOM 0 H ARG B 89 -7.467 -20.038 7.644 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.287 -22.005 9.301 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -9.212 -21.224 9.320 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.235 -21.798 10.657 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -8.256 -19.061 9.377 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -8.512 -19.488 11.057 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -5.887 -19.625 9.536 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.317 -18.460 10.772 1.00 0.00 H new ATOM 0 HE ARG B 89 -6.599 -20.862 12.100 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -3.982 -19.559 10.108 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -2.719 -20.352 11.055 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -4.979 -21.838 13.315 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -3.283 -21.637 12.864 1.00 0.00 H new ATOM 2299 N ASN B 90 -8.636 -22.918 7.190 1.00 0.00 N ATOM 2300 CA ASN B 90 -9.289 -24.034 6.516 1.00 0.00 C ATOM 2301 C ASN B 90 -8.273 -24.923 5.859 1.00 0.00 C ATOM 2302 O ASN B 90 -8.288 -26.132 6.030 1.00 0.00 O ATOM 2303 CB ASN B 90 -10.306 -23.546 5.482 1.00 0.00 C ATOM 2304 CG ASN B 90 -11.460 -22.770 6.101 1.00 0.00 C ATOM 2305 OD1 ASN B 90 -11.843 -23.007 7.257 1.00 0.00 O ATOM 2306 ND2 ASN B 90 -12.040 -21.868 5.345 1.00 0.00 N ATOM 0 H ASN B 90 -8.894 -22.004 6.818 1.00 0.00 H new ATOM 0 HA ASN B 90 -9.824 -24.607 7.274 1.00 0.00 H new ATOM 0 HB2 ASN B 90 -9.799 -22.913 4.753 1.00 0.00 H new ATOM 0 HB3 ASN B 90 -10.703 -24.403 4.938 1.00 0.00 H new ATOM 0 HD21 ASN B 90 -12.833 -21.335 5.703 1.00 0.00 H new ATOM 0 HD22 ASN B 90 -11.698 -21.699 4.399 1.00 0.00 H new ATOM 2313 N LEU B 91 -7.368 -24.325 5.145 1.00 0.00 N ATOM 2314 CA LEU B 91 -6.313 -25.067 4.517 1.00 0.00 C ATOM 2315 C LEU B 91 -5.420 -25.705 5.567 1.00 0.00 C ATOM 2316 O LEU B 91 -5.120 -26.871 5.482 1.00 0.00 O ATOM 2317 CB LEU B 91 -5.512 -24.175 3.597 1.00 0.00 C ATOM 2318 CG LEU B 91 -6.246 -23.645 2.368 1.00 0.00 C ATOM 2319 CD1 LEU B 91 -5.408 -22.603 1.672 1.00 0.00 C ATOM 2320 CD2 LEU B 91 -6.564 -24.780 1.407 1.00 0.00 C ATOM 0 H LEU B 91 -7.338 -23.319 4.981 1.00 0.00 H new ATOM 0 HA LEU B 91 -6.755 -25.861 3.916 1.00 0.00 H new ATOM 0 HB2 LEU B 91 -5.150 -23.324 4.174 1.00 0.00 H new ATOM 0 HB3 LEU B 91 -4.635 -24.728 3.261 1.00 0.00 H new ATOM 0 HG LEU B 91 -7.181 -23.190 2.694 1.00 0.00 H new ATOM 0 HD11 LEU B 91 -5.942 -22.232 0.797 1.00 0.00 H new ATOM 0 HD12 LEU B 91 -5.213 -21.777 2.356 1.00 0.00 H new ATOM 0 HD13 LEU B 91 -4.462 -23.046 1.360 1.00 0.00 H new ATOM 0 HD21 LEU B 91 -7.087 -24.384 0.537 1.00 0.00 H new ATOM 0 HD22 LEU B 91 -5.637 -25.257 1.087 1.00 0.00 H new ATOM 0 HD23 LEU B 91 -7.196 -25.514 1.907 1.00 0.00 H new ATOM 2332 N GLN B 92 -5.111 -24.958 6.613 1.00 0.00 N ATOM 2333 CA GLN B 92 -4.208 -25.400 7.696 1.00 0.00 C ATOM 2334 C GLN B 92 -4.771 -26.540 8.542 1.00 0.00 C ATOM 2335 O GLN B 92 -4.060 -27.131 9.349 1.00 0.00 O ATOM 2336 CB GLN B 92 -3.761 -24.220 8.568 1.00 0.00 C ATOM 2337 CG GLN B 92 -2.670 -23.366 7.940 1.00 0.00 C ATOM 2338 CD GLN B 92 -1.313 -24.025 7.949 1.00 0.00 C ATOM 2339 OE1 GLN B 92 -1.182 -25.253 7.933 1.00 0.00 O ATOM 2340 NE2 GLN B 92 -0.299 -23.233 7.953 1.00 0.00 N ATOM 0 H GLN B 92 -5.477 -24.015 6.749 1.00 0.00 H new ATOM 0 HA GLN B 92 -3.329 -25.811 7.199 1.00 0.00 H new ATOM 0 HB2 GLN B 92 -4.625 -23.590 8.780 1.00 0.00 H new ATOM 0 HB3 GLN B 92 -3.404 -24.603 9.524 1.00 0.00 H new ATOM 0 HG2 GLN B 92 -2.947 -23.135 6.911 1.00 0.00 H new ATOM 0 HG3 GLN B 92 -2.609 -22.418 8.474 1.00 0.00 H new ATOM 0 HE21 GLN B 92 -0.441 -22.223 7.966 1.00 0.00 H new ATOM 0 HE22 GLN B 92 0.647 -23.615 7.943 1.00 0.00 H new ATOM 2349 N ARG B 93 -6.037 -26.830 8.392 1.00 0.00 N ATOM 2350 CA ARG B 93 -6.609 -27.988 9.076 1.00 0.00 C ATOM 2351 C ARG B 93 -6.829 -29.151 8.121 1.00 0.00 C ATOM 2352 O ARG B 93 -7.121 -30.268 8.526 1.00 0.00 O ATOM 2353 CB ARG B 93 -7.871 -27.631 9.898 1.00 0.00 C ATOM 2354 CG ARG B 93 -8.992 -26.904 9.153 1.00 0.00 C ATOM 2355 CD ARG B 93 -9.700 -27.758 8.104 1.00 0.00 C ATOM 2356 NE ARG B 93 -10.096 -29.084 8.586 1.00 0.00 N ATOM 2357 CZ ARG B 93 -10.411 -30.107 7.775 1.00 0.00 C ATOM 2358 NH1 ARG B 93 -10.696 -29.880 6.496 1.00 0.00 N ATOM 2359 NH2 ARG B 93 -10.497 -31.336 8.262 1.00 0.00 N ATOM 0 H ARG B 93 -6.691 -26.299 7.816 1.00 0.00 H new ATOM 0 HA ARG B 93 -5.873 -28.322 9.807 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -8.279 -28.553 10.312 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -7.564 -27.011 10.741 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -9.727 -26.554 9.877 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -8.577 -26.021 8.667 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -10.587 -27.228 7.757 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -9.043 -27.877 7.243 1.00 0.00 H new ATOM 0 HE ARG B 93 -10.135 -29.239 9.593 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -10.675 -28.928 6.130 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -10.935 -30.658 5.881 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -10.324 -31.505 9.253 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -10.736 -32.113 7.646 1.00 0.00 H new ATOM 2373 N ALA B 94 -6.638 -28.881 6.853 1.00 0.00 N ATOM 2374 CA ALA B 94 -6.830 -29.851 5.785 1.00 0.00 C ATOM 2375 C ALA B 94 -5.505 -30.536 5.484 1.00 0.00 C ATOM 2376 O ALA B 94 -5.187 -30.862 4.327 1.00 0.00 O ATOM 2377 CB ALA B 94 -7.315 -29.115 4.566 1.00 0.00 C ATOM 0 H ALA B 94 -6.339 -27.964 6.520 1.00 0.00 H new ATOM 0 HA ALA B 94 -7.559 -30.607 6.079 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -7.466 -29.822 3.750 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -8.257 -28.616 4.793 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -6.573 -28.373 4.270 1.00 0.00 H new ATOM 2383 N GLN B 95 -4.760 -30.765 6.525 1.00 0.00 N ATOM 2384 CA GLN B 95 -3.465 -31.365 6.438 1.00 0.00 C ATOM 2385 C GLN B 95 -3.622 -32.861 6.671 1.00 0.00 C ATOM 2386 O GLN B 95 -3.562 -33.299 7.840 1.00 0.00 O ATOM 2387 CB GLN B 95 -2.550 -30.776 7.511 1.00 0.00 C ATOM 2388 CG GLN B 95 -2.464 -29.246 7.559 1.00 0.00 C ATOM 2389 CD GLN B 95 -1.929 -28.605 6.299 1.00 0.00 C ATOM 2390 OE1 GLN B 95 -0.721 -28.489 6.109 1.00 0.00 O ATOM 2391 NE2 GLN B 95 -2.799 -28.061 5.512 1.00 0.00 N ATOM 0 H GLN B 95 -5.043 -30.534 7.477 1.00 0.00 H new ATOM 0 HA GLN B 95 -3.026 -31.175 5.458 1.00 0.00 H new ATOM 0 HB2 GLN B 95 -2.890 -31.131 8.484 1.00 0.00 H new ATOM 0 HB3 GLN B 95 -1.546 -31.171 7.360 1.00 0.00 H new ATOM 0 HG2 GLN B 95 -3.458 -28.846 7.761 1.00 0.00 H new ATOM 0 HG3 GLN B 95 -1.828 -28.957 8.396 1.00 0.00 H new ATOM 0 HE21 GLN B 95 -3.796 -28.176 5.697 1.00 0.00 H new ATOM 0 HE22 GLN B 95 -2.489 -27.517 4.707 1.00 0.00 H new