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 28 CYS SG : rot 94:sc= 0.149 USER MOD Set 1.2: A 32 MET CE :methyl -158:sc= -0.0446 (180deg=-0.539) USER MOD Single : A 23 THR OG1 : rot -30:sc= 1.25 USER MOD Single : A 24 MET CE :methyl 177:sc= -0.108 (180deg=-0.158) USER MOD Single : A 27 GLN : amide:sc= -0.0332 X(o=-0.033,f=-0.49) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.632 K(o=0.63,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 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+ 179:sc= 2.37 (180deg=2.36) USER MOD Single : A 45 GLN : amide:sc= 0.672 K(o=0.67,f=-4!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= 1.08 (180deg=0.923) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 154:sc= -1.12 (180deg=-1.66) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -2.18 USER MOD Single : A 72 THR OG1 : rot 144:sc= 0.938 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0072 USER MOD Single : A 79 GLN : amide:sc= -0.338 X(o=-0.34,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -144:sc= 1.08 (180deg=0.335) USER MOD Single : A 83 HIS : no HE2:sc= 0.378 K(o=0.38,f=-2.7!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.246 X(o=0.25,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0615 USER MOD ----------------------------------------------------------------- ATOM 270 N GLY A 20 14.650 7.651 1.994 1.00 0.00 N ATOM 271 CA GLY A 20 14.908 7.535 0.580 1.00 0.00 C ATOM 272 C GLY A 20 14.306 6.233 0.096 1.00 0.00 C ATOM 273 O GLY A 20 13.080 6.070 0.120 1.00 0.00 O ATOM 0 HA2 GLY A 20 14.473 8.378 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.980 7.553 0.386 1.00 0.00 H new ATOM 277 N PHE A 21 15.165 5.302 -0.292 1.00 0.00 N ATOM 278 CA PHE A 21 14.858 3.903 -0.512 1.00 0.00 C ATOM 279 C PHE A 21 15.877 3.114 0.286 1.00 0.00 C ATOM 280 O PHE A 21 16.937 3.639 0.625 1.00 0.00 O ATOM 281 CB PHE A 21 14.956 3.571 -2.009 1.00 0.00 C ATOM 282 CG PHE A 21 13.856 4.129 -2.891 1.00 0.00 C ATOM 283 CD1 PHE A 21 13.799 5.508 -3.175 1.00 0.00 C ATOM 284 CD2 PHE A 21 12.911 3.262 -3.469 1.00 0.00 C ATOM 285 CE1 PHE A 21 12.780 6.019 -3.993 1.00 0.00 C ATOM 286 CE2 PHE A 21 11.882 3.775 -4.277 1.00 0.00 C ATOM 287 CZ PHE A 21 11.821 5.151 -4.540 1.00 0.00 C ATOM 0 H PHE A 21 16.146 5.517 -0.470 1.00 0.00 H new ATOM 0 HA PHE A 21 13.844 3.658 -0.195 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.913 3.939 -2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.967 2.487 -2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.542 6.174 -2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.976 2.199 -3.291 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.733 7.078 -4.202 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.140 3.111 -4.695 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.034 5.545 -5.166 1.00 0.00 H new ATOM 297 N VAL A 22 15.561 1.863 0.584 1.00 0.00 N ATOM 298 CA VAL A 22 16.462 0.972 1.281 1.00 0.00 C ATOM 299 C VAL A 22 16.343 -0.374 0.582 1.00 0.00 C ATOM 300 O VAL A 22 15.238 -0.821 0.248 1.00 0.00 O ATOM 301 CB VAL A 22 16.117 0.904 2.783 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.284 0.300 3.568 1.00 0.00 C ATOM 303 CG2 VAL A 22 15.786 2.257 3.423 1.00 0.00 C ATOM 0 H VAL A 22 14.665 1.439 0.345 1.00 0.00 H new ATOM 0 HA VAL A 22 17.494 1.321 1.245 1.00 0.00 H new ATOM 0 HB VAL A 22 15.221 0.285 2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 22 17.027 0.258 4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 22 17.485 -0.707 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.171 0.919 3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.556 2.114 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.642 2.925 3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 22 14.924 2.696 2.921 1.00 0.00 H new ATOM 313 N THR A 23 17.485 -0.998 0.317 1.00 0.00 N ATOM 314 CA THR A 23 17.525 -2.350 -0.195 1.00 0.00 C ATOM 315 C THR A 23 17.162 -3.300 0.960 1.00 0.00 C ATOM 316 O THR A 23 17.534 -3.058 2.112 1.00 0.00 O ATOM 317 CB THR A 23 18.916 -2.605 -0.807 1.00 0.00 C ATOM 318 OG1 THR A 23 19.380 -1.474 -1.535 1.00 0.00 O ATOM 319 CG2 THR A 23 18.911 -3.800 -1.764 1.00 0.00 C ATOM 0 H THR A 23 18.404 -0.576 0.453 1.00 0.00 H new ATOM 0 HA THR A 23 16.803 -2.522 -0.994 1.00 0.00 H new ATOM 0 HB THR A 23 19.577 -2.810 0.035 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.615 -0.991 -1.912 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.911 -3.943 -2.172 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.607 -4.697 -1.224 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.211 -3.612 -2.578 1.00 0.00 H new ATOM 327 N MET A 24 16.448 -4.392 0.681 1.00 0.00 N ATOM 328 CA MET A 24 16.168 -5.458 1.631 1.00 0.00 C ATOM 329 C MET A 24 16.761 -6.762 1.093 1.00 0.00 C ATOM 330 O MET A 24 17.158 -6.863 -0.071 1.00 0.00 O ATOM 331 CB MET A 24 14.665 -5.571 1.932 1.00 0.00 C ATOM 332 CG MET A 24 13.987 -4.234 2.233 1.00 0.00 C ATOM 333 SD MET A 24 12.196 -4.317 2.550 1.00 0.00 S ATOM 334 CE MET A 24 12.144 -5.324 4.052 1.00 0.00 C ATOM 0 H MET A 24 16.040 -4.559 -0.239 1.00 0.00 H new ATOM 0 HA MET A 24 16.639 -5.230 2.587 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.168 -6.034 1.079 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.525 -6.237 2.783 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.472 -3.788 3.102 1.00 0.00 H new ATOM 0 HG3 MET A 24 14.159 -3.562 1.392 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.113 -5.414 4.394 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.544 -6.315 3.839 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.744 -4.850 4.829 1.00 0.00 H new ATOM 344 N ILE A 25 16.834 -7.755 1.970 1.00 0.00 N ATOM 345 CA ILE A 25 17.719 -8.922 1.902 1.00 0.00 C ATOM 346 C ILE A 25 16.883 -10.174 2.146 1.00 0.00 C ATOM 347 O ILE A 25 16.447 -10.421 3.272 1.00 0.00 O ATOM 348 CB ILE A 25 18.831 -8.821 2.980 1.00 0.00 C ATOM 349 CG1 ILE A 25 19.538 -7.449 3.051 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.860 -9.963 2.854 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.306 -6.999 1.802 1.00 0.00 C ATOM 0 H ILE A 25 16.242 -7.773 2.801 1.00 0.00 H new ATOM 0 HA ILE A 25 18.193 -8.966 0.921 1.00 0.00 H new ATOM 0 HB ILE A 25 18.302 -8.928 3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 25 18.788 -6.692 3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.235 -7.469 3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.621 -9.854 3.627 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.356 -10.922 2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 25 20.332 -9.921 1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 25 20.754 -6.022 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 25 21.090 -7.722 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.620 -6.933 0.957 1.00 0.00 H new ATOM 363 N LEU A 26 16.609 -10.956 1.109 1.00 0.00 N ATOM 364 CA LEU A 26 15.880 -12.217 1.236 1.00 0.00 C ATOM 365 C LEU A 26 16.867 -13.351 1.039 1.00 0.00 C ATOM 366 O LEU A 26 17.407 -13.504 -0.060 1.00 0.00 O ATOM 367 CB LEU A 26 14.732 -12.299 0.218 1.00 0.00 C ATOM 368 CG LEU A 26 13.384 -11.895 0.827 1.00 0.00 C ATOM 369 CD1 LEU A 26 13.374 -10.422 1.269 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.265 -12.173 -0.173 1.00 0.00 C ATOM 0 H LEU A 26 16.886 -10.735 0.152 1.00 0.00 H new ATOM 0 HA LEU A 26 15.427 -12.286 2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.954 -11.651 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.664 -13.316 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 26 13.221 -12.495 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.401 -10.176 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.149 -10.262 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.565 -9.782 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.308 -11.885 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.438 -11.597 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.249 -13.236 -0.414 1.00 0.00 H new ATOM 382 N GLN A 27 17.144 -14.121 2.085 1.00 0.00 N ATOM 383 CA GLN A 27 17.844 -15.395 1.975 1.00 0.00 C ATOM 384 C GLN A 27 16.808 -16.501 2.064 1.00 0.00 C ATOM 385 O GLN A 27 15.855 -16.394 2.840 1.00 0.00 O ATOM 386 CB GLN A 27 18.859 -15.545 3.116 1.00 0.00 C ATOM 387 CG GLN A 27 20.259 -15.092 2.695 1.00 0.00 C ATOM 388 CD GLN A 27 20.980 -16.108 1.796 1.00 0.00 C ATOM 389 OE1 GLN A 27 20.875 -17.322 1.963 1.00 0.00 O ATOM 390 NE2 GLN A 27 21.719 -15.636 0.805 1.00 0.00 N ATOM 0 H GLN A 27 16.887 -13.876 3.041 1.00 0.00 H new ATOM 0 HA GLN A 27 18.384 -15.446 1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.530 -14.959 3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.895 -16.586 3.436 1.00 0.00 H new ATOM 0 HG2 GLN A 27 20.183 -14.141 2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 27 20.860 -14.915 3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 27 21.805 -14.629 0.668 1.00 0.00 H new ATOM 0 HE22 GLN A 27 22.203 -16.279 0.178 1.00 0.00 H new ATOM 399 N CYS A 28 17.043 -17.585 1.333 1.00 0.00 N ATOM 400 CA CYS A 28 16.254 -18.810 1.421 1.00 0.00 C ATOM 401 C CYS A 28 17.165 -20.033 1.407 1.00 0.00 C ATOM 402 O CYS A 28 18.341 -19.930 1.065 1.00 0.00 O ATOM 403 CB CYS A 28 15.230 -18.856 0.276 1.00 0.00 C ATOM 404 SG CYS A 28 15.999 -18.797 -1.356 1.00 0.00 S ATOM 0 H CYS A 28 17.800 -17.639 0.651 1.00 0.00 H new ATOM 0 HA CYS A 28 15.708 -18.818 2.364 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.638 -19.768 0.361 1.00 0.00 H new ATOM 0 HB3 CYS A 28 14.541 -18.018 0.378 1.00 0.00 H new ATOM 0 HG CYS A 28 16.182 -20.007 -1.793 1.00 0.00 H new ATOM 410 N SER A 29 16.621 -21.211 1.713 1.00 0.00 N ATOM 411 CA SER A 29 17.353 -22.477 1.655 1.00 0.00 C ATOM 412 C SER A 29 16.899 -23.332 0.456 1.00 0.00 C ATOM 413 O SER A 29 16.988 -24.564 0.484 1.00 0.00 O ATOM 414 CB SER A 29 17.223 -23.170 3.016 1.00 0.00 C ATOM 415 OG SER A 29 18.314 -24.039 3.242 1.00 0.00 O ATOM 0 H SER A 29 15.651 -21.315 2.011 1.00 0.00 H new ATOM 0 HA SER A 29 18.414 -22.306 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.178 -22.422 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.290 -23.732 3.055 1.00 0.00 H new ATOM 0 HG SER A 29 18.213 -24.470 4.116 1.00 0.00 H new ATOM 421 N ILE A 30 16.378 -22.701 -0.602 1.00 0.00 N ATOM 422 CA ILE A 30 15.899 -23.379 -1.806 1.00 0.00 C ATOM 423 C ILE A 30 16.476 -22.680 -3.022 1.00 0.00 C ATOM 424 O ILE A 30 16.715 -21.472 -2.994 1.00 0.00 O ATOM 425 CB ILE A 30 14.356 -23.462 -1.840 1.00 0.00 C ATOM 426 CG1 ILE A 30 13.604 -22.108 -1.770 1.00 0.00 C ATOM 427 CG2 ILE A 30 13.914 -24.381 -0.692 1.00 0.00 C ATOM 428 CD1 ILE A 30 13.314 -21.496 -3.146 1.00 0.00 C ATOM 0 H ILE A 30 16.277 -21.687 -0.644 1.00 0.00 H new ATOM 0 HA ILE A 30 16.244 -24.413 -1.805 1.00 0.00 H new ATOM 0 HB ILE A 30 14.085 -23.857 -2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.663 -22.252 -1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.195 -21.403 -1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.827 -24.461 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.350 -25.370 -0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.251 -23.965 0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.786 -20.551 -3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 30 14.253 -21.320 -3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.697 -22.182 -3.726 1.00 0.00 H new ATOM 440 N GLU A 31 16.726 -23.438 -4.083 1.00 0.00 N ATOM 441 CA GLU A 31 17.204 -22.843 -5.310 1.00 0.00 C ATOM 442 C GLU A 31 16.072 -22.024 -5.900 1.00 0.00 C ATOM 443 O GLU A 31 14.954 -22.534 -6.028 1.00 0.00 O ATOM 444 CB GLU A 31 17.671 -23.915 -6.289 1.00 0.00 C ATOM 445 CG GLU A 31 18.448 -23.298 -7.452 1.00 0.00 C ATOM 446 CD GLU A 31 18.688 -24.317 -8.558 1.00 0.00 C ATOM 447 OE1 GLU A 31 19.541 -25.216 -8.362 1.00 0.00 O ATOM 448 OE2 GLU A 31 18.075 -24.182 -9.642 1.00 0.00 O ATOM 0 H GLU A 31 16.606 -24.450 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 31 18.063 -22.203 -5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.301 -24.637 -5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 31 16.810 -24.462 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.895 -22.448 -7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.404 -22.916 -7.092 1.00 0.00 H new ATOM 455 N MET A 32 16.376 -20.793 -6.296 1.00 0.00 N ATOM 456 CA MET A 32 15.480 -19.931 -7.034 1.00 0.00 C ATOM 457 C MET A 32 15.943 -19.824 -8.491 1.00 0.00 C ATOM 458 O MET A 32 16.622 -18.858 -8.859 1.00 0.00 O ATOM 459 CB MET A 32 15.358 -18.559 -6.371 1.00 0.00 C ATOM 460 CG MET A 32 14.653 -18.605 -5.019 1.00 0.00 C ATOM 461 SD MET A 32 13.965 -16.991 -4.585 1.00 0.00 S ATOM 462 CE MET A 32 15.474 -16.128 -4.091 1.00 0.00 C ATOM 0 H MET A 32 17.280 -20.361 -6.104 1.00 0.00 H new ATOM 0 HA MET A 32 14.483 -20.371 -7.026 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.354 -18.136 -6.240 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.812 -17.889 -7.035 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.856 -19.348 -5.047 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.357 -18.922 -4.250 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.218 -15.290 -3.443 1.00 0.00 H new ATOM 0 HE2 MET A 32 16.127 -16.816 -3.554 1.00 0.00 H new ATOM 0 HE3 MET A 32 15.988 -15.757 -4.978 1.00 0.00 H new ATOM 472 N PRO A 33 15.559 -20.763 -9.369 1.00 0.00 N ATOM 473 CA PRO A 33 15.737 -20.601 -10.807 1.00 0.00 C ATOM 474 C PRO A 33 14.921 -19.428 -11.348 1.00 0.00 C ATOM 475 O PRO A 33 15.387 -18.690 -12.216 1.00 0.00 O ATOM 476 CB PRO A 33 15.266 -21.914 -11.425 1.00 0.00 C ATOM 477 CG PRO A 33 14.300 -22.480 -10.396 1.00 0.00 C ATOM 478 CD PRO A 33 14.915 -22.034 -9.080 1.00 0.00 C ATOM 0 HA PRO A 33 16.776 -20.381 -11.052 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.776 -21.750 -12.385 1.00 0.00 H new ATOM 0 HB3 PRO A 33 16.100 -22.592 -11.605 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.292 -22.085 -10.526 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.228 -23.566 -10.462 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.154 -21.923 -8.308 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.635 -22.766 -8.714 1.00 0.00 H new ATOM 486 N ASN A 34 13.708 -19.230 -10.821 1.00 0.00 N ATOM 487 CA ASN A 34 12.767 -18.236 -11.303 1.00 0.00 C ATOM 488 C ASN A 34 12.331 -17.365 -10.151 1.00 0.00 C ATOM 489 O ASN A 34 11.918 -17.861 -9.103 1.00 0.00 O ATOM 490 CB ASN A 34 11.576 -18.832 -12.065 1.00 0.00 C ATOM 491 CG ASN A 34 10.917 -20.072 -11.490 1.00 0.00 C ATOM 492 OD1 ASN A 34 10.711 -21.055 -12.184 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.566 -20.054 -10.226 1.00 0.00 N ATOM 0 H ASN A 34 13.354 -19.771 -10.032 1.00 0.00 H new ATOM 0 HA ASN A 34 13.282 -17.623 -12.043 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.814 -18.058 -12.153 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.909 -19.068 -13.076 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.114 -20.869 -9.810 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.745 -19.225 -9.659 1.00 0.00 H new ATOM 500 N ILE A 35 12.390 -16.061 -10.395 1.00 0.00 N ATOM 501 CA ILE A 35 12.141 -15.001 -9.419 1.00 0.00 C ATOM 502 C ILE A 35 10.748 -15.116 -8.764 1.00 0.00 C ATOM 503 O ILE A 35 10.533 -14.601 -7.667 1.00 0.00 O ATOM 504 CB ILE A 35 12.417 -13.644 -10.110 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.631 -12.508 -9.097 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.356 -13.304 -11.172 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.222 -11.239 -9.721 1.00 0.00 C ATOM 0 H ILE A 35 12.623 -15.695 -11.318 1.00 0.00 H new ATOM 0 HA ILE A 35 12.821 -15.096 -8.572 1.00 0.00 H new ATOM 0 HB ILE A 35 13.359 -13.752 -10.648 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.677 -12.264 -8.629 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.294 -12.857 -8.305 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.593 -12.343 -11.629 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.348 -14.078 -11.939 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.374 -13.250 -10.701 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.347 -10.479 -8.950 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.191 -11.469 -10.164 1.00 0.00 H new ATOM 0 HD13 ILE A 35 12.549 -10.866 -10.493 1.00 0.00 H new ATOM 519 N SER A 36 9.820 -15.842 -9.400 1.00 0.00 N ATOM 520 CA SER A 36 8.500 -16.191 -8.887 1.00 0.00 C ATOM 521 C SER A 36 8.552 -16.791 -7.472 1.00 0.00 C ATOM 522 O SER A 36 7.627 -16.573 -6.694 1.00 0.00 O ATOM 523 CB SER A 36 7.850 -17.166 -9.880 1.00 0.00 C ATOM 524 OG SER A 36 6.455 -17.267 -9.689 1.00 0.00 O ATOM 0 H SER A 36 9.983 -16.219 -10.334 1.00 0.00 H new ATOM 0 HA SER A 36 7.904 -15.283 -8.797 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.053 -16.835 -10.898 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.303 -18.151 -9.769 1.00 0.00 H new ATOM 0 HG SER A 36 6.080 -17.895 -10.341 1.00 0.00 H new ATOM 530 N TYR A 37 9.631 -17.506 -7.121 1.00 0.00 N ATOM 531 CA TYR A 37 9.771 -18.152 -5.823 1.00 0.00 C ATOM 532 C TYR A 37 9.602 -17.148 -4.676 1.00 0.00 C ATOM 533 O TYR A 37 8.740 -17.371 -3.823 1.00 0.00 O ATOM 534 CB TYR A 37 11.107 -18.911 -5.745 1.00 0.00 C ATOM 535 CG TYR A 37 11.014 -20.374 -6.138 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.337 -21.290 -5.307 1.00 0.00 C ATOM 537 CD2 TYR A 37 11.627 -20.828 -7.320 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.300 -22.656 -5.644 1.00 0.00 C ATOM 539 CE2 TYR A 37 11.571 -22.187 -7.678 1.00 0.00 C ATOM 540 CZ TYR A 37 10.934 -23.114 -6.821 1.00 0.00 C ATOM 541 OH TYR A 37 10.935 -24.442 -7.115 1.00 0.00 O ATOM 0 H TYR A 37 10.431 -17.649 -7.738 1.00 0.00 H new ATOM 0 HA TYR A 37 8.970 -18.883 -5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.831 -18.417 -6.393 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.492 -18.843 -4.727 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.846 -20.943 -4.410 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.145 -20.127 -7.958 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.786 -23.356 -5.002 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.013 -22.522 -8.605 1.00 0.00 H new ATOM 0 HH TYR A 37 11.411 -24.590 -7.959 1.00 0.00 H new ATOM 551 N ALA A 38 10.372 -16.049 -4.644 1.00 0.00 N ATOM 552 CA ALA A 38 10.235 -15.103 -3.534 1.00 0.00 C ATOM 553 C ALA A 38 8.971 -14.261 -3.669 1.00 0.00 C ATOM 554 O ALA A 38 8.411 -13.868 -2.649 1.00 0.00 O ATOM 555 CB ALA A 38 11.436 -14.168 -3.417 1.00 0.00 C ATOM 0 H ALA A 38 11.069 -15.802 -5.346 1.00 0.00 H new ATOM 0 HA ALA A 38 10.175 -15.711 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.286 -13.486 -2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.339 -14.755 -3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.541 -13.594 -4.338 1.00 0.00 H new ATOM 561 N TRP A 39 8.524 -13.986 -4.902 1.00 0.00 N ATOM 562 CA TRP A 39 7.293 -13.247 -5.141 1.00 0.00 C ATOM 563 C TRP A 39 6.128 -13.921 -4.423 1.00 0.00 C ATOM 564 O TRP A 39 5.387 -13.238 -3.727 1.00 0.00 O ATOM 565 CB TRP A 39 6.990 -13.118 -6.641 1.00 0.00 C ATOM 566 CG TRP A 39 7.731 -12.062 -7.405 1.00 0.00 C ATOM 567 CD1 TRP A 39 8.531 -12.263 -8.475 1.00 0.00 C ATOM 568 CD2 TRP A 39 7.691 -10.619 -7.212 1.00 0.00 C ATOM 569 NE1 TRP A 39 8.928 -11.049 -9.003 1.00 0.00 N ATOM 570 CE2 TRP A 39 8.458 -9.997 -8.244 1.00 0.00 C ATOM 571 CE3 TRP A 39 7.098 -9.781 -6.249 1.00 0.00 C ATOM 572 CZ2 TRP A 39 8.619 -8.604 -8.316 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.280 -8.388 -6.297 1.00 0.00 C ATOM 574 CH2 TRP A 39 8.021 -7.800 -7.334 1.00 0.00 C ATOM 0 H TRP A 39 9.008 -14.271 -5.753 1.00 0.00 H new ATOM 0 HA TRP A 39 7.427 -12.241 -4.744 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.195 -14.080 -7.110 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.922 -12.929 -6.754 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.818 -13.230 -8.861 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.495 -10.944 -9.845 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.496 -10.214 -5.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.194 -8.159 -9.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.846 -7.765 -5.529 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.131 -6.726 -7.376 1.00 0.00 H new ATOM 585 N LYS A 40 5.966 -15.237 -4.581 1.00 0.00 N ATOM 586 CA LYS A 40 4.880 -15.990 -3.961 1.00 0.00 C ATOM 587 C LYS A 40 4.901 -15.888 -2.438 1.00 0.00 C ATOM 588 O LYS A 40 3.841 -15.730 -1.839 1.00 0.00 O ATOM 589 CB LYS A 40 4.959 -17.453 -4.409 1.00 0.00 C ATOM 590 CG LYS A 40 3.925 -17.765 -5.495 1.00 0.00 C ATOM 591 CD LYS A 40 4.145 -19.188 -6.005 1.00 0.00 C ATOM 592 CE LYS A 40 2.862 -19.750 -6.615 1.00 0.00 C ATOM 593 NZ LYS A 40 3.061 -21.132 -7.096 1.00 0.00 N ATOM 0 H LYS A 40 6.591 -15.811 -5.147 1.00 0.00 H new ATOM 0 HA LYS A 40 3.935 -15.556 -4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.959 -17.665 -4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.796 -18.106 -3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.917 -17.662 -5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.016 -17.054 -6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.940 -19.193 -6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.473 -19.826 -5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.065 -19.732 -5.872 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.542 -19.117 -7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.174 -21.488 -7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.806 -21.143 -7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.344 -21.739 -6.300 1.00 0.00 H new ATOM 607 N GLU A 41 6.076 -16.008 -1.819 1.00 0.00 N ATOM 608 CA GLU A 41 6.261 -15.895 -0.372 1.00 0.00 C ATOM 609 C GLU A 41 5.799 -14.496 0.053 1.00 0.00 C ATOM 610 O GLU A 41 4.854 -14.336 0.825 1.00 0.00 O ATOM 611 CB GLU A 41 7.753 -16.157 -0.044 1.00 0.00 C ATOM 612 CG GLU A 41 8.059 -17.299 0.941 1.00 0.00 C ATOM 613 CD GLU A 41 7.746 -18.718 0.437 1.00 0.00 C ATOM 614 OE1 GLU A 41 7.002 -18.901 -0.554 1.00 0.00 O ATOM 615 OE2 GLU A 41 8.250 -19.722 0.996 1.00 0.00 O ATOM 0 H GLU A 41 6.945 -16.191 -2.321 1.00 0.00 H new ATOM 0 HA GLU A 41 5.672 -16.628 0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.274 -16.366 -0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.178 -15.238 0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.115 -17.252 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.493 -17.126 1.856 1.00 0.00 H new ATOM 622 N LEU A 42 6.439 -13.467 -0.510 1.00 0.00 N ATOM 623 CA LEU A 42 6.158 -12.076 -0.192 1.00 0.00 C ATOM 624 C LEU A 42 4.690 -11.738 -0.400 1.00 0.00 C ATOM 625 O LEU A 42 4.120 -11.046 0.434 1.00 0.00 O ATOM 626 CB LEU A 42 7.058 -11.149 -1.026 1.00 0.00 C ATOM 627 CG LEU A 42 8.506 -11.123 -0.505 1.00 0.00 C ATOM 628 CD1 LEU A 42 9.421 -10.444 -1.522 1.00 0.00 C ATOM 629 CD2 LEU A 42 8.631 -10.343 0.806 1.00 0.00 C ATOM 0 H LEU A 42 7.174 -13.585 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 42 6.378 -11.921 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.053 -11.479 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.650 -10.138 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 42 8.794 -12.161 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.442 -10.432 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.391 -10.994 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.084 -9.421 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.670 -10.351 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.308 -9.314 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.005 -10.808 1.567 1.00 0.00 H new ATOM 641 N LYS A 43 4.061 -12.211 -1.474 1.00 0.00 N ATOM 642 CA LYS A 43 2.652 -11.974 -1.738 1.00 0.00 C ATOM 643 C LYS A 43 1.740 -12.592 -0.681 1.00 0.00 C ATOM 644 O LYS A 43 0.759 -11.952 -0.305 1.00 0.00 O ATOM 645 CB LYS A 43 2.324 -12.540 -3.121 1.00 0.00 C ATOM 646 CG LYS A 43 2.727 -11.561 -4.232 1.00 0.00 C ATOM 647 CD LYS A 43 2.680 -12.254 -5.593 1.00 0.00 C ATOM 648 CE LYS A 43 2.801 -11.222 -6.709 1.00 0.00 C ATOM 649 NZ LYS A 43 1.485 -10.761 -7.206 1.00 0.00 N ATOM 0 H LYS A 43 4.523 -12.774 -2.189 1.00 0.00 H new ATOM 0 HA LYS A 43 2.471 -10.900 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.844 -13.488 -3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.256 -12.750 -3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.056 -10.702 -4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.731 -11.181 -4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.490 -12.980 -5.669 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.746 -12.806 -5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.368 -10.365 -6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.367 -11.652 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.625 -10.049 -7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.958 -11.569 -7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.946 -10.341 -6.422 1.00 0.00 H new ATOM 663 N GLU A 44 2.029 -13.803 -0.201 1.00 0.00 N ATOM 664 CA GLU A 44 1.189 -14.470 0.795 1.00 0.00 C ATOM 665 C GLU A 44 1.150 -13.635 2.082 1.00 0.00 C ATOM 666 O GLU A 44 0.141 -13.573 2.785 1.00 0.00 O ATOM 667 CB GLU A 44 1.742 -15.887 1.062 1.00 0.00 C ATOM 668 CG GLU A 44 0.668 -16.950 1.337 1.00 0.00 C ATOM 669 CD GLU A 44 -0.220 -16.680 2.553 1.00 0.00 C ATOM 670 OE1 GLU A 44 0.229 -16.892 3.710 1.00 0.00 O ATOM 671 OE2 GLU A 44 -1.389 -16.279 2.344 1.00 0.00 O ATOM 0 H GLU A 44 2.844 -14.345 -0.488 1.00 0.00 H new ATOM 0 HA GLU A 44 0.169 -14.563 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.333 -16.200 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.419 -15.844 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.033 -17.038 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.160 -17.913 1.473 1.00 0.00 H new ATOM 678 N GLN A 45 2.257 -12.967 2.400 1.00 0.00 N ATOM 679 CA GLN A 45 2.455 -12.245 3.648 1.00 0.00 C ATOM 680 C GLN A 45 1.999 -10.795 3.521 1.00 0.00 C ATOM 681 O GLN A 45 1.220 -10.305 4.339 1.00 0.00 O ATOM 682 CB GLN A 45 3.946 -12.330 3.981 1.00 0.00 C ATOM 683 CG GLN A 45 4.368 -13.778 4.270 1.00 0.00 C ATOM 684 CD GLN A 45 4.323 -14.089 5.755 1.00 0.00 C ATOM 685 OE1 GLN A 45 5.360 -14.019 6.405 1.00 0.00 O ATOM 686 NE2 GLN A 45 3.179 -14.423 6.330 1.00 0.00 N ATOM 0 H GLN A 45 3.062 -12.914 1.776 1.00 0.00 H new ATOM 0 HA GLN A 45 1.859 -12.686 4.447 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.530 -11.937 3.149 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.164 -11.705 4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.710 -14.463 3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.377 -13.945 3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.325 -14.476 5.774 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.151 -14.627 7.329 1.00 0.00 H new ATOM 695 N LEU A 46 2.510 -10.103 2.505 1.00 0.00 N ATOM 696 CA LEU A 46 2.340 -8.673 2.328 1.00 0.00 C ATOM 697 C LEU A 46 1.019 -8.328 1.635 1.00 0.00 C ATOM 698 O LEU A 46 0.697 -7.141 1.515 1.00 0.00 O ATOM 699 CB LEU A 46 3.516 -8.098 1.511 1.00 0.00 C ATOM 700 CG LEU A 46 4.922 -8.222 2.137 1.00 0.00 C ATOM 701 CD1 LEU A 46 5.971 -7.785 1.124 1.00 0.00 C ATOM 702 CD2 LEU A 46 5.044 -7.389 3.391 1.00 0.00 C ATOM 0 H LEU A 46 3.066 -10.536 1.768 1.00 0.00 H new ATOM 0 HA LEU A 46 2.321 -8.225 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.531 -8.594 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.318 -7.042 1.326 1.00 0.00 H new ATOM 0 HG LEU A 46 5.082 -9.265 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.963 -7.873 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.910 -8.420 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.792 -6.748 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.046 -7.500 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.865 -6.341 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.310 -7.724 4.123 1.00 0.00 H new ATOM 714 N GLY A 47 0.276 -9.326 1.155 1.00 0.00 N ATOM 715 CA GLY A 47 -0.863 -9.177 0.271 1.00 0.00 C ATOM 716 C GLY A 47 -0.386 -9.232 -1.179 1.00 0.00 C ATOM 717 O GLY A 47 0.702 -8.756 -1.514 1.00 0.00 O ATOM 0 H GLY A 47 0.467 -10.301 1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.589 -9.968 0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.367 -8.230 0.465 1.00 0.00 H new ATOM 721 N GLU A 48 -1.195 -9.823 -2.060 1.00 0.00 N ATOM 722 CA GLU A 48 -0.730 -10.218 -3.384 1.00 0.00 C ATOM 723 C GLU A 48 -0.372 -9.032 -4.274 1.00 0.00 C ATOM 724 O GLU A 48 0.464 -9.157 -5.169 1.00 0.00 O ATOM 725 CB GLU A 48 -1.772 -11.116 -4.070 1.00 0.00 C ATOM 726 CG GLU A 48 -1.206 -12.518 -4.266 1.00 0.00 C ATOM 727 CD GLU A 48 -2.156 -13.427 -5.027 1.00 0.00 C ATOM 728 OE1 GLU A 48 -3.125 -13.931 -4.408 1.00 0.00 O ATOM 729 OE2 GLU A 48 -1.932 -13.646 -6.239 1.00 0.00 O ATOM 0 H GLU A 48 -2.175 -10.037 -1.877 1.00 0.00 H new ATOM 0 HA GLU A 48 0.192 -10.780 -3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.678 -11.162 -3.466 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.053 -10.690 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.261 -12.453 -4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.988 -12.958 -3.293 1.00 0.00 H new ATOM 736 N GLU A 49 -0.973 -7.871 -4.033 1.00 0.00 N ATOM 737 CA GLU A 49 -0.785 -6.697 -4.869 1.00 0.00 C ATOM 738 C GLU A 49 0.466 -5.895 -4.499 1.00 0.00 C ATOM 739 O GLU A 49 0.630 -4.767 -4.986 1.00 0.00 O ATOM 740 CB GLU A 49 -2.050 -5.838 -4.822 1.00 0.00 C ATOM 741 CG GLU A 49 -3.179 -6.500 -5.611 1.00 0.00 C ATOM 742 CD GLU A 49 -4.429 -5.633 -5.599 1.00 0.00 C ATOM 743 OE1 GLU A 49 -4.942 -5.299 -4.506 1.00 0.00 O ATOM 744 OE2 GLU A 49 -4.920 -5.275 -6.694 1.00 0.00 O ATOM 0 H GLU A 49 -1.607 -7.721 -3.248 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.617 -7.032 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.359 -5.693 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.841 -4.851 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.859 -6.670 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.404 -7.476 -5.182 1.00 0.00 H new ATOM 751 N ILE A 50 1.349 -6.453 -3.668 1.00 0.00 N ATOM 752 CA ILE A 50 2.611 -5.831 -3.296 1.00 0.00 C ATOM 753 C ILE A 50 3.482 -5.527 -4.520 1.00 0.00 C ATOM 754 O ILE A 50 4.202 -4.530 -4.528 1.00 0.00 O ATOM 755 CB ILE A 50 3.338 -6.720 -2.267 1.00 0.00 C ATOM 756 CG1 ILE A 50 4.622 -6.037 -1.766 1.00 0.00 C ATOM 757 CG2 ILE A 50 3.685 -8.129 -2.789 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.361 -4.745 -0.987 1.00 0.00 C ATOM 0 H ILE A 50 1.201 -7.363 -3.231 1.00 0.00 H new ATOM 0 HA ILE A 50 2.404 -4.866 -2.833 1.00 0.00 H new ATOM 0 HB ILE A 50 2.630 -6.849 -1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.169 -6.732 -1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.263 -5.815 -2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.194 -8.692 -2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.769 -8.648 -3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.337 -8.045 -3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.310 -4.317 -0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.841 -4.033 -1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.746 -4.964 -0.114 1.00 0.00 H new ATOM 770 N ASP A 51 3.416 -6.368 -5.553 1.00 0.00 N ATOM 771 CA ASP A 51 4.318 -6.366 -6.707 1.00 0.00 C ATOM 772 C ASP A 51 4.531 -4.977 -7.318 1.00 0.00 C ATOM 773 O ASP A 51 5.678 -4.567 -7.502 1.00 0.00 O ATOM 774 CB ASP A 51 3.921 -7.433 -7.749 1.00 0.00 C ATOM 775 CG ASP A 51 2.464 -7.404 -8.224 1.00 0.00 C ATOM 776 OD1 ASP A 51 1.767 -6.383 -8.046 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.964 -8.460 -8.682 1.00 0.00 O ATOM 0 H ASP A 51 2.706 -7.098 -5.612 1.00 0.00 H new ATOM 0 HA ASP A 51 5.298 -6.651 -6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.568 -7.320 -8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.124 -8.417 -7.327 1.00 0.00 H new ATOM 782 N SER A 52 3.472 -4.205 -7.548 1.00 0.00 N ATOM 783 CA SER A 52 3.560 -2.875 -8.148 1.00 0.00 C ATOM 784 C SER A 52 4.353 -1.873 -7.309 1.00 0.00 C ATOM 785 O SER A 52 4.750 -0.836 -7.835 1.00 0.00 O ATOM 786 CB SER A 52 2.165 -2.325 -8.415 1.00 0.00 C ATOM 787 OG SER A 52 1.729 -2.635 -9.725 1.00 0.00 O ATOM 0 H SER A 52 2.519 -4.487 -7.321 1.00 0.00 H new ATOM 0 HA SER A 52 4.105 -3.002 -9.083 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.464 -2.738 -7.690 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.166 -1.244 -8.277 1.00 0.00 H new ATOM 0 HG SER A 52 0.830 -2.270 -9.866 1.00 0.00 H new ATOM 793 N LYS A 53 4.572 -2.134 -6.022 1.00 0.00 N ATOM 794 CA LYS A 53 5.194 -1.186 -5.106 1.00 0.00 C ATOM 795 C LYS A 53 6.702 -1.437 -5.010 1.00 0.00 C ATOM 796 O LYS A 53 7.382 -0.702 -4.288 1.00 0.00 O ATOM 797 CB LYS A 53 4.505 -1.259 -3.731 1.00 0.00 C ATOM 798 CG LYS A 53 3.057 -0.739 -3.668 1.00 0.00 C ATOM 799 CD LYS A 53 2.046 -1.590 -4.443 1.00 0.00 C ATOM 800 CE LYS A 53 0.612 -1.290 -4.019 1.00 0.00 C ATOM 801 NZ LYS A 53 -0.337 -2.071 -4.835 1.00 0.00 N ATOM 0 H LYS A 53 4.319 -3.019 -5.583 1.00 0.00 H new ATOM 0 HA LYS A 53 5.065 -0.174 -5.490 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.511 -2.297 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.104 -0.693 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.747 -0.688 -2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.032 0.279 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.156 -1.403 -5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.260 -2.646 -4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.479 -1.531 -2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.408 -0.225 -4.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.278 -2.046 -4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.392 -1.662 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.011 -3.056 -4.899 1.00 0.00 H new ATOM 815 N VAL A 54 7.246 -2.445 -5.694 1.00 0.00 N ATOM 816 CA VAL A 54 8.660 -2.803 -5.622 1.00 0.00 C ATOM 817 C VAL A 54 9.394 -2.186 -6.820 1.00 0.00 C ATOM 818 O VAL A 54 8.807 -1.956 -7.882 1.00 0.00 O ATOM 819 CB VAL A 54 8.786 -4.341 -5.555 1.00 0.00 C ATOM 820 CG1 VAL A 54 10.233 -4.813 -5.344 1.00 0.00 C ATOM 821 CG2 VAL A 54 7.950 -4.916 -4.399 1.00 0.00 C ATOM 0 H VAL A 54 6.708 -3.043 -6.321 1.00 0.00 H new ATOM 0 HA VAL A 54 9.127 -2.404 -4.722 1.00 0.00 H new ATOM 0 HB VAL A 54 8.425 -4.700 -6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.258 -5.902 -5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.853 -4.465 -6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.615 -4.408 -4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.058 -6.000 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.298 -4.497 -3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.901 -4.659 -4.546 1.00 0.00 H new ATOM 831 N LYS A 55 10.689 -1.903 -6.645 1.00 0.00 N ATOM 832 CA LYS A 55 11.602 -1.489 -7.710 1.00 0.00 C ATOM 833 C LYS A 55 12.020 -2.708 -8.542 1.00 0.00 C ATOM 834 O LYS A 55 11.383 -3.762 -8.494 1.00 0.00 O ATOM 835 CB LYS A 55 12.809 -0.781 -7.064 1.00 0.00 C ATOM 836 CG LYS A 55 12.436 0.563 -6.412 1.00 0.00 C ATOM 837 CD LYS A 55 12.213 1.695 -7.433 1.00 0.00 C ATOM 838 CE LYS A 55 13.519 2.037 -8.168 1.00 0.00 C ATOM 839 NZ LYS A 55 13.388 2.006 -9.634 1.00 0.00 N ATOM 0 H LYS A 55 11.141 -1.958 -5.732 1.00 0.00 H new ATOM 0 HA LYS A 55 11.116 -0.792 -8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.247 -1.435 -6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.573 -0.612 -7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.530 0.433 -5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.227 0.856 -5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.453 1.395 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.836 2.581 -6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.852 3.029 -7.861 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.294 1.333 -7.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.302 2.245 -10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.099 1.054 -9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.671 2.697 -9.933 1.00 0.00 H new ATOM 853 N GLY A 56 13.081 -2.578 -9.333 1.00 0.00 N ATOM 854 CA GLY A 56 13.732 -3.694 -9.982 1.00 0.00 C ATOM 855 C GLY A 56 14.385 -4.578 -8.928 1.00 0.00 C ATOM 856 O GLY A 56 15.509 -4.317 -8.517 1.00 0.00 O ATOM 0 H GLY A 56 13.513 -1.678 -9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.006 -4.269 -10.557 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.482 -3.333 -10.686 1.00 0.00 H new ATOM 860 N MET A 57 13.676 -5.606 -8.462 1.00 0.00 N ATOM 861 CA MET A 57 14.275 -6.700 -7.697 1.00 0.00 C ATOM 862 C MET A 57 15.389 -7.349 -8.535 1.00 0.00 C ATOM 863 O MET A 57 15.228 -7.443 -9.761 1.00 0.00 O ATOM 864 CB MET A 57 13.172 -7.709 -7.307 1.00 0.00 C ATOM 865 CG MET A 57 13.742 -8.889 -6.504 1.00 0.00 C ATOM 866 SD MET A 57 12.617 -9.919 -5.513 1.00 0.00 S ATOM 867 CE MET A 57 11.156 -9.967 -6.558 1.00 0.00 C ATOM 0 H MET A 57 12.671 -5.704 -8.604 1.00 0.00 H new ATOM 0 HA MET A 57 14.726 -6.330 -6.776 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.407 -7.203 -6.718 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.685 -8.083 -8.208 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.254 -9.546 -7.207 1.00 0.00 H new ATOM 0 HG3 MET A 57 14.500 -8.490 -5.830 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.589 -10.875 -6.350 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.534 -9.096 -6.354 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.457 -9.960 -7.605 1.00 0.00 H new ATOM 877 N VAL A 58 16.475 -7.801 -7.897 1.00 0.00 N ATOM 878 CA VAL A 58 17.644 -8.396 -8.538 1.00 0.00 C ATOM 879 C VAL A 58 18.133 -9.621 -7.756 1.00 0.00 C ATOM 880 O VAL A 58 17.969 -9.715 -6.537 1.00 0.00 O ATOM 881 CB VAL A 58 18.774 -7.351 -8.700 1.00 0.00 C ATOM 882 CG1 VAL A 58 18.421 -6.314 -9.765 1.00 0.00 C ATOM 883 CG2 VAL A 58 19.149 -6.615 -7.411 1.00 0.00 C ATOM 0 H VAL A 58 16.563 -7.759 -6.882 1.00 0.00 H new ATOM 0 HA VAL A 58 17.351 -8.731 -9.533 1.00 0.00 H new ATOM 0 HB VAL A 58 19.642 -7.938 -9.002 1.00 0.00 H new ATOM 0 HG11 VAL A 58 19.234 -5.594 -9.855 1.00 0.00 H new ATOM 0 HG12 VAL A 58 18.270 -6.813 -10.722 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.507 -5.795 -9.478 1.00 0.00 H new ATOM 0 HG21 VAL A 58 19.948 -5.903 -7.618 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.278 -6.082 -7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.489 -7.335 -6.666 1.00 0.00 H new ATOM 893 N PHE A 59 18.753 -10.571 -8.457 1.00 0.00 N ATOM 894 CA PHE A 59 19.313 -11.766 -7.839 1.00 0.00 C ATOM 895 C PHE A 59 20.605 -11.469 -7.072 1.00 0.00 C ATOM 896 O PHE A 59 21.267 -10.441 -7.244 1.00 0.00 O ATOM 897 CB PHE A 59 19.529 -12.864 -8.895 1.00 0.00 C ATOM 898 CG PHE A 59 18.338 -13.787 -9.037 1.00 0.00 C ATOM 899 CD1 PHE A 59 18.200 -14.887 -8.168 1.00 0.00 C ATOM 900 CD2 PHE A 59 17.362 -13.551 -10.021 1.00 0.00 C ATOM 901 CE1 PHE A 59 17.102 -15.753 -8.297 1.00 0.00 C ATOM 902 CE2 PHE A 59 16.264 -14.417 -10.143 1.00 0.00 C ATOM 903 CZ PHE A 59 16.131 -15.523 -9.285 1.00 0.00 C ATOM 0 H PHE A 59 18.879 -10.531 -9.468 1.00 0.00 H new ATOM 0 HA PHE A 59 18.592 -12.127 -7.106 1.00 0.00 H new ATOM 0 HB2 PHE A 59 19.738 -12.399 -9.858 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.407 -13.451 -8.627 1.00 0.00 H new ATOM 0 HD1 PHE A 59 18.940 -15.065 -7.401 1.00 0.00 H new ATOM 0 HD2 PHE A 59 17.457 -12.703 -10.683 1.00 0.00 H new ATOM 0 HE1 PHE A 59 17.004 -16.599 -7.633 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.517 -14.233 -10.901 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.288 -16.191 -9.385 1.00 0.00 H new ATOM 913 N LEU A 60 20.990 -12.440 -6.246 1.00 0.00 N ATOM 914 CA LEU A 60 22.207 -12.471 -5.441 1.00 0.00 C ATOM 915 C LEU A 60 23.059 -13.675 -5.844 1.00 0.00 C ATOM 916 O LEU A 60 22.553 -14.611 -6.475 1.00 0.00 O ATOM 917 CB LEU A 60 21.804 -12.596 -3.961 1.00 0.00 C ATOM 918 CG LEU A 60 21.135 -11.341 -3.384 1.00 0.00 C ATOM 919 CD1 LEU A 60 20.632 -11.661 -1.982 1.00 0.00 C ATOM 920 CD2 LEU A 60 22.112 -10.171 -3.290 1.00 0.00 C ATOM 0 H LEU A 60 20.424 -13.278 -6.114 1.00 0.00 H new ATOM 0 HA LEU A 60 22.785 -11.561 -5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 60 21.123 -13.440 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 60 22.692 -12.824 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 60 20.319 -11.055 -4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 60 20.153 -10.779 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 60 19.911 -12.477 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.472 -11.957 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.600 -9.302 -2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.945 -10.444 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 60 22.489 -9.931 -4.284 1.00 0.00 H new ATOM 932 N LYS A 61 24.317 -13.716 -5.397 1.00 0.00 N ATOM 933 CA LYS A 61 25.165 -14.902 -5.500 1.00 0.00 C ATOM 934 C LYS A 61 24.550 -16.065 -4.718 1.00 0.00 C ATOM 935 O LYS A 61 23.988 -15.873 -3.635 1.00 0.00 O ATOM 936 CB LYS A 61 26.572 -14.549 -4.991 1.00 0.00 C ATOM 937 CG LYS A 61 27.586 -15.686 -5.191 1.00 0.00 C ATOM 938 CD LYS A 61 28.931 -15.336 -4.545 1.00 0.00 C ATOM 939 CE LYS A 61 29.806 -16.591 -4.471 1.00 0.00 C ATOM 940 NZ LYS A 61 31.166 -16.291 -3.976 1.00 0.00 N ATOM 0 H LYS A 61 24.776 -12.922 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 61 25.241 -15.222 -6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 61 26.927 -13.658 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 61 26.517 -14.301 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.197 -16.607 -4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 61 27.726 -15.871 -6.256 1.00 0.00 H new ATOM 0 HD2 LYS A 61 29.435 -14.563 -5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 61 28.772 -14.932 -3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 61 29.335 -17.323 -3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 61 29.872 -17.045 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 31.724 -17.168 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 31.626 -15.612 -4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 31.106 -15.881 -3.022 1.00 0.00 H new ATOM 954 N GLY A 62 24.685 -17.279 -5.252 1.00 0.00 N ATOM 955 CA GLY A 62 24.178 -18.516 -4.677 1.00 0.00 C ATOM 956 C GLY A 62 22.971 -19.015 -5.460 1.00 0.00 C ATOM 957 O GLY A 62 22.871 -20.209 -5.719 1.00 0.00 O ATOM 0 H GLY A 62 25.172 -17.429 -6.135 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.961 -19.274 -4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 62 23.901 -18.353 -3.636 1.00 0.00 H new ATOM 961 N LYS A 63 22.090 -18.106 -5.887 1.00 0.00 N ATOM 962 CA LYS A 63 20.747 -18.346 -6.438 1.00 0.00 C ATOM 963 C LYS A 63 19.766 -18.818 -5.359 1.00 0.00 C ATOM 964 O LYS A 63 18.707 -19.343 -5.684 1.00 0.00 O ATOM 965 CB LYS A 63 20.768 -19.208 -7.714 1.00 0.00 C ATOM 966 CG LYS A 63 21.858 -18.713 -8.676 1.00 0.00 C ATOM 967 CD LYS A 63 21.664 -19.215 -10.103 1.00 0.00 C ATOM 968 CE LYS A 63 22.832 -18.697 -10.939 1.00 0.00 C ATOM 969 NZ LYS A 63 22.624 -18.907 -12.381 1.00 0.00 N ATOM 0 H LYS A 63 22.309 -17.110 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 63 20.357 -17.387 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.950 -20.251 -7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 63 19.795 -19.167 -8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 63 21.866 -17.623 -8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 63 22.832 -19.038 -8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.632 -20.304 -10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.716 -18.860 -10.508 1.00 0.00 H new ATOM 0 HE2 LYS A 63 22.971 -17.633 -10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 63 23.748 -19.200 -10.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.443 -18.540 -12.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.518 -19.924 -12.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.764 -18.406 -12.684 1.00 0.00 H new ATOM 983 N LEU A 64 20.110 -18.612 -4.086 1.00 0.00 N ATOM 984 CA LEU A 64 19.411 -18.993 -2.848 1.00 0.00 C ATOM 985 C LEU A 64 19.052 -17.706 -2.090 1.00 0.00 C ATOM 986 O LEU A 64 18.876 -17.691 -0.875 1.00 0.00 O ATOM 987 CB LEU A 64 20.338 -19.915 -2.021 1.00 0.00 C ATOM 988 CG LEU A 64 20.476 -21.406 -2.422 1.00 0.00 C ATOM 989 CD1 LEU A 64 19.569 -22.281 -1.558 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.295 -21.696 -3.898 1.00 0.00 C ATOM 0 H LEU A 64 20.978 -18.122 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 64 18.491 -19.541 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.336 -19.477 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 64 19.994 -19.884 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 64 21.517 -21.663 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 64 19.680 -23.324 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 64 19.847 -22.170 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 64 18.532 -21.974 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.410 -22.765 -4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 64 19.299 -21.381 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 64 21.045 -21.150 -4.471 1.00 0.00 H new ATOM 1002 N GLY A 65 18.932 -16.587 -2.797 1.00 0.00 N ATOM 1003 CA GLY A 65 18.480 -15.335 -2.231 1.00 0.00 C ATOM 1004 C GLY A 65 18.264 -14.300 -3.323 1.00 0.00 C ATOM 1005 O GLY A 65 18.734 -14.454 -4.457 1.00 0.00 O ATOM 0 H GLY A 65 19.151 -16.531 -3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.551 -15.492 -1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.215 -14.967 -1.515 1.00 0.00 H new ATOM 1009 N VAL A 66 17.584 -13.222 -2.964 1.00 0.00 N ATOM 1010 CA VAL A 66 17.274 -12.102 -3.836 1.00 0.00 C ATOM 1011 C VAL A 66 17.330 -10.835 -2.969 1.00 0.00 C ATOM 1012 O VAL A 66 17.307 -10.920 -1.735 1.00 0.00 O ATOM 1013 CB VAL A 66 15.914 -12.406 -4.511 1.00 0.00 C ATOM 1014 CG1 VAL A 66 14.717 -12.282 -3.553 1.00 0.00 C ATOM 1015 CG2 VAL A 66 15.674 -11.597 -5.777 1.00 0.00 C ATOM 0 H VAL A 66 17.219 -13.100 -2.019 1.00 0.00 H new ATOM 0 HA VAL A 66 17.978 -11.942 -4.652 1.00 0.00 H new ATOM 0 HB VAL A 66 15.989 -13.453 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.796 -12.508 -4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.837 -12.984 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.668 -11.266 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.704 -11.860 -6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.690 -10.534 -5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 66 16.456 -11.817 -6.503 1.00 0.00 H new ATOM 1025 N CYS A 67 17.421 -9.660 -3.582 1.00 0.00 N ATOM 1026 CA CYS A 67 17.335 -8.379 -2.898 1.00 0.00 C ATOM 1027 C CYS A 67 16.544 -7.409 -3.778 1.00 0.00 C ATOM 1028 O CYS A 67 16.466 -7.594 -4.994 1.00 0.00 O ATOM 1029 CB CYS A 67 18.749 -7.879 -2.578 1.00 0.00 C ATOM 1030 SG CYS A 67 19.803 -7.839 -4.049 1.00 0.00 S ATOM 0 H CYS A 67 17.559 -9.572 -4.589 1.00 0.00 H new ATOM 0 HA CYS A 67 16.808 -8.469 -1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 67 18.691 -6.880 -2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 67 19.201 -8.526 -1.826 1.00 0.00 H new ATOM 0 HG CYS A 67 20.985 -7.408 -3.724 1.00 0.00 H new ATOM 1036 N PHE A 68 15.931 -6.389 -3.183 1.00 0.00 N ATOM 1037 CA PHE A 68 15.180 -5.371 -3.909 1.00 0.00 C ATOM 1038 C PHE A 68 15.232 -4.075 -3.123 1.00 0.00 C ATOM 1039 O PHE A 68 15.334 -4.109 -1.897 1.00 0.00 O ATOM 1040 CB PHE A 68 13.718 -5.805 -4.118 1.00 0.00 C ATOM 1041 CG PHE A 68 13.001 -6.267 -2.863 1.00 0.00 C ATOM 1042 CD1 PHE A 68 12.442 -5.334 -1.972 1.00 0.00 C ATOM 1043 CD2 PHE A 68 12.934 -7.640 -2.569 1.00 0.00 C ATOM 1044 CE1 PHE A 68 11.874 -5.766 -0.761 1.00 0.00 C ATOM 1045 CE2 PHE A 68 12.361 -8.073 -1.361 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.849 -7.137 -0.445 1.00 0.00 C ATOM 0 H PHE A 68 15.942 -6.245 -2.173 1.00 0.00 H new ATOM 0 HA PHE A 68 15.628 -5.231 -4.893 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.165 -4.970 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.695 -6.613 -4.850 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.449 -4.283 -2.219 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.323 -8.362 -3.272 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.457 -5.046 -0.073 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.314 -9.128 -1.135 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.438 -7.469 0.497 1.00 0.00 H new ATOM 1056 N ASP A 69 15.091 -2.949 -3.816 1.00 0.00 N ATOM 1057 CA ASP A 69 14.839 -1.658 -3.193 1.00 0.00 C ATOM 1058 C ASP A 69 13.334 -1.476 -3.020 1.00 0.00 C ATOM 1059 O ASP A 69 12.534 -1.870 -3.881 1.00 0.00 O ATOM 1060 CB ASP A 69 15.344 -0.511 -4.073 1.00 0.00 C ATOM 1061 CG ASP A 69 16.854 -0.311 -4.106 1.00 0.00 C ATOM 1062 OD1 ASP A 69 17.526 -0.441 -3.058 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.320 0.122 -5.189 1.00 0.00 O ATOM 0 H ASP A 69 15.149 -2.909 -4.834 1.00 0.00 H new ATOM 0 HA ASP A 69 15.360 -1.638 -2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.997 -0.681 -5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 69 14.882 0.415 -3.730 1.00 0.00 H new ATOM 1068 N VAL A 70 12.955 -0.779 -1.955 1.00 0.00 N ATOM 1069 CA VAL A 70 11.633 -0.200 -1.741 1.00 0.00 C ATOM 1070 C VAL A 70 11.829 1.162 -1.054 1.00 0.00 C ATOM 1071 O VAL A 70 12.874 1.381 -0.436 1.00 0.00 O ATOM 1072 CB VAL A 70 10.737 -1.147 -0.906 1.00 0.00 C ATOM 1073 CG1 VAL A 70 9.961 -2.125 -1.802 1.00 0.00 C ATOM 1074 CG2 VAL A 70 11.524 -1.948 0.139 1.00 0.00 C ATOM 0 H VAL A 70 13.591 -0.593 -1.180 1.00 0.00 H new ATOM 0 HA VAL A 70 11.118 -0.061 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 70 10.038 -0.496 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.343 -2.774 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.325 -1.564 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.664 -2.731 -2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.842 -2.593 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.276 -2.559 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.015 -1.262 0.829 1.00 0.00 H new ATOM 1084 N PRO A 71 10.875 2.102 -1.168 1.00 0.00 N ATOM 1085 CA PRO A 71 10.952 3.384 -0.481 1.00 0.00 C ATOM 1086 C PRO A 71 10.970 3.158 1.024 1.00 0.00 C ATOM 1087 O PRO A 71 10.150 2.390 1.527 1.00 0.00 O ATOM 1088 CB PRO A 71 9.706 4.169 -0.897 1.00 0.00 C ATOM 1089 CG PRO A 71 8.739 3.110 -1.414 1.00 0.00 C ATOM 1090 CD PRO A 71 9.660 2.022 -1.958 1.00 0.00 C ATOM 0 HA PRO A 71 11.858 3.931 -0.741 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.282 4.715 -0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.939 4.903 -1.668 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.096 2.731 -0.619 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.086 3.508 -2.190 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.199 1.038 -1.868 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.870 2.180 -3.016 1.00 0.00 H new ATOM 1098 N THR A 72 11.831 3.876 1.744 1.00 0.00 N ATOM 1099 CA THR A 72 11.926 3.860 3.200 1.00 0.00 C ATOM 1100 C THR A 72 10.549 3.999 3.856 1.00 0.00 C ATOM 1101 O THR A 72 10.239 3.278 4.801 1.00 0.00 O ATOM 1102 CB THR A 72 12.865 4.990 3.635 1.00 0.00 C ATOM 1103 OG1 THR A 72 14.033 4.979 2.845 1.00 0.00 O ATOM 1104 CG2 THR A 72 13.230 4.918 5.106 1.00 0.00 C ATOM 0 H THR A 72 12.506 4.507 1.312 1.00 0.00 H new ATOM 0 HA THR A 72 12.328 2.901 3.526 1.00 0.00 H new ATOM 0 HB THR A 72 12.327 5.926 3.487 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.330 5.899 2.688 1.00 0.00 H new ATOM 0 HG21 THR A 72 13.897 5.743 5.356 1.00 0.00 H new ATOM 0 HG22 THR A 72 12.325 4.987 5.709 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.731 3.972 5.311 1.00 0.00 H new ATOM 1112 N ALA A 73 9.686 4.860 3.303 1.00 0.00 N ATOM 1113 CA ALA A 73 8.351 5.082 3.828 1.00 0.00 C ATOM 1114 C ALA A 73 7.513 3.793 3.867 1.00 0.00 C ATOM 1115 O ALA A 73 6.610 3.679 4.698 1.00 0.00 O ATOM 1116 CB ALA A 73 7.669 6.173 3.002 1.00 0.00 C ATOM 0 H ALA A 73 9.903 5.419 2.478 1.00 0.00 H new ATOM 0 HA ALA A 73 8.435 5.410 4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.665 6.348 3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.248 7.094 3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.607 5.856 1.961 1.00 0.00 H new ATOM 1122 N SER A 74 7.797 2.818 2.993 1.00 0.00 N ATOM 1123 CA SER A 74 7.117 1.528 2.964 1.00 0.00 C ATOM 1124 C SER A 74 7.962 0.388 3.563 1.00 0.00 C ATOM 1125 O SER A 74 7.381 -0.612 3.984 1.00 0.00 O ATOM 1126 CB SER A 74 6.685 1.237 1.522 1.00 0.00 C ATOM 1127 OG SER A 74 5.602 0.324 1.482 1.00 0.00 O ATOM 0 H SER A 74 8.518 2.911 2.277 1.00 0.00 H new ATOM 0 HA SER A 74 6.236 1.583 3.603 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.397 2.167 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.527 0.830 0.963 1.00 0.00 H new ATOM 0 HG SER A 74 5.348 0.159 0.550 1.00 0.00 H new ATOM 1133 N VAL A 75 9.292 0.526 3.656 1.00 0.00 N ATOM 1134 CA VAL A 75 10.219 -0.466 4.223 1.00 0.00 C ATOM 1135 C VAL A 75 9.681 -1.005 5.545 1.00 0.00 C ATOM 1136 O VAL A 75 9.442 -2.209 5.656 1.00 0.00 O ATOM 1137 CB VAL A 75 11.632 0.141 4.343 1.00 0.00 C ATOM 1138 CG1 VAL A 75 12.595 -0.634 5.246 1.00 0.00 C ATOM 1139 CG2 VAL A 75 12.295 0.210 2.959 1.00 0.00 C ATOM 0 H VAL A 75 9.771 1.364 3.326 1.00 0.00 H new ATOM 0 HA VAL A 75 10.299 -1.322 3.553 1.00 0.00 H new ATOM 0 HB VAL A 75 11.466 1.122 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.561 -0.129 5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.189 -0.680 6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.722 -1.645 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.292 0.640 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.371 -0.794 2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.693 0.833 2.298 1.00 0.00 H new ATOM 1149 N THR A 76 9.447 -0.131 6.522 1.00 0.00 N ATOM 1150 CA THR A 76 9.070 -0.561 7.856 1.00 0.00 C ATOM 1151 C THR A 76 7.751 -1.334 7.851 1.00 0.00 C ATOM 1152 O THR A 76 7.616 -2.313 8.589 1.00 0.00 O ATOM 1153 CB THR A 76 8.981 0.674 8.761 1.00 0.00 C ATOM 1154 OG1 THR A 76 10.076 1.543 8.537 1.00 0.00 O ATOM 1155 CG2 THR A 76 8.941 0.307 10.243 1.00 0.00 C ATOM 0 H THR A 76 9.514 0.881 6.409 1.00 0.00 H new ATOM 0 HA THR A 76 9.828 -1.245 8.237 1.00 0.00 H new ATOM 0 HB THR A 76 8.048 1.174 8.504 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.999 2.325 9.123 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.878 1.216 10.841 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.070 -0.318 10.440 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.846 -0.239 10.507 1.00 0.00 H new ATOM 1163 N GLU A 77 6.803 -0.940 6.991 1.00 0.00 N ATOM 1164 CA GLU A 77 5.536 -1.636 6.830 1.00 0.00 C ATOM 1165 C GLU A 77 5.824 -3.094 6.494 1.00 0.00 C ATOM 1166 O GLU A 77 5.373 -3.987 7.196 1.00 0.00 O ATOM 1167 CB GLU A 77 4.638 -1.006 5.775 1.00 0.00 C ATOM 1168 CG GLU A 77 4.497 0.522 5.809 1.00 0.00 C ATOM 1169 CD GLU A 77 3.825 1.054 7.076 1.00 0.00 C ATOM 1170 OE1 GLU A 77 2.867 0.424 7.588 1.00 0.00 O ATOM 1171 OE2 GLU A 77 4.201 2.154 7.540 1.00 0.00 O ATOM 0 H GLU A 77 6.902 -0.124 6.387 1.00 0.00 H new ATOM 0 HA GLU A 77 4.987 -1.561 7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.016 -1.290 4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.643 -1.441 5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.486 0.971 5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.921 0.843 4.941 1.00 0.00 H new ATOM 1178 N ILE A 78 6.609 -3.337 5.446 1.00 0.00 N ATOM 1179 CA ILE A 78 6.887 -4.657 4.890 1.00 0.00 C ATOM 1180 C ILE A 78 7.520 -5.588 5.928 1.00 0.00 C ATOM 1181 O ILE A 78 7.322 -6.799 5.847 1.00 0.00 O ATOM 1182 CB ILE A 78 7.809 -4.455 3.663 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.109 -3.683 2.523 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.363 -5.758 3.090 1.00 0.00 C ATOM 1185 CD1 ILE A 78 8.114 -2.850 1.719 1.00 0.00 C ATOM 0 H ILE A 78 7.087 -2.590 4.942 1.00 0.00 H new ATOM 0 HA ILE A 78 5.959 -5.142 4.588 1.00 0.00 H new ATOM 0 HB ILE A 78 8.641 -3.868 4.052 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.603 -4.386 1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.342 -3.030 2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.000 -5.537 2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.947 -6.272 3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.538 -6.396 2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.592 -2.318 0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.600 -2.131 2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.865 -3.508 1.283 1.00 0.00 H new ATOM 1197 N GLN A 79 8.288 -5.052 6.874 1.00 0.00 N ATOM 1198 CA GLN A 79 8.884 -5.843 7.941 1.00 0.00 C ATOM 1199 C GLN A 79 7.810 -6.275 8.952 1.00 0.00 C ATOM 1200 O GLN A 79 7.819 -7.409 9.424 1.00 0.00 O ATOM 1201 CB GLN A 79 10.011 -5.033 8.585 1.00 0.00 C ATOM 1202 CG GLN A 79 11.102 -4.710 7.549 1.00 0.00 C ATOM 1203 CD GLN A 79 12.438 -4.470 8.226 1.00 0.00 C ATOM 1204 OE1 GLN A 79 12.601 -3.560 9.034 1.00 0.00 O ATOM 1205 NE2 GLN A 79 13.427 -5.284 7.909 1.00 0.00 N ATOM 0 H GLN A 79 8.513 -4.058 6.920 1.00 0.00 H new ATOM 0 HA GLN A 79 9.315 -6.761 7.540 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.611 -4.108 9.001 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.443 -5.594 9.414 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.192 -5.534 6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.816 -3.827 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.274 -6.035 7.236 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.345 -5.162 8.337 1.00 0.00 H new ATOM 1214 N GLU A 80 6.859 -5.385 9.248 1.00 0.00 N ATOM 1215 CA GLU A 80 5.758 -5.611 10.182 1.00 0.00 C ATOM 1216 C GLU A 80 4.702 -6.540 9.560 1.00 0.00 C ATOM 1217 O GLU A 80 4.139 -7.404 10.229 1.00 0.00 O ATOM 1218 CB GLU A 80 5.158 -4.234 10.556 1.00 0.00 C ATOM 1219 CG GLU A 80 5.086 -3.972 12.068 1.00 0.00 C ATOM 1220 CD GLU A 80 3.699 -4.258 12.641 1.00 0.00 C ATOM 1221 OE1 GLU A 80 3.430 -5.413 13.048 1.00 0.00 O ATOM 1222 OE2 GLU A 80 2.866 -3.319 12.676 1.00 0.00 O ATOM 0 H GLU A 80 6.836 -4.456 8.828 1.00 0.00 H new ATOM 0 HA GLU A 80 6.119 -6.106 11.084 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.756 -3.450 10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.154 -4.161 10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.822 -4.594 12.578 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.352 -2.934 12.268 1.00 0.00 H new ATOM 1229 N LYS A 81 4.432 -6.379 8.259 1.00 0.00 N ATOM 1230 CA LYS A 81 3.458 -7.165 7.501 1.00 0.00 C ATOM 1231 C LYS A 81 4.047 -8.432 6.891 1.00 0.00 C ATOM 1232 O LYS A 81 3.411 -9.094 6.078 1.00 0.00 O ATOM 1233 CB LYS A 81 2.638 -6.273 6.569 1.00 0.00 C ATOM 1234 CG LYS A 81 3.320 -5.441 5.502 1.00 0.00 C ATOM 1235 CD LYS A 81 2.553 -5.338 4.176 1.00 0.00 C ATOM 1236 CE LYS A 81 1.218 -4.585 4.281 1.00 0.00 C ATOM 1237 NZ LYS A 81 0.119 -5.298 3.587 1.00 0.00 N ATOM 0 H LYS A 81 4.902 -5.675 7.689 1.00 0.00 H new ATOM 0 HA LYS A 81 2.727 -7.575 8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.916 -6.914 6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.070 -5.587 7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.479 -4.436 5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.304 -5.866 5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.184 -4.837 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.362 -6.343 3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.958 -4.454 5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.330 -3.589 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.521 -4.606 3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.517 -5.917 2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.411 -5.872 4.274 1.00 0.00 H new ATOM 1251 N TRP A 82 5.255 -8.775 7.312 1.00 0.00 N ATOM 1252 CA TRP A 82 5.877 -10.078 7.138 1.00 0.00 C ATOM 1253 C TRP A 82 5.950 -10.815 8.472 1.00 0.00 C ATOM 1254 O TRP A 82 5.956 -10.196 9.537 1.00 0.00 O ATOM 1255 CB TRP A 82 7.269 -9.858 6.563 1.00 0.00 C ATOM 1256 CG TRP A 82 8.153 -11.058 6.464 1.00 0.00 C ATOM 1257 CD1 TRP A 82 9.068 -11.418 7.391 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.277 -12.024 5.381 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.749 -12.535 6.960 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.307 -12.949 5.718 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.672 -12.173 4.116 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.727 -13.950 4.826 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 8.080 -13.179 3.220 1.00 0.00 C ATOM 1264 CH2 TRP A 82 9.126 -14.052 3.558 1.00 0.00 C ATOM 0 H TRP A 82 5.858 -8.119 7.809 1.00 0.00 H new ATOM 0 HA TRP A 82 5.287 -10.693 6.458 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.161 -9.432 5.566 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.776 -9.112 7.175 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.239 -10.908 8.327 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.487 -12.998 7.491 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.878 -11.500 3.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.508 -14.638 5.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.585 -13.280 2.266 1.00 0.00 H new ATOM 0 HH2 TRP A 82 9.466 -14.795 2.852 1.00 0.00 H new ATOM 1275 N HIS A 83 6.062 -12.143 8.430 1.00 0.00 N ATOM 1276 CA HIS A 83 6.168 -13.028 9.574 1.00 0.00 C ATOM 1277 C HIS A 83 7.278 -14.049 9.270 1.00 0.00 C ATOM 1278 O HIS A 83 7.065 -15.011 8.528 1.00 0.00 O ATOM 1279 CB HIS A 83 4.810 -13.706 9.834 1.00 0.00 C ATOM 1280 CG HIS A 83 3.632 -12.795 10.098 1.00 0.00 C ATOM 1281 ND1 HIS A 83 3.668 -11.474 10.492 1.00 0.00 N ATOM 1282 CD2 HIS A 83 2.314 -13.154 9.995 1.00 0.00 C ATOM 1283 CE1 HIS A 83 2.407 -11.045 10.617 1.00 0.00 C ATOM 1284 NE2 HIS A 83 1.540 -12.038 10.335 1.00 0.00 N ATOM 0 H HIS A 83 6.082 -12.651 7.545 1.00 0.00 H new ATOM 0 HA HIS A 83 6.427 -12.481 10.480 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.571 -14.329 8.972 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.922 -14.373 10.689 1.00 0.00 H new ATOM 0 HD1 HIS A 83 4.509 -10.921 10.659 1.00 0.00 H new ATOM 0 HD2 HIS A 83 1.939 -14.124 9.704 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.123 -10.043 10.904 1.00 0.00 H new ATOM 1292 N ASP A 84 8.469 -13.835 9.839 1.00 0.00 N ATOM 1293 CA ASP A 84 9.677 -14.646 9.622 1.00 0.00 C ATOM 1294 C ASP A 84 9.399 -16.142 9.773 1.00 0.00 C ATOM 1295 O ASP A 84 8.551 -16.528 10.585 1.00 0.00 O ATOM 1296 CB ASP A 84 10.793 -14.196 10.582 1.00 0.00 C ATOM 1297 CG ASP A 84 12.039 -13.646 9.891 1.00 0.00 C ATOM 1298 OD1 ASP A 84 11.958 -13.205 8.722 1.00 0.00 O ATOM 1299 OD2 ASP A 84 13.109 -13.718 10.544 1.00 0.00 O ATOM 0 H ASP A 84 8.626 -13.064 10.488 1.00 0.00 H new ATOM 0 HA ASP A 84 10.005 -14.487 8.595 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.395 -13.431 11.248 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.082 -15.042 11.205 1.00 0.00 H new ATOM 1304 N SER A 85 10.083 -16.977 8.980 1.00 0.00 N ATOM 1305 CA SER A 85 9.573 -18.294 8.602 1.00 0.00 C ATOM 1306 C SER A 85 10.652 -19.378 8.616 1.00 0.00 C ATOM 1307 O SER A 85 11.847 -19.098 8.518 1.00 0.00 O ATOM 1308 CB SER A 85 8.982 -18.168 7.193 1.00 0.00 C ATOM 1309 OG SER A 85 7.960 -19.121 6.997 1.00 0.00 O ATOM 0 H SER A 85 10.998 -16.758 8.587 1.00 0.00 H new ATOM 0 HA SER A 85 8.824 -18.601 9.332 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.583 -17.164 7.048 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.766 -18.310 6.450 1.00 0.00 H new ATOM 0 HG SER A 85 7.593 -19.026 6.093 1.00 0.00 H new ATOM 1315 N ARG A 86 10.244 -20.647 8.658 1.00 0.00 N ATOM 1316 CA ARG A 86 11.111 -21.834 8.710 1.00 0.00 C ATOM 1317 C ARG A 86 11.976 -22.088 7.468 1.00 0.00 C ATOM 1318 O ARG A 86 12.550 -23.170 7.352 1.00 0.00 O ATOM 1319 CB ARG A 86 10.270 -23.056 9.091 1.00 0.00 C ATOM 1320 CG ARG A 86 9.152 -23.447 8.119 1.00 0.00 C ATOM 1321 CD ARG A 86 9.615 -24.314 6.948 1.00 0.00 C ATOM 1322 NE ARG A 86 8.493 -24.957 6.251 1.00 0.00 N ATOM 1323 CZ ARG A 86 7.902 -26.099 6.619 1.00 0.00 C ATOM 1324 NH1 ARG A 86 8.277 -26.721 7.729 1.00 0.00 N ATOM 1325 NH2 ARG A 86 6.927 -26.630 5.895 1.00 0.00 N ATOM 0 H ARG A 86 9.254 -20.891 8.657 1.00 0.00 H new ATOM 0 HA ARG A 86 11.855 -21.632 9.481 1.00 0.00 H new ATOM 0 HB2 ARG A 86 10.939 -23.909 9.202 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.823 -22.872 10.068 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.378 -23.982 8.669 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.694 -22.540 7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.173 -23.699 6.242 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.299 -25.080 7.314 1.00 0.00 H new ATOM 0 HE ARG A 86 8.134 -24.494 5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.020 -26.329 8.307 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.822 -27.592 8.004 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.616 -26.167 5.041 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.488 -27.502 6.192 1.00 0.00 H new ATOM 1339 N ARG A 87 12.010 -21.183 6.489 1.00 0.00 N ATOM 1340 CA ARG A 87 12.797 -21.334 5.260 1.00 0.00 C ATOM 1341 C ARG A 87 13.277 -19.984 4.711 1.00 0.00 C ATOM 1342 O ARG A 87 13.931 -19.960 3.667 1.00 0.00 O ATOM 1343 CB ARG A 87 11.934 -22.077 4.223 1.00 0.00 C ATOM 1344 CG ARG A 87 12.739 -22.716 3.082 1.00 0.00 C ATOM 1345 CD ARG A 87 11.986 -22.584 1.753 1.00 0.00 C ATOM 1346 NE ARG A 87 10.765 -23.400 1.683 1.00 0.00 N ATOM 1347 CZ ARG A 87 10.682 -24.732 1.585 1.00 0.00 C ATOM 1348 NH1 ARG A 87 11.774 -25.489 1.650 1.00 0.00 N ATOM 1349 NH2 ARG A 87 9.492 -25.295 1.408 1.00 0.00 N ATOM 0 H ARG A 87 11.484 -20.310 6.526 1.00 0.00 H new ATOM 0 HA ARG A 87 13.697 -21.908 5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.363 -22.855 4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.213 -21.378 3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.714 -22.235 3.003 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.919 -23.768 3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.723 -21.538 1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.651 -22.870 0.938 1.00 0.00 H new ATOM 0 HE ARG A 87 9.880 -22.893 1.712 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.689 -25.055 1.776 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.697 -26.503 1.574 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.656 -24.713 1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.414 -26.309 1.332 1.00 0.00 H new ATOM 1363 N TRP A 88 12.903 -18.876 5.352 1.00 0.00 N ATOM 1364 CA TRP A 88 13.182 -17.529 4.889 1.00 0.00 C ATOM 1365 C TRP A 88 13.351 -16.656 6.108 1.00 0.00 C ATOM 1366 O TRP A 88 12.566 -16.780 7.057 1.00 0.00 O ATOM 1367 CB TRP A 88 12.011 -16.963 4.084 1.00 0.00 C ATOM 1368 CG TRP A 88 11.733 -17.647 2.793 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.960 -18.741 2.651 1.00 0.00 C ATOM 1370 CD2 TRP A 88 12.127 -17.246 1.451 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.893 -19.085 1.321 1.00 0.00 N ATOM 1372 CE2 TRP A 88 11.576 -18.188 0.533 1.00 0.00 C ATOM 1373 CE3 TRP A 88 12.842 -16.152 0.916 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 11.709 -18.047 -0.852 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 13.002 -16.012 -0.476 1.00 0.00 C ATOM 1376 CH2 TRP A 88 12.430 -16.953 -1.349 1.00 0.00 C ATOM 0 H TRP A 88 12.384 -18.898 6.230 1.00 0.00 H new ATOM 0 HA TRP A 88 14.071 -17.551 4.258 1.00 0.00 H new ATOM 0 HB2 TRP A 88 11.113 -17.009 4.700 1.00 0.00 H new ATOM 0 HB3 TRP A 88 12.206 -15.910 3.883 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.469 -19.267 3.457 1.00 0.00 H new ATOM 0 HE1 TRP A 88 10.399 -19.903 0.964 1.00 0.00 H new ATOM 0 HE3 TRP A 88 13.270 -15.416 1.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 11.265 -18.766 -1.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 13.565 -15.180 -0.873 1.00 0.00 H new ATOM 0 HH2 TRP A 88 12.547 -16.832 -2.416 1.00 0.00 H new ATOM 1387 N GLN A 89 14.286 -15.720 6.043 1.00 0.00 N ATOM 1388 CA GLN A 89 14.302 -14.591 6.942 1.00 0.00 C ATOM 1389 C GLN A 89 14.429 -13.312 6.134 1.00 0.00 C ATOM 1390 O GLN A 89 14.956 -13.311 5.016 1.00 0.00 O ATOM 1391 CB GLN A 89 15.397 -14.728 8.002 1.00 0.00 C ATOM 1392 CG GLN A 89 15.011 -15.734 9.096 1.00 0.00 C ATOM 1393 CD GLN A 89 15.547 -17.134 8.844 1.00 0.00 C ATOM 1394 OE1 GLN A 89 16.742 -17.379 8.975 1.00 0.00 O ATOM 1395 NE2 GLN A 89 14.695 -18.101 8.543 1.00 0.00 N ATOM 0 H GLN A 89 15.049 -15.727 5.366 1.00 0.00 H new ATOM 0 HA GLN A 89 13.362 -14.556 7.493 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.325 -15.046 7.527 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.588 -13.755 8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.385 -15.377 10.056 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.925 -15.777 9.173 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.703 -17.891 8.435 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.031 -19.056 8.419 1.00 0.00 H new ATOM 1404 N LEU A 90 13.907 -12.243 6.723 1.00 0.00 N ATOM 1405 CA LEU A 90 13.876 -10.899 6.180 1.00 0.00 C ATOM 1406 C LEU A 90 14.863 -10.024 6.923 1.00 0.00 C ATOM 1407 O LEU A 90 15.496 -10.417 7.906 1.00 0.00 O ATOM 1408 CB LEU A 90 12.449 -10.331 6.290 1.00 0.00 C ATOM 1409 CG LEU A 90 11.605 -10.364 5.014 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.449 -9.072 4.213 1.00 0.00 C ATOM 1411 CD2 LEU A 90 11.872 -11.582 4.121 1.00 0.00 C ATOM 0 H LEU A 90 13.471 -12.299 7.643 1.00 0.00 H new ATOM 0 HA LEU A 90 14.161 -10.921 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.919 -10.885 7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.518 -9.297 6.628 1.00 0.00 H new ATOM 0 HG LEU A 90 10.612 -10.480 5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.824 -9.259 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.981 -8.311 4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.430 -8.724 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.235 -11.532 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.918 -11.586 3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.653 -12.495 4.675 1.00 0.00 H new ATOM 1423 N SER A 91 15.010 -8.826 6.381 1.00 0.00 N ATOM 1424 CA SER A 91 15.918 -7.802 6.884 1.00 0.00 C ATOM 1425 C SER A 91 15.705 -6.483 6.136 1.00 0.00 C ATOM 1426 O SER A 91 14.709 -6.296 5.440 1.00 0.00 O ATOM 1427 CB SER A 91 17.379 -8.266 6.740 1.00 0.00 C ATOM 1428 OG SER A 91 18.174 -7.662 7.742 1.00 0.00 O ATOM 0 H SER A 91 14.488 -8.529 5.557 1.00 0.00 H new ATOM 0 HA SER A 91 15.705 -7.640 7.941 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.435 -9.351 6.823 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.759 -8.002 5.753 1.00 0.00 H new ATOM 0 HG SER A 91 19.102 -7.961 7.648 1.00 0.00 H new ATOM 1434 N VAL A 92 16.633 -5.552 6.319 1.00 0.00 N ATOM 1435 CA VAL A 92 16.793 -4.289 5.642 1.00 0.00 C ATOM 1436 C VAL A 92 18.298 -3.967 5.624 1.00 0.00 C ATOM 1437 O VAL A 92 19.068 -4.572 6.379 1.00 0.00 O ATOM 1438 CB VAL A 92 15.932 -3.294 6.427 1.00 0.00 C ATOM 1439 CG1 VAL A 92 16.394 -3.050 7.866 1.00 0.00 C ATOM 1440 CG2 VAL A 92 15.782 -1.951 5.727 1.00 0.00 C ATOM 0 H VAL A 92 17.363 -5.686 7.019 1.00 0.00 H new ATOM 0 HA VAL A 92 16.466 -4.270 4.602 1.00 0.00 H new ATOM 0 HB VAL A 92 14.963 -3.791 6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 92 15.727 -2.333 8.346 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.375 -3.989 8.419 1.00 0.00 H new ATOM 0 HG13 VAL A 92 17.409 -2.653 7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.162 -1.292 6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.765 -1.500 5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 92 15.312 -2.098 4.755 1.00 0.00 H new ATOM 1450 N ALA A 93 18.731 -3.030 4.780 1.00 0.00 N ATOM 1451 CA ALA A 93 20.095 -2.504 4.763 1.00 0.00 C ATOM 1452 C ALA A 93 20.323 -1.550 5.954 1.00 0.00 C ATOM 1453 O ALA A 93 19.525 -1.491 6.894 1.00 0.00 O ATOM 1454 CB ALA A 93 20.369 -1.818 3.416 1.00 0.00 C ATOM 0 H ALA A 93 18.129 -2.607 4.074 1.00 0.00 H new ATOM 0 HA ALA A 93 20.802 -3.326 4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.386 -1.427 3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.251 -2.541 2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.664 -0.998 3.275 1.00 0.00 H new