USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 53 LYS NZ :NH3+ -164:sc= 0.372 (180deg=0) USER MOD Set 1.2: A 74 SER OG : rot -120:sc= 0.338 USER MOD Single : A 23 THR OG1 : rot -50:sc= 1.14 USER MOD Single : A 24 MET CE :methyl 165:sc= -0.312 (180deg=-0.834) USER MOD Single : A 27 GLN : amide:sc= -0.472 X(o=-0.47,f=0) USER MOD Single : A 28 CYS SG : rot 88:sc= -1.08 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 140:sc= -6.65! (180deg=-7.73!) USER MOD Single : A 34 ASN : amide:sc= -0.236 K(o=-0.24,f=-1.2) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0554 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= 0.695 (180deg=0.56) USER MOD Single : A 45 GLN : amide:sc= 0.949 K(o=0.95,f=-6!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -145:sc= 0 (180deg=-1.13) USER MOD Single : A 57 MET CE :methyl 157:sc= -0.341 (180deg=-0.656) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.09) USER MOD Single : A 67 CYS SG : rot 15:sc= -5.09! USER MOD Single : A 72 THR OG1 : rot 152:sc= 0.678 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0491 USER MOD Single : A 79 GLN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0374 X(o=-0.037,f=-0.2) USER MOD Single : A 85 SER OG : rot -171:sc= 1.07 USER MOD Single : A 89 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.069) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0937 USER MOD ----------------------------------------------------------------- ATOM 270 N GLY A 20 14.683 8.123 1.829 1.00 0.00 N ATOM 271 CA GLY A 20 14.612 8.065 0.386 1.00 0.00 C ATOM 272 C GLY A 20 14.185 6.670 -0.030 1.00 0.00 C ATOM 273 O GLY A 20 12.982 6.378 -0.073 1.00 0.00 O ATOM 0 HA2 GLY A 20 13.902 8.803 0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.581 8.308 -0.049 1.00 0.00 H new ATOM 277 N PHE A 21 15.168 5.811 -0.290 1.00 0.00 N ATOM 278 CA PHE A 21 15.022 4.398 -0.613 1.00 0.00 C ATOM 279 C PHE A 21 15.997 3.609 0.261 1.00 0.00 C ATOM 280 O PHE A 21 16.972 4.167 0.777 1.00 0.00 O ATOM 281 CB PHE A 21 15.282 4.180 -2.118 1.00 0.00 C ATOM 282 CG PHE A 21 14.039 4.202 -2.994 1.00 0.00 C ATOM 283 CD1 PHE A 21 13.247 5.365 -3.073 1.00 0.00 C ATOM 284 CD2 PHE A 21 13.657 3.052 -3.714 1.00 0.00 C ATOM 285 CE1 PHE A 21 12.038 5.344 -3.784 1.00 0.00 C ATOM 286 CE2 PHE A 21 12.452 3.031 -4.438 1.00 0.00 C ATOM 287 CZ PHE A 21 11.628 4.171 -4.441 1.00 0.00 C ATOM 0 H PHE A 21 16.145 6.103 -0.280 1.00 0.00 H new ATOM 0 HA PHE A 21 14.010 4.049 -0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.969 4.951 -2.468 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.784 3.222 -2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.571 6.273 -2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.295 2.180 -3.709 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.422 6.230 -3.827 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.162 2.147 -4.987 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.676 4.145 -4.950 1.00 0.00 H new ATOM 297 N VAL A 22 15.716 2.320 0.439 1.00 0.00 N ATOM 298 CA VAL A 22 16.568 1.368 1.138 1.00 0.00 C ATOM 299 C VAL A 22 16.428 0.040 0.390 1.00 0.00 C ATOM 300 O VAL A 22 15.378 -0.250 -0.199 1.00 0.00 O ATOM 301 CB VAL A 22 16.146 1.218 2.621 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.193 0.479 3.470 1.00 0.00 C ATOM 303 CG2 VAL A 22 15.850 2.536 3.350 1.00 0.00 C ATOM 0 H VAL A 22 14.857 1.897 0.087 1.00 0.00 H new ATOM 0 HA VAL A 22 17.604 1.707 1.150 1.00 0.00 H new ATOM 0 HB VAL A 22 15.224 0.643 2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.841 0.405 4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 22 17.348 -0.522 3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.134 1.029 3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.564 2.325 4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.741 3.164 3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.035 3.056 2.846 1.00 0.00 H new ATOM 313 N THR A 23 17.468 -0.781 0.436 1.00 0.00 N ATOM 314 CA THR A 23 17.434 -2.138 -0.074 1.00 0.00 C ATOM 315 C THR A 23 16.955 -3.060 1.056 1.00 0.00 C ATOM 316 O THR A 23 17.373 -2.900 2.205 1.00 0.00 O ATOM 317 CB THR A 23 18.840 -2.488 -0.583 1.00 0.00 C ATOM 318 OG1 THR A 23 19.337 -1.455 -1.428 1.00 0.00 O ATOM 319 CG2 THR A 23 18.874 -3.801 -1.359 1.00 0.00 C ATOM 0 H THR A 23 18.369 -0.517 0.834 1.00 0.00 H new ATOM 0 HA THR A 23 16.743 -2.256 -0.908 1.00 0.00 H new ATOM 0 HB THR A 23 19.466 -2.594 0.303 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.666 -1.238 -2.109 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.892 -3.999 -1.695 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.540 -4.614 -0.714 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.214 -3.730 -2.224 1.00 0.00 H new ATOM 327 N MET A 24 16.101 -4.042 0.754 1.00 0.00 N ATOM 328 CA MET A 24 15.845 -5.166 1.634 1.00 0.00 C ATOM 329 C MET A 24 16.428 -6.420 1.017 1.00 0.00 C ATOM 330 O MET A 24 16.704 -6.494 -0.187 1.00 0.00 O ATOM 331 CB MET A 24 14.362 -5.381 1.940 1.00 0.00 C ATOM 332 CG MET A 24 13.636 -4.088 2.294 1.00 0.00 C ATOM 333 SD MET A 24 11.909 -4.267 2.827 1.00 0.00 S ATOM 334 CE MET A 24 12.051 -5.580 4.070 1.00 0.00 C ATOM 0 H MET A 24 15.569 -4.072 -0.116 1.00 0.00 H new ATOM 0 HA MET A 24 16.323 -4.939 2.587 1.00 0.00 H new ATOM 0 HB2 MET A 24 13.880 -5.837 1.075 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.265 -6.084 2.767 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.191 -3.588 3.088 1.00 0.00 H new ATOM 0 HG3 MET A 24 13.661 -3.430 1.425 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.140 -5.615 4.668 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.195 -6.539 3.572 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.903 -5.377 4.718 1.00 0.00 H new ATOM 344 N ILE A 25 16.581 -7.410 1.878 1.00 0.00 N ATOM 345 CA ILE A 25 17.382 -8.596 1.639 1.00 0.00 C ATOM 346 C ILE A 25 16.468 -9.790 1.880 1.00 0.00 C ATOM 347 O ILE A 25 15.667 -9.773 2.820 1.00 0.00 O ATOM 348 CB ILE A 25 18.604 -8.620 2.595 1.00 0.00 C ATOM 349 CG1 ILE A 25 19.351 -7.276 2.775 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.584 -9.778 2.308 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.012 -6.693 1.523 1.00 0.00 C ATOM 0 H ILE A 25 16.135 -7.410 2.795 1.00 0.00 H new ATOM 0 HA ILE A 25 17.777 -8.615 0.623 1.00 0.00 H new ATOM 0 HB ILE A 25 18.139 -8.808 3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 25 18.645 -6.542 3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.120 -7.411 3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.414 -9.735 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.064 -10.730 2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 25 19.966 -9.688 1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 25 20.503 -5.753 1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 25 20.751 -7.397 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.253 -6.514 0.761 1.00 0.00 H new ATOM 363 N LEU A 26 16.598 -10.818 1.043 1.00 0.00 N ATOM 364 CA LEU A 26 15.824 -12.041 1.117 1.00 0.00 C ATOM 365 C LEU A 26 16.779 -13.220 0.972 1.00 0.00 C ATOM 366 O LEU A 26 17.631 -13.241 0.076 1.00 0.00 O ATOM 367 CB LEU A 26 14.765 -12.059 -0.007 1.00 0.00 C ATOM 368 CG LEU A 26 13.303 -12.086 0.461 1.00 0.00 C ATOM 369 CD1 LEU A 26 13.039 -13.272 1.371 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.870 -10.734 1.054 1.00 0.00 C ATOM 0 H LEU A 26 17.267 -10.816 0.273 1.00 0.00 H new ATOM 0 HA LEU A 26 15.304 -12.105 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.911 -11.179 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.943 -12.931 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 26 12.666 -12.234 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.996 -13.264 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.249 -14.197 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.683 -13.208 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.830 -10.793 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.500 -10.494 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.974 -9.955 0.298 1.00 0.00 H new ATOM 382 N GLN A 27 16.599 -14.232 1.812 1.00 0.00 N ATOM 383 CA GLN A 27 17.303 -15.502 1.741 1.00 0.00 C ATOM 384 C GLN A 27 16.254 -16.604 1.646 1.00 0.00 C ATOM 385 O GLN A 27 15.099 -16.416 2.040 1.00 0.00 O ATOM 386 CB GLN A 27 18.189 -15.680 2.988 1.00 0.00 C ATOM 387 CG GLN A 27 19.387 -14.721 3.063 1.00 0.00 C ATOM 388 CD GLN A 27 20.693 -15.296 2.509 1.00 0.00 C ATOM 389 OE1 GLN A 27 21.741 -15.180 3.140 1.00 0.00 O ATOM 390 NE2 GLN A 27 20.692 -15.895 1.328 1.00 0.00 N ATOM 0 H GLN A 27 15.936 -14.187 2.586 1.00 0.00 H new ATOM 0 HA GLN A 27 17.957 -15.540 0.869 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.574 -15.542 3.877 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.559 -16.705 3.012 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.143 -13.811 2.515 1.00 0.00 H new ATOM 0 HG3 GLN A 27 19.543 -14.434 4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 27 19.821 -15.991 0.805 1.00 0.00 H new ATOM 0 HE22 GLN A 27 21.562 -16.261 0.941 1.00 0.00 H new ATOM 399 N CYS A 28 16.646 -17.755 1.107 1.00 0.00 N ATOM 400 CA CYS A 28 15.825 -18.964 1.108 1.00 0.00 C ATOM 401 C CYS A 28 16.704 -20.191 1.344 1.00 0.00 C ATOM 402 O CYS A 28 17.931 -20.105 1.269 1.00 0.00 O ATOM 403 CB CYS A 28 15.024 -19.073 -0.198 1.00 0.00 C ATOM 404 SG CYS A 28 16.106 -18.820 -1.625 1.00 0.00 S ATOM 0 H CYS A 28 17.551 -17.877 0.653 1.00 0.00 H new ATOM 0 HA CYS A 28 15.104 -18.909 1.924 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.551 -20.053 -0.261 1.00 0.00 H new ATOM 0 HB3 CYS A 28 14.224 -18.332 -0.204 1.00 0.00 H new ATOM 0 HG CYS A 28 16.629 -19.956 -1.980 1.00 0.00 H new ATOM 410 N SER A 29 16.087 -21.338 1.640 1.00 0.00 N ATOM 411 CA SER A 29 16.782 -22.585 1.957 1.00 0.00 C ATOM 412 C SER A 29 16.792 -23.540 0.748 1.00 0.00 C ATOM 413 O SER A 29 16.874 -24.760 0.923 1.00 0.00 O ATOM 414 CB SER A 29 16.140 -23.200 3.209 1.00 0.00 C ATOM 415 OG SER A 29 17.099 -23.848 4.024 1.00 0.00 O ATOM 0 H SER A 29 15.071 -21.426 1.666 1.00 0.00 H new ATOM 0 HA SER A 29 17.831 -22.387 2.177 1.00 0.00 H new ATOM 0 HB2 SER A 29 15.642 -22.419 3.784 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.373 -23.915 2.911 1.00 0.00 H new ATOM 0 HG SER A 29 16.656 -24.226 4.812 1.00 0.00 H new ATOM 421 N ILE A 30 16.642 -23.002 -0.464 1.00 0.00 N ATOM 422 CA ILE A 30 16.531 -23.720 -1.728 1.00 0.00 C ATOM 423 C ILE A 30 17.256 -22.907 -2.802 1.00 0.00 C ATOM 424 O ILE A 30 17.555 -21.731 -2.589 1.00 0.00 O ATOM 425 CB ILE A 30 15.038 -23.982 -2.087 1.00 0.00 C ATOM 426 CG1 ILE A 30 14.053 -22.803 -1.889 1.00 0.00 C ATOM 427 CG2 ILE A 30 14.518 -25.173 -1.262 1.00 0.00 C ATOM 428 CD1 ILE A 30 14.111 -21.692 -2.941 1.00 0.00 C ATOM 0 H ILE A 30 16.592 -21.991 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 30 16.999 -24.701 -1.653 1.00 0.00 H new ATOM 0 HB ILE A 30 15.056 -24.169 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 30 13.039 -23.203 -1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.241 -22.360 -0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.473 -25.359 -1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.109 -26.060 -1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.603 -24.944 -0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 30 13.378 -20.923 -2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 30 15.108 -21.253 -2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 30 13.888 -22.109 -3.923 1.00 0.00 H new ATOM 440 N GLU A 31 17.521 -23.511 -3.959 1.00 0.00 N ATOM 441 CA GLU A 31 17.821 -22.775 -5.179 1.00 0.00 C ATOM 442 C GLU A 31 16.532 -22.112 -5.640 1.00 0.00 C ATOM 443 O GLU A 31 15.487 -22.765 -5.711 1.00 0.00 O ATOM 444 CB GLU A 31 18.311 -23.738 -6.270 1.00 0.00 C ATOM 445 CG GLU A 31 18.737 -23.049 -7.580 1.00 0.00 C ATOM 446 CD GLU A 31 18.697 -23.957 -8.815 1.00 0.00 C ATOM 447 OE1 GLU A 31 17.825 -24.850 -8.899 1.00 0.00 O ATOM 448 OE2 GLU A 31 19.479 -23.715 -9.763 1.00 0.00 O ATOM 0 H GLU A 31 17.533 -24.524 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 31 18.600 -22.036 -4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 31 19.155 -24.308 -5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.518 -24.452 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.087 -22.191 -7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.749 -22.663 -7.461 1.00 0.00 H new ATOM 455 N MET A 32 16.624 -20.846 -6.025 1.00 0.00 N ATOM 456 CA MET A 32 15.605 -20.145 -6.782 1.00 0.00 C ATOM 457 C MET A 32 15.908 -20.232 -8.286 1.00 0.00 C ATOM 458 O MET A 32 16.588 -19.353 -8.810 1.00 0.00 O ATOM 459 CB MET A 32 15.439 -18.693 -6.311 1.00 0.00 C ATOM 460 CG MET A 32 14.873 -18.610 -4.896 1.00 0.00 C ATOM 461 SD MET A 32 14.132 -17.008 -4.464 1.00 0.00 S ATOM 462 CE MET A 32 15.545 -15.891 -4.607 1.00 0.00 C ATOM 0 H MET A 32 17.435 -20.265 -5.811 1.00 0.00 H new ATOM 0 HA MET A 32 14.648 -20.635 -6.601 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.405 -18.189 -6.345 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.778 -18.163 -6.997 1.00 0.00 H new ATOM 0 HG2 MET A 32 14.119 -19.388 -4.775 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.672 -18.828 -4.187 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.225 -14.956 -5.067 1.00 0.00 H new ATOM 0 HE2 MET A 32 15.950 -15.688 -3.616 1.00 0.00 H new ATOM 0 HE3 MET A 32 16.314 -16.354 -5.225 1.00 0.00 H new ATOM 472 N PRO A 33 15.483 -21.278 -9.024 1.00 0.00 N ATOM 473 CA PRO A 33 15.622 -21.308 -10.481 1.00 0.00 C ATOM 474 C PRO A 33 14.864 -20.160 -11.161 1.00 0.00 C ATOM 475 O PRO A 33 15.195 -19.786 -12.287 1.00 0.00 O ATOM 476 CB PRO A 33 15.083 -22.669 -10.926 1.00 0.00 C ATOM 477 CG PRO A 33 14.090 -23.024 -9.827 1.00 0.00 C ATOM 478 CD PRO A 33 14.752 -22.446 -8.577 1.00 0.00 C ATOM 0 HA PRO A 33 16.664 -21.174 -10.770 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.601 -22.612 -11.902 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.878 -23.411 -11.006 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.110 -22.581 -10.008 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.943 -24.101 -9.746 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.007 -22.178 -7.828 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.420 -23.173 -8.116 1.00 0.00 H new ATOM 486 N ASN A 34 13.870 -19.572 -10.492 1.00 0.00 N ATOM 487 CA ASN A 34 13.154 -18.384 -10.927 1.00 0.00 C ATOM 488 C ASN A 34 12.957 -17.459 -9.744 1.00 0.00 C ATOM 489 O ASN A 34 12.784 -17.899 -8.611 1.00 0.00 O ATOM 490 CB ASN A 34 11.795 -18.712 -11.559 1.00 0.00 C ATOM 491 CG ASN A 34 10.952 -19.640 -10.695 1.00 0.00 C ATOM 492 OD1 ASN A 34 10.322 -19.243 -9.723 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.959 -20.912 -11.035 1.00 0.00 N ATOM 0 H ASN A 34 13.533 -19.929 -9.598 1.00 0.00 H new ATOM 0 HA ASN A 34 13.756 -17.900 -11.696 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.247 -17.786 -11.732 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.954 -19.175 -12.533 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.432 -21.590 -10.484 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.491 -21.219 -11.849 1.00 0.00 H new ATOM 500 N ILE A 35 12.937 -16.171 -10.057 1.00 0.00 N ATOM 501 CA ILE A 35 12.671 -15.056 -9.164 1.00 0.00 C ATOM 502 C ILE A 35 11.258 -15.140 -8.551 1.00 0.00 C ATOM 503 O ILE A 35 11.028 -14.632 -7.453 1.00 0.00 O ATOM 504 CB ILE A 35 12.951 -13.769 -9.981 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.782 -12.502 -9.133 1.00 0.00 C ATOM 506 CG2 ILE A 35 12.132 -13.707 -11.286 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.598 -11.317 -9.672 1.00 0.00 C ATOM 0 H ILE A 35 13.120 -15.857 -11.010 1.00 0.00 H new ATOM 0 HA ILE A 35 13.321 -15.066 -8.289 1.00 0.00 H new ATOM 0 HB ILE A 35 13.999 -13.815 -10.279 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.727 -12.228 -9.102 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.087 -12.712 -8.108 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.366 -12.786 -11.819 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.382 -14.563 -11.913 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.068 -13.729 -11.049 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.441 -10.447 -9.034 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.657 -11.577 -9.678 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.276 -11.085 -10.687 1.00 0.00 H new ATOM 519 N SER A 36 10.322 -15.832 -9.214 1.00 0.00 N ATOM 520 CA SER A 36 8.943 -16.016 -8.774 1.00 0.00 C ATOM 521 C SER A 36 8.851 -16.665 -7.386 1.00 0.00 C ATOM 522 O SER A 36 7.878 -16.432 -6.680 1.00 0.00 O ATOM 523 CB SER A 36 8.175 -16.854 -9.809 1.00 0.00 C ATOM 524 OG SER A 36 8.599 -16.578 -11.139 1.00 0.00 O ATOM 0 H SER A 36 10.517 -16.293 -10.103 1.00 0.00 H new ATOM 0 HA SER A 36 8.490 -15.028 -8.691 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.318 -17.913 -9.596 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.108 -16.652 -9.719 1.00 0.00 H new ATOM 0 HG SER A 36 8.089 -17.131 -11.767 1.00 0.00 H new ATOM 530 N TYR A 37 9.861 -17.444 -6.969 1.00 0.00 N ATOM 531 CA TYR A 37 9.945 -18.023 -5.630 1.00 0.00 C ATOM 532 C TYR A 37 9.775 -16.945 -4.553 1.00 0.00 C ATOM 533 O TYR A 37 8.910 -17.073 -3.691 1.00 0.00 O ATOM 534 CB TYR A 37 11.282 -18.769 -5.465 1.00 0.00 C ATOM 535 CG TYR A 37 11.228 -20.256 -5.752 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.946 -21.159 -4.708 1.00 0.00 C ATOM 537 CD2 TYR A 37 11.490 -20.743 -7.046 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.926 -22.544 -4.949 1.00 0.00 C ATOM 539 CE2 TYR A 37 11.443 -22.123 -7.298 1.00 0.00 C ATOM 540 CZ TYR A 37 11.169 -23.029 -6.253 1.00 0.00 C ATOM 541 OH TYR A 37 11.145 -24.367 -6.500 1.00 0.00 O ATOM 0 H TYR A 37 10.651 -17.690 -7.565 1.00 0.00 H new ATOM 0 HA TYR A 37 9.131 -18.738 -5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.019 -18.313 -6.127 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.638 -18.624 -4.445 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.744 -20.785 -3.715 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.727 -20.056 -7.845 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.726 -23.233 -4.142 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.618 -22.493 -8.298 1.00 0.00 H new ATOM 0 HH TYR A 37 11.331 -24.528 -7.449 1.00 0.00 H new ATOM 551 N ALA A 38 10.584 -15.883 -4.606 1.00 0.00 N ATOM 552 CA ALA A 38 10.552 -14.825 -3.600 1.00 0.00 C ATOM 553 C ALA A 38 9.270 -14.021 -3.712 1.00 0.00 C ATOM 554 O ALA A 38 8.639 -13.756 -2.693 1.00 0.00 O ATOM 555 CB ALA A 38 11.770 -13.929 -3.763 1.00 0.00 C ATOM 0 H ALA A 38 11.274 -15.736 -5.343 1.00 0.00 H new ATOM 0 HA ALA A 38 10.577 -15.275 -2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.744 -13.140 -3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.677 -14.521 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.763 -13.483 -4.758 1.00 0.00 H new ATOM 561 N TRP A 39 8.877 -13.662 -4.938 1.00 0.00 N ATOM 562 CA TRP A 39 7.639 -12.937 -5.174 1.00 0.00 C ATOM 563 C TRP A 39 6.465 -13.631 -4.498 1.00 0.00 C ATOM 564 O TRP A 39 5.699 -12.951 -3.823 1.00 0.00 O ATOM 565 CB TRP A 39 7.384 -12.783 -6.673 1.00 0.00 C ATOM 566 CG TRP A 39 8.122 -11.664 -7.327 1.00 0.00 C ATOM 567 CD1 TRP A 39 9.039 -11.775 -8.313 1.00 0.00 C ATOM 568 CD2 TRP A 39 7.930 -10.236 -7.112 1.00 0.00 C ATOM 569 NE1 TRP A 39 9.427 -10.513 -8.720 1.00 0.00 N ATOM 570 CE2 TRP A 39 8.755 -9.528 -8.031 1.00 0.00 C ATOM 571 CE3 TRP A 39 7.119 -9.472 -6.244 1.00 0.00 C ATOM 572 CZ2 TRP A 39 8.757 -8.130 -8.111 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.077 -8.069 -6.350 1.00 0.00 C ATOM 574 CH2 TRP A 39 7.879 -7.402 -7.294 1.00 0.00 C ATOM 0 H TRP A 39 9.408 -13.867 -5.784 1.00 0.00 H new ATOM 0 HA TRP A 39 7.740 -11.943 -4.738 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.654 -13.715 -7.170 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.316 -12.635 -6.831 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.410 -12.704 -8.719 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.125 -10.333 -9.442 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.525 -9.969 -5.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.424 -7.620 -8.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.425 -7.501 -5.703 1.00 0.00 H new ATOM 0 HH2 TRP A 39 7.819 -6.328 -7.390 1.00 0.00 H new ATOM 585 N LYS A 40 6.336 -14.952 -4.648 1.00 0.00 N ATOM 586 CA LYS A 40 5.252 -15.710 -4.041 1.00 0.00 C ATOM 587 C LYS A 40 5.224 -15.523 -2.536 1.00 0.00 C ATOM 588 O LYS A 40 4.154 -15.229 -2.018 1.00 0.00 O ATOM 589 CB LYS A 40 5.347 -17.187 -4.409 1.00 0.00 C ATOM 590 CG LYS A 40 4.862 -17.385 -5.846 1.00 0.00 C ATOM 591 CD LYS A 40 5.288 -18.761 -6.333 1.00 0.00 C ATOM 592 CE LYS A 40 4.883 -18.897 -7.797 1.00 0.00 C ATOM 593 NZ LYS A 40 5.446 -20.115 -8.405 1.00 0.00 N ATOM 0 H LYS A 40 6.983 -15.521 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 40 4.313 -15.324 -4.438 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.376 -17.532 -4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.744 -17.783 -3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.777 -17.289 -5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.278 -16.612 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.365 -18.886 -6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.815 -19.539 -5.734 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.796 -18.921 -7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.223 -18.022 -8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.150 -20.175 -9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.484 -20.081 -8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.102 -20.951 -7.891 1.00 0.00 H new ATOM 607 N GLU A 41 6.354 -15.679 -1.841 1.00 0.00 N ATOM 608 CA GLU A 41 6.386 -15.578 -0.384 1.00 0.00 C ATOM 609 C GLU A 41 6.042 -14.159 0.060 1.00 0.00 C ATOM 610 O GLU A 41 5.197 -13.972 0.936 1.00 0.00 O ATOM 611 CB GLU A 41 7.773 -15.957 0.155 1.00 0.00 C ATOM 612 CG GLU A 41 7.680 -16.544 1.574 1.00 0.00 C ATOM 613 CD GLU A 41 7.088 -17.958 1.661 1.00 0.00 C ATOM 614 OE1 GLU A 41 6.796 -18.587 0.618 1.00 0.00 O ATOM 615 OE2 GLU A 41 6.848 -18.449 2.794 1.00 0.00 O ATOM 0 H GLU A 41 7.259 -15.876 -2.267 1.00 0.00 H new ATOM 0 HA GLU A 41 5.646 -16.271 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.239 -16.683 -0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.415 -15.076 0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.679 -16.559 2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.075 -15.876 2.187 1.00 0.00 H new ATOM 622 N LEU A 42 6.675 -13.146 -0.551 1.00 0.00 N ATOM 623 CA LEU A 42 6.349 -11.764 -0.233 1.00 0.00 C ATOM 624 C LEU A 42 4.852 -11.512 -0.436 1.00 0.00 C ATOM 625 O LEU A 42 4.234 -10.849 0.387 1.00 0.00 O ATOM 626 CB LEU A 42 7.141 -10.738 -1.073 1.00 0.00 C ATOM 627 CG LEU A 42 8.550 -10.342 -0.589 1.00 0.00 C ATOM 628 CD1 LEU A 42 8.664 -10.123 0.923 1.00 0.00 C ATOM 629 CD2 LEU A 42 9.605 -11.344 -1.034 1.00 0.00 C ATOM 0 H LEU A 42 7.403 -13.263 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 42 6.630 -11.623 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.234 -11.135 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.543 -9.829 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 42 8.732 -9.378 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.688 -9.848 1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.988 -9.323 1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.397 -11.042 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.583 -11.027 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.368 -12.327 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.621 -11.397 -2.123 1.00 0.00 H new ATOM 641 N LYS A 43 4.269 -12.011 -1.529 1.00 0.00 N ATOM 642 CA LYS A 43 2.863 -11.815 -1.868 1.00 0.00 C ATOM 643 C LYS A 43 1.937 -12.613 -0.934 1.00 0.00 C ATOM 644 O LYS A 43 0.838 -12.148 -0.609 1.00 0.00 O ATOM 645 CB LYS A 43 2.668 -12.160 -3.356 1.00 0.00 C ATOM 646 CG LYS A 43 3.206 -11.039 -4.279 1.00 0.00 C ATOM 647 CD LYS A 43 3.285 -11.433 -5.762 1.00 0.00 C ATOM 648 CE LYS A 43 3.472 -10.166 -6.613 1.00 0.00 C ATOM 649 NZ LYS A 43 3.523 -10.430 -8.064 1.00 0.00 N ATOM 0 H LYS A 43 4.774 -12.573 -2.214 1.00 0.00 H new ATOM 0 HA LYS A 43 2.584 -10.772 -1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.180 -13.095 -3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.609 -12.320 -3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.565 -10.163 -4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.199 -10.747 -3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.115 -12.120 -5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.376 -11.955 -6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.654 -9.476 -6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.393 -9.668 -6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.898 -9.594 -8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.141 -11.246 -8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.565 -10.636 -8.413 1.00 0.00 H new ATOM 663 N GLU A 44 2.367 -13.780 -0.460 1.00 0.00 N ATOM 664 CA GLU A 44 1.672 -14.601 0.518 1.00 0.00 C ATOM 665 C GLU A 44 1.552 -13.863 1.851 1.00 0.00 C ATOM 666 O GLU A 44 0.476 -13.881 2.451 1.00 0.00 O ATOM 667 CB GLU A 44 2.439 -15.923 0.696 1.00 0.00 C ATOM 668 CG GLU A 44 1.965 -17.046 -0.230 1.00 0.00 C ATOM 669 CD GLU A 44 0.549 -17.528 0.084 1.00 0.00 C ATOM 670 OE1 GLU A 44 0.366 -18.289 1.062 1.00 0.00 O ATOM 671 OE2 GLU A 44 -0.372 -17.219 -0.704 1.00 0.00 O ATOM 0 H GLU A 44 3.249 -14.194 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 44 0.663 -14.813 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.499 -15.743 0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.340 -16.252 1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.003 -16.697 -1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.654 -17.887 -0.152 1.00 0.00 H new ATOM 678 N GLN A 45 2.622 -13.208 2.310 1.00 0.00 N ATOM 679 CA GLN A 45 2.621 -12.451 3.557 1.00 0.00 C ATOM 680 C GLN A 45 1.946 -11.084 3.388 1.00 0.00 C ATOM 681 O GLN A 45 1.048 -10.725 4.145 1.00 0.00 O ATOM 682 CB GLN A 45 4.070 -12.296 4.058 1.00 0.00 C ATOM 683 CG GLN A 45 4.567 -13.557 4.799 1.00 0.00 C ATOM 684 CD GLN A 45 4.820 -13.301 6.287 1.00 0.00 C ATOM 685 OE1 GLN A 45 5.897 -13.571 6.805 1.00 0.00 O ATOM 686 NE2 GLN A 45 3.867 -12.741 7.014 1.00 0.00 N ATOM 0 H GLN A 45 3.517 -13.190 1.821 1.00 0.00 H new ATOM 0 HA GLN A 45 2.040 -12.999 4.299 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.726 -12.091 3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.132 -11.436 4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.830 -14.352 4.691 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.487 -13.910 4.333 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.968 -12.514 6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.031 -12.536 8.000 1.00 0.00 H new ATOM 695 N LEU A 46 2.410 -10.283 2.432 1.00 0.00 N ATOM 696 CA LEU A 46 2.090 -8.860 2.361 1.00 0.00 C ATOM 697 C LEU A 46 0.803 -8.591 1.586 1.00 0.00 C ATOM 698 O LEU A 46 0.245 -7.503 1.705 1.00 0.00 O ATOM 699 CB LEU A 46 3.253 -8.098 1.704 1.00 0.00 C ATOM 700 CG LEU A 46 4.624 -8.246 2.403 1.00 0.00 C ATOM 701 CD1 LEU A 46 5.682 -7.609 1.512 1.00 0.00 C ATOM 702 CD2 LEU A 46 4.624 -7.652 3.807 1.00 0.00 C ATOM 0 H LEU A 46 3.021 -10.604 1.681 1.00 0.00 H new ATOM 0 HA LEU A 46 1.938 -8.511 3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.351 -8.439 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.996 -7.039 1.667 1.00 0.00 H new ATOM 0 HG LEU A 46 4.849 -9.304 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.660 -7.701 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.697 -8.115 0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.448 -6.555 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.609 -7.781 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.386 -6.590 3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.877 -8.160 4.417 1.00 0.00 H new ATOM 714 N GLY A 47 0.305 -9.532 0.791 1.00 0.00 N ATOM 715 CA GLY A 47 -0.747 -9.275 -0.187 1.00 0.00 C ATOM 716 C GLY A 47 -0.126 -9.314 -1.572 1.00 0.00 C ATOM 717 O GLY A 47 1.047 -8.967 -1.736 1.00 0.00 O ATOM 0 H GLY A 47 0.622 -10.501 0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.536 -10.023 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.207 -8.304 -0.004 1.00 0.00 H new ATOM 721 N GLU A 48 -0.895 -9.745 -2.572 1.00 0.00 N ATOM 722 CA GLU A 48 -0.361 -9.894 -3.916 1.00 0.00 C ATOM 723 C GLU A 48 0.038 -8.539 -4.505 1.00 0.00 C ATOM 724 O GLU A 48 1.032 -8.445 -5.227 1.00 0.00 O ATOM 725 CB GLU A 48 -1.320 -10.691 -4.816 1.00 0.00 C ATOM 726 CG GLU A 48 -0.676 -12.038 -5.182 1.00 0.00 C ATOM 727 CD GLU A 48 -1.517 -12.896 -6.120 1.00 0.00 C ATOM 728 OE1 GLU A 48 -2.711 -13.102 -5.812 1.00 0.00 O ATOM 729 OE2 GLU A 48 -0.986 -13.363 -7.152 1.00 0.00 O ATOM 0 H GLU A 48 -1.879 -9.994 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 48 0.555 -10.483 -3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.267 -10.856 -4.301 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.543 -10.124 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.292 -11.851 -5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.486 -12.598 -4.267 1.00 0.00 H new ATOM 736 N GLU A 49 -0.655 -7.465 -4.124 1.00 0.00 N ATOM 737 CA GLU A 49 -0.353 -6.121 -4.582 1.00 0.00 C ATOM 738 C GLU A 49 0.676 -5.458 -3.661 1.00 0.00 C ATOM 739 O GLU A 49 0.490 -4.333 -3.185 1.00 0.00 O ATOM 740 CB GLU A 49 -1.654 -5.309 -4.719 1.00 0.00 C ATOM 741 CG GLU A 49 -2.574 -5.820 -5.834 1.00 0.00 C ATOM 742 CD GLU A 49 -2.101 -5.385 -7.222 1.00 0.00 C ATOM 743 OE1 GLU A 49 -0.983 -5.751 -7.658 1.00 0.00 O ATOM 744 OE2 GLU A 49 -2.843 -4.628 -7.885 1.00 0.00 O ATOM 0 H GLU A 49 -1.447 -7.511 -3.483 1.00 0.00 H new ATOM 0 HA GLU A 49 0.103 -6.162 -5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.193 -5.337 -3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.404 -4.266 -4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.621 -6.908 -5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.586 -5.451 -5.665 1.00 0.00 H new ATOM 751 N ILE A 50 1.795 -6.145 -3.429 1.00 0.00 N ATOM 752 CA ILE A 50 3.055 -5.523 -3.024 1.00 0.00 C ATOM 753 C ILE A 50 3.830 -5.014 -4.251 1.00 0.00 C ATOM 754 O ILE A 50 4.748 -4.201 -4.141 1.00 0.00 O ATOM 755 CB ILE A 50 3.872 -6.531 -2.184 1.00 0.00 C ATOM 756 CG1 ILE A 50 5.102 -5.869 -1.540 1.00 0.00 C ATOM 757 CG2 ILE A 50 4.331 -7.775 -2.969 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.731 -4.743 -0.572 1.00 0.00 C ATOM 0 H ILE A 50 1.852 -7.159 -3.518 1.00 0.00 H new ATOM 0 HA ILE A 50 2.855 -4.650 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 50 3.179 -6.866 -1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.678 -6.625 -1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.747 -5.471 -2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.898 -8.433 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.459 -8.307 -3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.961 -7.467 -3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.639 -4.313 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.179 -3.970 -1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.110 -5.142 0.230 1.00 0.00 H new ATOM 770 N ASP A 51 3.487 -5.525 -5.434 1.00 0.00 N ATOM 771 CA ASP A 51 4.320 -5.437 -6.626 1.00 0.00 C ATOM 772 C ASP A 51 4.571 -3.988 -7.047 1.00 0.00 C ATOM 773 O ASP A 51 5.715 -3.608 -7.311 1.00 0.00 O ATOM 774 CB ASP A 51 3.666 -6.267 -7.731 1.00 0.00 C ATOM 775 CG ASP A 51 4.657 -6.699 -8.806 1.00 0.00 C ATOM 776 OD1 ASP A 51 5.440 -5.862 -9.302 1.00 0.00 O ATOM 777 OD2 ASP A 51 4.599 -7.894 -9.181 1.00 0.00 O ATOM 0 H ASP A 51 2.608 -6.019 -5.590 1.00 0.00 H new ATOM 0 HA ASP A 51 5.309 -5.844 -6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.205 -7.151 -7.291 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.867 -5.686 -8.191 1.00 0.00 H new ATOM 782 N SER A 52 3.538 -3.140 -7.013 1.00 0.00 N ATOM 783 CA SER A 52 3.595 -1.740 -7.357 1.00 0.00 C ATOM 784 C SER A 52 4.622 -0.956 -6.524 1.00 0.00 C ATOM 785 O SER A 52 5.149 0.046 -7.014 1.00 0.00 O ATOM 786 CB SER A 52 2.177 -1.197 -7.182 1.00 0.00 C ATOM 787 OG SER A 52 1.296 -1.803 -8.120 1.00 0.00 O ATOM 0 H SER A 52 2.604 -3.437 -6.731 1.00 0.00 H new ATOM 0 HA SER A 52 3.939 -1.619 -8.384 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.829 -1.392 -6.168 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.175 -0.115 -7.318 1.00 0.00 H new ATOM 0 HG SER A 52 0.391 -1.448 -7.996 1.00 0.00 H new ATOM 793 N LYS A 53 4.968 -1.395 -5.309 1.00 0.00 N ATOM 794 CA LYS A 53 5.961 -0.719 -4.470 1.00 0.00 C ATOM 795 C LYS A 53 7.396 -1.151 -4.744 1.00 0.00 C ATOM 796 O LYS A 53 8.301 -0.364 -4.463 1.00 0.00 O ATOM 797 CB LYS A 53 5.633 -0.965 -2.990 1.00 0.00 C ATOM 798 CG LYS A 53 4.388 -0.197 -2.527 1.00 0.00 C ATOM 799 CD LYS A 53 4.585 1.322 -2.604 1.00 0.00 C ATOM 800 CE LYS A 53 3.453 2.011 -1.848 1.00 0.00 C ATOM 801 NZ LYS A 53 3.960 3.021 -0.901 1.00 0.00 N ATOM 0 H LYS A 53 4.567 -2.229 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 53 5.902 0.341 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.479 -2.032 -2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.486 -0.670 -2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.536 -0.483 -3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.149 -0.480 -1.502 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.548 1.599 -2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.595 1.648 -3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.778 2.487 -2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.871 1.265 -1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.210 3.270 -0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.777 2.635 -0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.251 3.872 -1.424 1.00 0.00 H new ATOM 815 N VAL A 54 7.635 -2.364 -5.233 1.00 0.00 N ATOM 816 CA VAL A 54 8.988 -2.901 -5.337 1.00 0.00 C ATOM 817 C VAL A 54 9.613 -2.423 -6.654 1.00 0.00 C ATOM 818 O VAL A 54 8.922 -2.193 -7.645 1.00 0.00 O ATOM 819 CB VAL A 54 8.934 -4.435 -5.170 1.00 0.00 C ATOM 820 CG1 VAL A 54 10.329 -5.069 -5.249 1.00 0.00 C ATOM 821 CG2 VAL A 54 8.329 -4.839 -3.813 1.00 0.00 C ATOM 0 H VAL A 54 6.906 -2.996 -5.565 1.00 0.00 H new ATOM 0 HA VAL A 54 9.637 -2.534 -4.542 1.00 0.00 H new ATOM 0 HB VAL A 54 8.310 -4.795 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.245 -6.149 -5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.775 -4.847 -6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.959 -4.662 -4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.308 -5.926 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.936 -4.428 -3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.314 -4.450 -3.737 1.00 0.00 H new ATOM 831 N LYS A 55 10.939 -2.269 -6.694 1.00 0.00 N ATOM 832 CA LYS A 55 11.674 -1.793 -7.877 1.00 0.00 C ATOM 833 C LYS A 55 11.816 -2.803 -9.003 1.00 0.00 C ATOM 834 O LYS A 55 12.254 -2.453 -10.092 1.00 0.00 O ATOM 835 CB LYS A 55 13.059 -1.356 -7.410 1.00 0.00 C ATOM 836 CG LYS A 55 12.949 0.008 -6.722 1.00 0.00 C ATOM 837 CD LYS A 55 13.449 1.217 -7.522 1.00 0.00 C ATOM 838 CE LYS A 55 14.829 1.047 -8.165 1.00 0.00 C ATOM 839 NZ LYS A 55 15.972 0.881 -7.235 1.00 0.00 N ATOM 0 H LYS A 55 11.543 -2.473 -5.898 1.00 0.00 H new ATOM 0 HA LYS A 55 11.091 -0.978 -8.305 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.473 -2.092 -6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.740 -1.295 -8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.904 0.177 -6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.505 -0.036 -5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.725 1.438 -8.306 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.478 2.083 -6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.795 0.179 -8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.023 1.916 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.814 1.345 -7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.739 1.314 -6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.166 -0.132 -7.101 1.00 0.00 H new ATOM 853 N GLY A 56 11.382 -4.027 -8.775 1.00 0.00 N ATOM 854 CA GLY A 56 11.421 -5.104 -9.751 1.00 0.00 C ATOM 855 C GLY A 56 12.297 -6.294 -9.333 1.00 0.00 C ATOM 856 O GLY A 56 12.263 -7.316 -10.017 1.00 0.00 O ATOM 0 H GLY A 56 10.981 -4.310 -7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.405 -5.458 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.790 -4.709 -10.698 1.00 0.00 H new ATOM 860 N MET A 57 12.992 -6.203 -8.191 1.00 0.00 N ATOM 861 CA MET A 57 13.915 -7.138 -7.549 1.00 0.00 C ATOM 862 C MET A 57 15.097 -7.586 -8.429 1.00 0.00 C ATOM 863 O MET A 57 15.085 -7.431 -9.651 1.00 0.00 O ATOM 864 CB MET A 57 13.031 -8.264 -6.994 1.00 0.00 C ATOM 865 CG MET A 57 13.793 -9.429 -6.350 1.00 0.00 C ATOM 866 SD MET A 57 12.857 -10.472 -5.213 1.00 0.00 S ATOM 867 CE MET A 57 11.283 -10.692 -6.067 1.00 0.00 C ATOM 0 H MET A 57 12.905 -5.359 -7.625 1.00 0.00 H new ATOM 0 HA MET A 57 14.464 -6.658 -6.739 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.352 -7.841 -6.254 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.416 -8.656 -7.804 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.187 -10.060 -7.146 1.00 0.00 H new ATOM 0 HG3 MET A 57 14.649 -9.021 -5.813 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.797 -11.598 -5.706 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.640 -9.833 -5.872 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.460 -10.777 -7.139 1.00 0.00 H new ATOM 877 N VAL A 58 16.160 -8.092 -7.796 1.00 0.00 N ATOM 878 CA VAL A 58 17.362 -8.623 -8.430 1.00 0.00 C ATOM 879 C VAL A 58 17.807 -9.891 -7.692 1.00 0.00 C ATOM 880 O VAL A 58 17.508 -10.069 -6.507 1.00 0.00 O ATOM 881 CB VAL A 58 18.482 -7.555 -8.466 1.00 0.00 C ATOM 882 CG1 VAL A 58 18.083 -6.346 -9.320 1.00 0.00 C ATOM 883 CG2 VAL A 58 18.911 -7.035 -7.083 1.00 0.00 C ATOM 0 H VAL A 58 16.204 -8.143 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 58 17.142 -8.886 -9.465 1.00 0.00 H new ATOM 0 HB VAL A 58 19.330 -8.080 -8.905 1.00 0.00 H new ATOM 0 HG11 VAL A 58 18.894 -5.618 -9.321 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.886 -6.671 -10.341 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.185 -5.888 -8.905 1.00 0.00 H new ATOM 0 HG21 VAL A 58 19.699 -6.291 -7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.055 -6.580 -6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.283 -7.865 -6.482 1.00 0.00 H new ATOM 893 N PHE A 59 18.531 -10.775 -8.384 1.00 0.00 N ATOM 894 CA PHE A 59 19.191 -11.916 -7.760 1.00 0.00 C ATOM 895 C PHE A 59 20.453 -11.471 -7.044 1.00 0.00 C ATOM 896 O PHE A 59 21.054 -10.449 -7.381 1.00 0.00 O ATOM 897 CB PHE A 59 19.553 -12.979 -8.803 1.00 0.00 C ATOM 898 CG PHE A 59 18.538 -14.084 -8.965 1.00 0.00 C ATOM 899 CD1 PHE A 59 17.500 -13.955 -9.903 1.00 0.00 C ATOM 900 CD2 PHE A 59 18.654 -15.261 -8.201 1.00 0.00 C ATOM 901 CE1 PHE A 59 16.578 -14.999 -10.067 1.00 0.00 C ATOM 902 CE2 PHE A 59 17.729 -16.304 -8.371 1.00 0.00 C ATOM 903 CZ PHE A 59 16.683 -16.170 -9.300 1.00 0.00 C ATOM 0 H PHE A 59 18.674 -10.716 -9.392 1.00 0.00 H new ATOM 0 HA PHE A 59 18.496 -12.348 -7.040 1.00 0.00 H new ATOM 0 HB2 PHE A 59 19.691 -12.489 -9.767 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.511 -13.423 -8.531 1.00 0.00 H new ATOM 0 HD1 PHE A 59 17.412 -13.056 -10.495 1.00 0.00 H new ATOM 0 HD2 PHE A 59 19.455 -15.362 -7.484 1.00 0.00 H new ATOM 0 HE1 PHE A 59 15.781 -14.901 -10.789 1.00 0.00 H new ATOM 0 HE2 PHE A 59 17.821 -17.209 -7.788 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.963 -16.965 -9.423 1.00 0.00 H new ATOM 913 N LEU A 60 20.871 -12.319 -6.106 1.00 0.00 N ATOM 914 CA LEU A 60 22.198 -12.315 -5.512 1.00 0.00 C ATOM 915 C LEU A 60 23.049 -13.363 -6.213 1.00 0.00 C ATOM 916 O LEU A 60 22.520 -14.359 -6.717 1.00 0.00 O ATOM 917 CB LEU A 60 22.071 -12.669 -4.018 1.00 0.00 C ATOM 918 CG LEU A 60 21.227 -11.670 -3.207 1.00 0.00 C ATOM 919 CD1 LEU A 60 21.103 -12.159 -1.753 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.813 -10.255 -3.300 1.00 0.00 C ATOM 0 H LEU A 60 20.270 -13.052 -5.728 1.00 0.00 H new ATOM 0 HA LEU A 60 22.662 -11.334 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 60 21.628 -13.661 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 60 23.069 -12.724 -3.582 1.00 0.00 H new ATOM 0 HG LEU A 60 20.223 -11.617 -3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 60 20.505 -11.450 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 60 20.621 -13.136 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 60 22.096 -12.237 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.198 -9.568 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.829 -10.255 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 60 21.828 -9.935 -4.342 1.00 0.00 H new ATOM 932 N LYS A 61 24.369 -13.192 -6.146 1.00 0.00 N ATOM 933 CA LYS A 61 25.352 -14.208 -6.513 1.00 0.00 C ATOM 934 C LYS A 61 25.093 -15.456 -5.677 1.00 0.00 C ATOM 935 O LYS A 61 24.684 -15.364 -4.515 1.00 0.00 O ATOM 936 CB LYS A 61 26.759 -13.609 -6.320 1.00 0.00 C ATOM 937 CG LYS A 61 27.945 -14.556 -6.562 1.00 0.00 C ATOM 938 CD LYS A 61 28.414 -15.258 -5.279 1.00 0.00 C ATOM 939 CE LYS A 61 29.653 -16.098 -5.583 1.00 0.00 C ATOM 940 NZ LYS A 61 29.991 -17.019 -4.484 1.00 0.00 N ATOM 0 H LYS A 61 24.794 -12.321 -5.827 1.00 0.00 H new ATOM 0 HA LYS A 61 25.273 -14.508 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 61 26.861 -12.755 -6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 61 26.830 -13.226 -5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.661 -15.307 -7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 61 28.775 -13.991 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 61 28.642 -14.520 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 61 27.619 -15.892 -4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 61 29.485 -16.671 -6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 61 30.499 -15.437 -5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 30.838 -17.566 -4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 30.178 -16.473 -3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 29.196 -17.669 -4.318 1.00 0.00 H new ATOM 954 N GLY A 62 25.342 -16.625 -6.257 1.00 0.00 N ATOM 955 CA GLY A 62 24.751 -17.864 -5.786 1.00 0.00 C ATOM 956 C GLY A 62 23.329 -17.929 -6.314 1.00 0.00 C ATOM 957 O GLY A 62 23.025 -17.313 -7.339 1.00 0.00 O ATOM 0 H GLY A 62 25.957 -16.736 -7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.328 -18.720 -6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.756 -17.900 -4.697 1.00 0.00 H new ATOM 961 N LYS A 63 22.463 -18.715 -5.679 1.00 0.00 N ATOM 962 CA LYS A 63 21.082 -18.845 -6.146 1.00 0.00 C ATOM 963 C LYS A 63 20.088 -19.009 -4.998 1.00 0.00 C ATOM 964 O LYS A 63 18.968 -19.459 -5.222 1.00 0.00 O ATOM 965 CB LYS A 63 21.044 -19.975 -7.182 1.00 0.00 C ATOM 966 CG LYS A 63 20.027 -19.712 -8.302 1.00 0.00 C ATOM 967 CD LYS A 63 20.463 -20.486 -9.548 1.00 0.00 C ATOM 968 CE LYS A 63 19.362 -20.539 -10.602 1.00 0.00 C ATOM 969 NZ LYS A 63 19.613 -21.631 -11.563 1.00 0.00 N ATOM 0 H LYS A 63 22.687 -19.266 -4.850 1.00 0.00 H new ATOM 0 HA LYS A 63 20.755 -17.924 -6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.036 -20.098 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.797 -20.912 -6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.031 -20.027 -7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.971 -18.645 -8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.350 -20.017 -9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.743 -21.501 -9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.396 -20.687 -10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.311 -19.587 -11.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.835 -21.672 -12.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.509 -21.456 -12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.672 -22.535 -11.053 1.00 0.00 H new ATOM 983 N LEU A 64 20.498 -18.666 -3.775 1.00 0.00 N ATOM 984 CA LEU A 64 19.804 -18.932 -2.515 1.00 0.00 C ATOM 985 C LEU A 64 19.294 -17.619 -1.901 1.00 0.00 C ATOM 986 O LEU A 64 18.965 -17.556 -0.714 1.00 0.00 O ATOM 987 CB LEU A 64 20.740 -19.687 -1.542 1.00 0.00 C ATOM 988 CG LEU A 64 21.613 -20.799 -2.170 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.608 -21.341 -1.144 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.798 -21.953 -2.759 1.00 0.00 C ATOM 0 H LEU A 64 21.375 -18.166 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 64 18.939 -19.566 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.398 -18.961 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 64 20.131 -20.131 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 64 22.146 -20.333 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 64 23.214 -22.122 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 64 23.255 -20.533 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 64 22.065 -21.755 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 64 21.473 -22.697 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 64 20.198 -22.413 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.141 -21.572 -3.541 1.00 0.00 H new ATOM 1002 N GLY A 65 19.247 -16.535 -2.681 1.00 0.00 N ATOM 1003 CA GLY A 65 18.691 -15.279 -2.218 1.00 0.00 C ATOM 1004 C GLY A 65 18.531 -14.270 -3.345 1.00 0.00 C ATOM 1005 O GLY A 65 19.036 -14.440 -4.462 1.00 0.00 O ATOM 0 H GLY A 65 19.592 -16.512 -3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.721 -15.462 -1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.337 -14.860 -1.447 1.00 0.00 H new ATOM 1009 N VAL A 66 17.833 -13.195 -3.030 1.00 0.00 N ATOM 1010 CA VAL A 66 17.471 -12.085 -3.897 1.00 0.00 C ATOM 1011 C VAL A 66 17.432 -10.854 -2.990 1.00 0.00 C ATOM 1012 O VAL A 66 17.407 -10.978 -1.766 1.00 0.00 O ATOM 1013 CB VAL A 66 16.106 -12.375 -4.560 1.00 0.00 C ATOM 1014 CG1 VAL A 66 16.200 -13.149 -5.885 1.00 0.00 C ATOM 1015 CG2 VAL A 66 15.038 -12.758 -3.530 1.00 0.00 C ATOM 0 H VAL A 66 17.475 -13.063 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 66 18.178 -11.928 -4.711 1.00 0.00 H new ATOM 0 HB VAL A 66 15.698 -11.444 -4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.199 -13.311 -6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 66 16.787 -12.574 -6.601 1.00 0.00 H new ATOM 0 HG13 VAL A 66 16.681 -14.111 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.094 -12.953 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.353 -13.654 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.905 -11.940 -2.822 1.00 0.00 H new ATOM 1025 N CYS A 67 17.414 -9.657 -3.554 1.00 0.00 N ATOM 1026 CA CYS A 67 17.209 -8.425 -2.807 1.00 0.00 C ATOM 1027 C CYS A 67 16.423 -7.479 -3.706 1.00 0.00 C ATOM 1028 O CYS A 67 16.391 -7.661 -4.925 1.00 0.00 O ATOM 1029 CB CYS A 67 18.567 -7.821 -2.434 1.00 0.00 C ATOM 1030 SG CYS A 67 19.436 -8.746 -1.153 1.00 0.00 S ATOM 0 H CYS A 67 17.543 -9.511 -4.555 1.00 0.00 H new ATOM 0 HA CYS A 67 16.660 -8.606 -1.883 1.00 0.00 H new ATOM 0 HB2 CYS A 67 19.193 -7.774 -3.325 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.419 -6.796 -2.094 1.00 0.00 H new ATOM 0 HG CYS A 67 18.885 -9.915 -1.012 1.00 0.00 H new ATOM 1036 N PHE A 68 15.803 -6.460 -3.126 1.00 0.00 N ATOM 1037 CA PHE A 68 15.104 -5.440 -3.885 1.00 0.00 C ATOM 1038 C PHE A 68 15.241 -4.112 -3.173 1.00 0.00 C ATOM 1039 O PHE A 68 15.530 -4.067 -1.979 1.00 0.00 O ATOM 1040 CB PHE A 68 13.630 -5.825 -4.078 1.00 0.00 C ATOM 1041 CG PHE A 68 12.822 -6.077 -2.816 1.00 0.00 C ATOM 1042 CD1 PHE A 68 12.465 -5.021 -1.956 1.00 0.00 C ATOM 1043 CD2 PHE A 68 12.394 -7.382 -2.520 1.00 0.00 C ATOM 1044 CE1 PHE A 68 11.712 -5.276 -0.797 1.00 0.00 C ATOM 1045 CE2 PHE A 68 11.641 -7.640 -1.361 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.311 -6.587 -0.494 1.00 0.00 C ATOM 0 H PHE A 68 15.772 -6.320 -2.116 1.00 0.00 H new ATOM 0 HA PHE A 68 15.547 -5.353 -4.877 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.141 -5.031 -4.642 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.590 -6.724 -4.693 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.771 -4.011 -2.188 1.00 0.00 H new ATOM 0 HD2 PHE A 68 12.645 -8.193 -3.188 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.442 -4.463 -0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.317 -8.646 -1.139 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.749 -6.785 0.406 1.00 0.00 H new ATOM 1056 N ASP A 69 14.963 -3.034 -3.891 1.00 0.00 N ATOM 1057 CA ASP A 69 14.863 -1.703 -3.322 1.00 0.00 C ATOM 1058 C ASP A 69 13.384 -1.388 -3.150 1.00 0.00 C ATOM 1059 O ASP A 69 12.553 -1.764 -3.991 1.00 0.00 O ATOM 1060 CB ASP A 69 15.511 -0.683 -4.260 1.00 0.00 C ATOM 1061 CG ASP A 69 16.978 -0.376 -4.000 1.00 0.00 C ATOM 1062 OD1 ASP A 69 17.687 -1.216 -3.396 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.388 0.697 -4.496 1.00 0.00 O ATOM 0 H ASP A 69 14.799 -3.062 -4.897 1.00 0.00 H new ATOM 0 HA ASP A 69 15.378 -1.656 -2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 69 15.412 -1.046 -5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 69 14.948 0.248 -4.196 1.00 0.00 H new ATOM 1068 N VAL A 70 13.064 -0.651 -2.092 1.00 0.00 N ATOM 1069 CA VAL A 70 11.758 -0.046 -1.859 1.00 0.00 C ATOM 1070 C VAL A 70 11.970 1.370 -1.305 1.00 0.00 C ATOM 1071 O VAL A 70 13.048 1.672 -0.778 1.00 0.00 O ATOM 1072 CB VAL A 70 10.917 -0.909 -0.885 1.00 0.00 C ATOM 1073 CG1 VAL A 70 10.145 -2.009 -1.624 1.00 0.00 C ATOM 1074 CG2 VAL A 70 11.751 -1.532 0.243 1.00 0.00 C ATOM 0 H VAL A 70 13.731 -0.451 -1.346 1.00 0.00 H new ATOM 0 HA VAL A 70 11.204 0.010 -2.796 1.00 0.00 H new ATOM 0 HB VAL A 70 10.207 -0.220 -0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.567 -2.593 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.470 -1.555 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.848 -2.662 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.103 -2.124 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.521 -2.174 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.222 -0.741 0.827 1.00 0.00 H new ATOM 1084 N PRO A 71 10.955 2.248 -1.378 1.00 0.00 N ATOM 1085 CA PRO A 71 10.994 3.511 -0.664 1.00 0.00 C ATOM 1086 C PRO A 71 11.048 3.242 0.836 1.00 0.00 C ATOM 1087 O PRO A 71 10.383 2.331 1.336 1.00 0.00 O ATOM 1088 CB PRO A 71 9.729 4.267 -1.062 1.00 0.00 C ATOM 1089 CG PRO A 71 8.785 3.197 -1.598 1.00 0.00 C ATOM 1090 CD PRO A 71 9.711 2.104 -2.122 1.00 0.00 C ATOM 0 HA PRO A 71 11.875 4.103 -0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.294 4.786 -0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.941 5.022 -1.819 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.127 2.819 -0.815 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.147 3.590 -2.389 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.276 1.116 -1.969 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.881 2.215 -3.193 1.00 0.00 H new ATOM 1098 N THR A 72 11.784 4.074 1.564 1.00 0.00 N ATOM 1099 CA THR A 72 11.990 3.976 3.003 1.00 0.00 C ATOM 1100 C THR A 72 10.667 3.856 3.768 1.00 0.00 C ATOM 1101 O THR A 72 10.586 3.102 4.736 1.00 0.00 O ATOM 1102 CB THR A 72 12.782 5.216 3.433 1.00 0.00 C ATOM 1103 OG1 THR A 72 13.894 5.398 2.585 1.00 0.00 O ATOM 1104 CG2 THR A 72 13.280 5.161 4.864 1.00 0.00 C ATOM 0 H THR A 72 12.273 4.868 1.150 1.00 0.00 H new ATOM 0 HA THR A 72 12.545 3.068 3.240 1.00 0.00 H new ATOM 0 HB THR A 72 12.083 6.050 3.361 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.128 6.349 2.551 1.00 0.00 H new ATOM 0 HG21 THR A 72 13.831 6.073 5.093 1.00 0.00 H new ATOM 0 HG22 THR A 72 12.431 5.070 5.541 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.937 4.300 4.988 1.00 0.00 H new ATOM 1112 N ALA A 73 9.612 4.548 3.323 1.00 0.00 N ATOM 1113 CA ALA A 73 8.313 4.462 3.979 1.00 0.00 C ATOM 1114 C ALA A 73 7.693 3.063 3.842 1.00 0.00 C ATOM 1115 O ALA A 73 7.051 2.576 4.774 1.00 0.00 O ATOM 1116 CB ALA A 73 7.383 5.530 3.403 1.00 0.00 C ATOM 0 H ALA A 73 9.637 5.170 2.515 1.00 0.00 H new ATOM 0 HA ALA A 73 8.454 4.640 5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.411 5.468 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.813 6.517 3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.262 5.368 2.332 1.00 0.00 H new ATOM 1122 N SER A 74 7.868 2.408 2.691 1.00 0.00 N ATOM 1123 CA SER A 74 7.364 1.059 2.473 1.00 0.00 C ATOM 1124 C SER A 74 8.166 0.025 3.259 1.00 0.00 C ATOM 1125 O SER A 74 7.557 -0.941 3.715 1.00 0.00 O ATOM 1126 CB SER A 74 7.349 0.734 0.980 1.00 0.00 C ATOM 1127 OG SER A 74 6.322 1.489 0.366 1.00 0.00 O ATOM 0 H SER A 74 8.362 2.801 1.890 1.00 0.00 H new ATOM 0 HA SER A 74 6.340 1.016 2.844 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.314 0.971 0.531 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.179 -0.332 0.826 1.00 0.00 H new ATOM 0 HG SER A 74 5.675 0.883 -0.052 1.00 0.00 H new ATOM 1133 N VAL A 75 9.471 0.235 3.494 1.00 0.00 N ATOM 1134 CA VAL A 75 10.285 -0.633 4.356 1.00 0.00 C ATOM 1135 C VAL A 75 9.543 -0.850 5.672 1.00 0.00 C ATOM 1136 O VAL A 75 9.285 -1.990 6.067 1.00 0.00 O ATOM 1137 CB VAL A 75 11.686 -0.038 4.611 1.00 0.00 C ATOM 1138 CG1 VAL A 75 12.547 -0.937 5.507 1.00 0.00 C ATOM 1139 CG2 VAL A 75 12.472 0.217 3.324 1.00 0.00 C ATOM 0 H VAL A 75 9.991 1.014 3.090 1.00 0.00 H new ATOM 0 HA VAL A 75 10.436 -1.587 3.852 1.00 0.00 H new ATOM 0 HB VAL A 75 11.488 0.911 5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.523 -0.474 5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.056 -1.067 6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.675 -1.909 5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.448 0.635 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.605 -0.722 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.924 0.920 2.696 1.00 0.00 H new ATOM 1149 N THR A 76 9.115 0.240 6.315 1.00 0.00 N ATOM 1150 CA THR A 76 8.475 0.195 7.619 1.00 0.00 C ATOM 1151 C THR A 76 7.072 -0.434 7.585 1.00 0.00 C ATOM 1152 O THR A 76 6.476 -0.607 8.642 1.00 0.00 O ATOM 1153 CB THR A 76 8.412 1.611 8.227 1.00 0.00 C ATOM 1154 OG1 THR A 76 9.400 2.481 7.700 1.00 0.00 O ATOM 1155 CG2 THR A 76 8.532 1.620 9.753 1.00 0.00 C ATOM 0 H THR A 76 9.207 1.183 5.936 1.00 0.00 H new ATOM 0 HA THR A 76 9.088 -0.451 8.247 1.00 0.00 H new ATOM 0 HB THR A 76 7.423 1.973 7.947 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.315 3.364 8.117 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.480 2.646 10.116 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.716 1.041 10.186 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.485 1.179 10.046 1.00 0.00 H new ATOM 1163 N GLU A 77 6.581 -0.911 6.440 1.00 0.00 N ATOM 1164 CA GLU A 77 5.319 -1.634 6.348 1.00 0.00 C ATOM 1165 C GLU A 77 5.498 -3.096 5.914 1.00 0.00 C ATOM 1166 O GLU A 77 4.506 -3.811 5.801 1.00 0.00 O ATOM 1167 CB GLU A 77 4.391 -0.851 5.413 1.00 0.00 C ATOM 1168 CG GLU A 77 2.924 -1.005 5.829 1.00 0.00 C ATOM 1169 CD GLU A 77 2.039 -0.001 5.101 1.00 0.00 C ATOM 1170 OE1 GLU A 77 2.238 1.225 5.267 1.00 0.00 O ATOM 1171 OE2 GLU A 77 1.131 -0.425 4.354 1.00 0.00 O ATOM 0 H GLU A 77 7.056 -0.803 5.544 1.00 0.00 H new ATOM 0 HA GLU A 77 4.869 -1.700 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.666 0.204 5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.520 -1.204 4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.585 -2.018 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.831 -0.863 6.906 1.00 0.00 H new ATOM 1178 N ILE A 78 6.725 -3.554 5.648 1.00 0.00 N ATOM 1179 CA ILE A 78 7.000 -4.927 5.211 1.00 0.00 C ATOM 1180 C ILE A 78 7.454 -5.768 6.406 1.00 0.00 C ATOM 1181 O ILE A 78 6.882 -6.820 6.673 1.00 0.00 O ATOM 1182 CB ILE A 78 8.036 -4.912 4.066 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.467 -4.201 2.817 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.455 -6.340 3.687 1.00 0.00 C ATOM 1185 CD1 ILE A 78 8.552 -3.470 2.027 1.00 0.00 C ATOM 0 H ILE A 78 7.563 -2.978 5.730 1.00 0.00 H new ATOM 0 HA ILE A 78 6.093 -5.387 4.819 1.00 0.00 H new ATOM 0 HB ILE A 78 8.909 -4.366 4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.982 -4.934 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.701 -3.489 3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.185 -6.302 2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.898 -6.831 4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.580 -6.901 3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.106 -2.986 1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.020 -2.718 2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.305 -4.185 1.696 1.00 0.00 H new ATOM 1197 N GLN A 79 8.472 -5.310 7.136 1.00 0.00 N ATOM 1198 CA GLN A 79 8.980 -5.980 8.329 1.00 0.00 C ATOM 1199 C GLN A 79 7.866 -6.122 9.380 1.00 0.00 C ATOM 1200 O GLN A 79 7.698 -7.208 9.927 1.00 0.00 O ATOM 1201 CB GLN A 79 10.225 -5.252 8.865 1.00 0.00 C ATOM 1202 CG GLN A 79 11.328 -5.141 7.799 1.00 0.00 C ATOM 1203 CD GLN A 79 12.709 -5.251 8.432 1.00 0.00 C ATOM 1204 OE1 GLN A 79 13.037 -4.545 9.386 1.00 0.00 O ATOM 1205 NE2 GLN A 79 13.536 -6.151 7.926 1.00 0.00 N ATOM 0 H GLN A 79 8.973 -4.450 6.910 1.00 0.00 H new ATOM 0 HA GLN A 79 9.297 -6.991 8.071 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.945 -4.254 9.203 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.612 -5.785 9.733 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.201 -5.928 7.055 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.238 -4.189 7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.243 -6.725 7.135 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.466 -6.271 8.326 1.00 0.00 H new ATOM 1214 N GLU A 80 7.046 -5.078 9.543 1.00 0.00 N ATOM 1215 CA GLU A 80 5.831 -4.954 10.348 1.00 0.00 C ATOM 1216 C GLU A 80 4.775 -6.021 10.039 1.00 0.00 C ATOM 1217 O GLU A 80 3.831 -6.196 10.814 1.00 0.00 O ATOM 1218 CB GLU A 80 5.210 -3.564 10.059 1.00 0.00 C ATOM 1219 CG GLU A 80 5.295 -2.564 11.219 1.00 0.00 C ATOM 1220 CD GLU A 80 6.677 -1.958 11.466 1.00 0.00 C ATOM 1221 OE1 GLU A 80 7.726 -2.594 11.213 1.00 0.00 O ATOM 1222 OE2 GLU A 80 6.754 -0.833 12.007 1.00 0.00 O ATOM 0 H GLU A 80 7.242 -4.202 9.058 1.00 0.00 H new ATOM 0 HA GLU A 80 6.119 -5.083 11.391 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.708 -3.133 9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.162 -3.699 9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.591 -1.754 11.030 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.968 -3.064 12.131 1.00 0.00 H new ATOM 1229 N LYS A 81 4.877 -6.694 8.895 1.00 0.00 N ATOM 1230 CA LYS A 81 3.944 -7.714 8.438 1.00 0.00 C ATOM 1231 C LYS A 81 4.610 -9.087 8.415 1.00 0.00 C ATOM 1232 O LYS A 81 3.896 -10.089 8.373 1.00 0.00 O ATOM 1233 CB LYS A 81 3.472 -7.340 7.025 1.00 0.00 C ATOM 1234 CG LYS A 81 2.297 -6.352 6.975 1.00 0.00 C ATOM 1235 CD LYS A 81 0.961 -7.105 6.982 1.00 0.00 C ATOM 1236 CE LYS A 81 -0.200 -6.195 6.578 1.00 0.00 C ATOM 1237 NZ LYS A 81 -1.398 -6.980 6.216 1.00 0.00 N ATOM 0 H LYS A 81 5.641 -6.536 8.238 1.00 0.00 H new ATOM 0 HA LYS A 81 3.097 -7.763 9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.312 -6.911 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.184 -8.251 6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.345 -5.677 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.370 -5.737 6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.016 -7.951 6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.777 -7.511 7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.439 -5.521 7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.099 -5.574 5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.168 -6.335 5.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.175 -7.605 5.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.696 -7.554 7.031 1.00 0.00 H new ATOM 1251 N TRP A 82 5.939 -9.172 8.399 1.00 0.00 N ATOM 1252 CA TRP A 82 6.618 -10.426 8.193 1.00 0.00 C ATOM 1253 C TRP A 82 6.587 -11.243 9.489 1.00 0.00 C ATOM 1254 O TRP A 82 6.792 -10.688 10.569 1.00 0.00 O ATOM 1255 CB TRP A 82 8.031 -10.136 7.731 1.00 0.00 C ATOM 1256 CG TRP A 82 8.703 -11.393 7.345 1.00 0.00 C ATOM 1257 CD1 TRP A 82 9.450 -12.137 8.177 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.596 -12.134 6.098 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.897 -13.252 7.502 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.377 -13.317 6.221 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.929 -11.908 4.876 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.526 -14.216 5.155 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 8.073 -12.801 3.800 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.893 -13.935 3.927 1.00 0.00 C ATOM 0 H TRP A 82 6.561 -8.374 8.528 1.00 0.00 H new ATOM 0 HA TRP A 82 6.122 -11.020 7.425 1.00 0.00 H new ATOM 0 HB2 TRP A 82 8.012 -9.449 6.885 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.590 -9.645 8.528 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.665 -11.900 9.208 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.533 -13.944 7.898 1.00 0.00 H new ATOM 0 HE3 TRP A 82 7.299 -11.037 4.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.118 -15.112 5.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.552 -12.615 2.873 1.00 0.00 H new ATOM 0 HH2 TRP A 82 9.039 -14.592 3.083 1.00 0.00 H new ATOM 1275 N HIS A 83 6.358 -12.554 9.387 1.00 0.00 N ATOM 1276 CA HIS A 83 6.201 -13.457 10.530 1.00 0.00 C ATOM 1277 C HIS A 83 7.109 -14.692 10.498 1.00 0.00 C ATOM 1278 O HIS A 83 7.052 -15.492 11.433 1.00 0.00 O ATOM 1279 CB HIS A 83 4.717 -13.834 10.709 1.00 0.00 C ATOM 1280 CG HIS A 83 3.998 -13.001 11.744 1.00 0.00 C ATOM 1281 ND1 HIS A 83 4.456 -12.716 13.014 1.00 0.00 N ATOM 1282 CD2 HIS A 83 2.733 -12.490 11.635 1.00 0.00 C ATOM 1283 CE1 HIS A 83 3.501 -12.017 13.648 1.00 0.00 C ATOM 1284 NE2 HIS A 83 2.421 -11.882 12.858 1.00 0.00 N ATOM 0 H HIS A 83 6.275 -13.028 8.488 1.00 0.00 H new ATOM 0 HA HIS A 83 6.538 -12.902 11.406 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.207 -13.728 9.752 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.650 -14.885 10.991 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.093 -12.545 10.767 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.588 -11.620 14.649 1.00 0.00 H new ATOM 0 HE2 HIS A 83 1.543 -11.424 13.102 1.00 0.00 H new ATOM 1292 N ASP A 84 7.985 -14.794 9.496 1.00 0.00 N ATOM 1293 CA ASP A 84 8.894 -15.912 9.214 1.00 0.00 C ATOM 1294 C ASP A 84 8.149 -17.169 8.762 1.00 0.00 C ATOM 1295 O ASP A 84 7.052 -17.489 9.225 1.00 0.00 O ATOM 1296 CB ASP A 84 9.911 -16.135 10.357 1.00 0.00 C ATOM 1297 CG ASP A 84 10.192 -17.601 10.709 1.00 0.00 C ATOM 1298 OD1 ASP A 84 9.405 -18.239 11.449 1.00 0.00 O ATOM 1299 OD2 ASP A 84 11.265 -18.121 10.330 1.00 0.00 O ATOM 0 H ASP A 84 8.087 -14.045 8.811 1.00 0.00 H new ATOM 0 HA ASP A 84 9.502 -15.635 8.353 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.852 -15.658 10.082 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.546 -15.628 11.250 1.00 0.00 H new ATOM 1304 N SER A 85 8.763 -17.893 7.825 1.00 0.00 N ATOM 1305 CA SER A 85 8.196 -19.093 7.233 1.00 0.00 C ATOM 1306 C SER A 85 9.174 -20.249 7.404 1.00 0.00 C ATOM 1307 O SER A 85 10.372 -20.045 7.615 1.00 0.00 O ATOM 1308 CB SER A 85 7.907 -18.893 5.740 1.00 0.00 C ATOM 1309 OG SER A 85 7.312 -17.663 5.384 1.00 0.00 O ATOM 0 H SER A 85 9.683 -17.653 7.454 1.00 0.00 H new ATOM 0 HA SER A 85 7.256 -19.313 7.739 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.844 -18.993 5.192 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.255 -19.700 5.405 1.00 0.00 H new ATOM 0 HG SER A 85 7.042 -17.690 4.442 1.00 0.00 H new ATOM 1315 N ARG A 86 8.687 -21.474 7.186 1.00 0.00 N ATOM 1316 CA ARG A 86 9.475 -22.706 7.262 1.00 0.00 C ATOM 1317 C ARG A 86 10.673 -22.743 6.295 1.00 0.00 C ATOM 1318 O ARG A 86 11.487 -23.663 6.389 1.00 0.00 O ATOM 1319 CB ARG A 86 8.542 -23.924 7.060 1.00 0.00 C ATOM 1320 CG ARG A 86 7.977 -24.509 8.368 1.00 0.00 C ATOM 1321 CD ARG A 86 6.806 -23.739 8.994 1.00 0.00 C ATOM 1322 NE ARG A 86 6.395 -24.359 10.272 1.00 0.00 N ATOM 1323 CZ ARG A 86 5.181 -24.350 10.838 1.00 0.00 C ATOM 1324 NH1 ARG A 86 4.120 -23.880 10.198 1.00 0.00 N ATOM 1325 NH2 ARG A 86 5.032 -24.822 12.072 1.00 0.00 N ATOM 0 H ARG A 86 7.710 -21.640 6.946 1.00 0.00 H new ATOM 0 HA ARG A 86 9.920 -22.743 8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.712 -23.629 6.418 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.091 -24.705 6.533 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.653 -25.532 8.176 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.784 -24.562 9.099 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.096 -22.702 9.164 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.963 -23.725 8.303 1.00 0.00 H new ATOM 0 HE ARG A 86 7.125 -24.854 10.785 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.217 -23.513 9.251 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.207 -23.885 10.652 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.838 -25.187 12.579 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.111 -24.819 12.511 1.00 0.00 H new ATOM 1339 N ARG A 87 10.815 -21.790 5.365 1.00 0.00 N ATOM 1340 CA ARG A 87 11.929 -21.757 4.415 1.00 0.00 C ATOM 1341 C ARG A 87 12.508 -20.354 4.187 1.00 0.00 C ATOM 1342 O ARG A 87 13.448 -20.223 3.395 1.00 0.00 O ATOM 1343 CB ARG A 87 11.446 -22.452 3.126 1.00 0.00 C ATOM 1344 CG ARG A 87 12.594 -23.007 2.279 1.00 0.00 C ATOM 1345 CD ARG A 87 12.120 -24.076 1.284 1.00 0.00 C ATOM 1346 NE ARG A 87 12.413 -25.440 1.764 1.00 0.00 N ATOM 1347 CZ ARG A 87 11.621 -26.220 2.515 1.00 0.00 C ATOM 1348 NH1 ARG A 87 10.402 -25.840 2.870 1.00 0.00 N ATOM 1349 NH2 ARG A 87 12.063 -27.403 2.921 1.00 0.00 N ATOM 0 H ARG A 87 10.157 -21.019 5.252 1.00 0.00 H new ATOM 0 HA ARG A 87 12.782 -22.297 4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.770 -23.266 3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.873 -21.742 2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.068 -22.191 1.734 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.352 -23.435 2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.047 -23.971 1.121 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.606 -23.917 0.321 1.00 0.00 H new ATOM 0 HE ARG A 87 13.315 -25.832 1.496 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.043 -24.933 2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.822 -26.455 3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.999 -27.714 2.662 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.467 -28.002 3.492 1.00 0.00 H new ATOM 1363 N TRP A 88 12.001 -19.313 4.862 1.00 0.00 N ATOM 1364 CA TRP A 88 12.301 -17.915 4.537 1.00 0.00 C ATOM 1365 C TRP A 88 12.480 -17.095 5.804 1.00 0.00 C ATOM 1366 O TRP A 88 11.712 -17.271 6.754 1.00 0.00 O ATOM 1367 CB TRP A 88 11.139 -17.304 3.749 1.00 0.00 C ATOM 1368 CG TRP A 88 10.834 -17.955 2.446 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.105 -19.075 2.282 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.198 -17.520 1.111 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.014 -19.378 0.945 1.00 0.00 N ATOM 1372 CE2 TRP A 88 10.725 -18.483 0.179 1.00 0.00 C ATOM 1373 CE3 TRP A 88 11.849 -16.388 0.594 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 10.995 -18.389 -1.189 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 12.142 -16.282 -0.776 1.00 0.00 C ATOM 1376 CH2 TRP A 88 11.755 -17.306 -1.658 1.00 0.00 C ATOM 0 H TRP A 88 11.367 -19.420 5.654 1.00 0.00 H new ATOM 0 HA TRP A 88 13.219 -17.899 3.950 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.244 -17.338 4.370 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.360 -16.252 3.567 1.00 0.00 H new ATOM 0 HD1 TRP A 88 9.659 -19.649 3.081 1.00 0.00 H new ATOM 0 HE1 TRP A 88 9.487 -20.166 0.568 1.00 0.00 H new ATOM 0 HE3 TRP A 88 12.129 -15.586 1.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 10.625 -19.137 -1.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 12.664 -15.414 -1.151 1.00 0.00 H new ATOM 0 HH2 TRP A 88 12.043 -17.259 -2.698 1.00 0.00 H new ATOM 1387 N GLN A 89 13.442 -16.169 5.797 1.00 0.00 N ATOM 1388 CA GLN A 89 13.556 -15.105 6.784 1.00 0.00 C ATOM 1389 C GLN A 89 13.867 -13.799 6.049 1.00 0.00 C ATOM 1390 O GLN A 89 14.411 -13.807 4.937 1.00 0.00 O ATOM 1391 CB GLN A 89 14.639 -15.394 7.836 1.00 0.00 C ATOM 1392 CG GLN A 89 14.316 -16.571 8.768 1.00 0.00 C ATOM 1393 CD GLN A 89 14.789 -17.911 8.212 1.00 0.00 C ATOM 1394 OE1 GLN A 89 15.990 -18.164 8.133 1.00 0.00 O ATOM 1395 NE2 GLN A 89 13.898 -18.816 7.841 1.00 0.00 N ATOM 0 H GLN A 89 14.176 -16.142 5.089 1.00 0.00 H new ATOM 0 HA GLN A 89 12.612 -15.030 7.323 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.580 -15.598 7.325 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.791 -14.499 8.439 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.783 -16.400 9.738 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.240 -16.612 8.935 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.902 -18.607 7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.207 -19.722 7.490 1.00 0.00 H new ATOM 1404 N LEU A 90 13.535 -12.680 6.685 1.00 0.00 N ATOM 1405 CA LEU A 90 13.554 -11.340 6.110 1.00 0.00 C ATOM 1406 C LEU A 90 14.602 -10.476 6.772 1.00 0.00 C ATOM 1407 O LEU A 90 15.155 -10.812 7.823 1.00 0.00 O ATOM 1408 CB LEU A 90 12.166 -10.694 6.268 1.00 0.00 C ATOM 1409 CG LEU A 90 11.371 -10.495 4.975 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.669 -9.194 4.248 1.00 0.00 C ATOM 1411 CD2 LEU A 90 11.467 -11.682 4.014 1.00 0.00 C ATOM 0 H LEU A 90 13.232 -12.683 7.659 1.00 0.00 H new ATOM 0 HA LEU A 90 13.804 -11.422 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.574 -11.311 6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.291 -9.723 6.748 1.00 0.00 H new ATOM 0 HG LEU A 90 10.340 -10.429 5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.063 -9.135 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.433 -8.352 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.725 -9.161 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.881 -11.474 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.509 -11.842 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.080 -12.577 4.501 1.00 0.00 H new ATOM 1423 N SER A 91 14.860 -9.341 6.132 1.00 0.00 N ATOM 1424 CA SER A 91 15.986 -8.493 6.481 1.00 0.00 C ATOM 1425 C SER A 91 15.844 -7.150 5.768 1.00 0.00 C ATOM 1426 O SER A 91 14.918 -6.946 4.978 1.00 0.00 O ATOM 1427 CB SER A 91 17.264 -9.251 6.105 1.00 0.00 C ATOM 1428 OG SER A 91 18.453 -8.495 6.203 1.00 0.00 O ATOM 0 H SER A 91 14.295 -8.987 5.360 1.00 0.00 H new ATOM 0 HA SER A 91 16.025 -8.270 7.547 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.353 -10.126 6.749 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.166 -9.616 5.083 1.00 0.00 H new ATOM 0 HG SER A 91 19.217 -9.053 5.948 1.00 0.00 H new ATOM 1434 N VAL A 92 16.747 -6.228 6.078 1.00 0.00 N ATOM 1435 CA VAL A 92 16.857 -4.872 5.591 1.00 0.00 C ATOM 1436 C VAL A 92 18.332 -4.471 5.671 1.00 0.00 C ATOM 1437 O VAL A 92 19.087 -5.045 6.463 1.00 0.00 O ATOM 1438 CB VAL A 92 15.937 -4.021 6.472 1.00 0.00 C ATOM 1439 CG1 VAL A 92 16.421 -3.868 7.919 1.00 0.00 C ATOM 1440 CG2 VAL A 92 15.651 -2.640 5.875 1.00 0.00 C ATOM 0 H VAL A 92 17.491 -6.440 6.743 1.00 0.00 H new ATOM 0 HA VAL A 92 16.548 -4.742 4.554 1.00 0.00 H new ATOM 0 HB VAL A 92 15.007 -4.589 6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 92 15.715 -3.252 8.476 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.491 -4.851 8.385 1.00 0.00 H new ATOM 0 HG13 VAL A 92 17.402 -3.392 7.926 1.00 0.00 H new ATOM 0 HG21 VAL A 92 14.994 -2.083 6.544 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.588 -2.096 5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 92 15.167 -2.756 4.905 1.00 0.00 H new ATOM 1450 N ALA A 93 18.728 -3.477 4.878 1.00 0.00 N ATOM 1451 CA ALA A 93 20.064 -2.909 4.923 1.00 0.00 C ATOM 1452 C ALA A 93 20.298 -2.153 6.235 1.00 0.00 C ATOM 1453 O ALA A 93 19.361 -1.894 7.002 1.00 0.00 O ATOM 1454 CB ALA A 93 20.243 -1.974 3.729 1.00 0.00 C ATOM 0 H ALA A 93 18.122 -3.043 4.182 1.00 0.00 H new ATOM 0 HA ALA A 93 20.797 -3.715 4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.243 -1.541 3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.112 -2.536 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.502 -1.176 3.777 1.00 0.00 H new