USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 710 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 CYS SG : rot 53:sc= -2.1! USER MOD Set 1.2: A 62 HIS : no HE2:sc= -5.27! C(o=-7.4!,f=-21!) USER MOD Set 2.1: A 36 ASN : amide:sc= -7.39! C(o=-16!,f=-12!) USER MOD Set 2.2: A 56 HIS : no HD1:sc= -8.17! C(o=-16!,f=-16!) USER MOD Set 3.1: A 17 HIS : no HD1:sc= -3.51! C(o=-9.1!,f=-10!) USER MOD Set 3.2: A 107 GLN : amide:sc= -5.62! C(o=-9.1!,f=-13!) USER MOD Single : A 25 SER OG : rot -110:sc= -11.8! USER MOD Single : A 27 GLN : amide:sc= -0.0891 K(o=-0.089,f=-1.1) USER MOD Single : A 33 SER OG : rot 21:sc= -6.18! USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= -0.0328 (180deg=-0.275) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= -1.55 (180deg=-1.77) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 100:sc= -0.815 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 75:sc= 0.0517 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -10:sc= 1.12 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -3.51 K(o=-3.5,f=-1.3) USER MOD Single : A 90 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-0.9) USER MOD Single : A 91 TYR OH : rot 101:sc= -0.691 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.37 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 28:sc= 0.39 USER MOD Single : A 106 CYS SG : rot -11:sc= -18.9! USER MOD Single : B 4 THR OG1 : rot 34:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 209 N TRP A 15 2.310 -7.027 -3.347 1.00 0.00 N ATOM 210 CA TRP A 15 2.098 -5.616 -3.050 1.00 0.00 C ATOM 211 C TRP A 15 1.204 -5.429 -1.814 1.00 0.00 C ATOM 212 O TRP A 15 0.897 -4.311 -1.423 1.00 0.00 O ATOM 213 CB TRP A 15 1.480 -4.911 -4.266 1.00 0.00 C ATOM 214 CG TRP A 15 0.292 -5.689 -4.803 1.00 0.00 C ATOM 215 CD1 TRP A 15 0.330 -6.615 -5.846 1.00 0.00 C ATOM 216 CD2 TRP A 15 -1.062 -5.612 -4.356 1.00 0.00 C ATOM 217 NE1 TRP A 15 -0.925 -7.109 -6.060 1.00 0.00 N ATOM 218 CE2 TRP A 15 -1.819 -6.519 -5.162 1.00 0.00 C ATOM 219 CE3 TRP A 15 -1.685 -4.870 -3.362 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -3.185 -6.668 -4.962 1.00 0.00 C ATOM 221 CZ3 TRP A 15 -3.079 -5.014 -3.148 1.00 0.00 C ATOM 222 CH2 TRP A 15 -3.830 -5.914 -3.949 1.00 0.00 C ATOM 0 HA TRP A 15 3.067 -5.169 -2.829 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.164 -3.906 -3.986 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.231 -4.803 -5.048 1.00 0.00 H new ATOM 0 HD1 TRP A 15 1.214 -6.897 -6.398 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -1.172 -7.802 -6.767 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -1.111 -4.186 -2.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -3.752 -7.354 -5.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.569 -4.439 -2.376 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.892 -6.024 -3.787 1.00 0.00 H new ATOM 233 N PHE A 16 0.812 -6.574 -1.215 1.00 0.00 N ATOM 234 CA PHE A 16 -0.007 -6.468 -0.025 1.00 0.00 C ATOM 235 C PHE A 16 0.477 -7.439 1.043 1.00 0.00 C ATOM 236 O PHE A 16 -0.053 -8.531 1.210 1.00 0.00 O ATOM 237 CB PHE A 16 -1.458 -6.762 -0.363 1.00 0.00 C ATOM 238 CG PHE A 16 -2.373 -6.412 0.789 1.00 0.00 C ATOM 239 CD1 PHE A 16 -1.850 -5.875 1.999 1.00 0.00 C ATOM 240 CD2 PHE A 16 -3.767 -6.638 0.686 1.00 0.00 C ATOM 241 CE1 PHE A 16 -2.707 -5.574 3.081 1.00 0.00 C ATOM 242 CE2 PHE A 16 -4.623 -6.334 1.771 1.00 0.00 C ATOM 243 CZ PHE A 16 -4.093 -5.803 2.966 1.00 0.00 C ATOM 0 H PHE A 16 1.040 -7.519 -1.523 1.00 0.00 H new ATOM 0 HA PHE A 16 0.074 -5.451 0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.750 -6.195 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.569 -7.818 -0.611 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.789 -5.696 2.091 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.179 -7.045 -0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.300 -5.169 3.996 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.685 -6.509 1.684 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.749 -5.572 3.792 1.00 0.00 H new ATOM 253 N HIS A 17 1.511 -6.971 1.755 1.00 0.00 N ATOM 254 CA HIS A 17 2.032 -7.796 2.821 1.00 0.00 C ATOM 255 C HIS A 17 1.624 -7.186 4.157 1.00 0.00 C ATOM 256 O HIS A 17 2.063 -6.110 4.544 1.00 0.00 O ATOM 257 CB HIS A 17 3.542 -7.898 2.722 1.00 0.00 C ATOM 258 CG HIS A 17 3.907 -9.039 1.803 1.00 0.00 C ATOM 259 ND1 HIS A 17 4.829 -9.981 2.100 1.00 0.00 N ATOM 260 CD2 HIS A 17 3.376 -9.331 0.534 1.00 0.00 C ATOM 261 CE1 HIS A 17 4.863 -10.822 1.054 1.00 0.00 C ATOM 262 NE2 HIS A 17 3.996 -10.452 0.095 1.00 0.00 N ATOM 0 H HIS A 17 1.974 -6.073 1.615 1.00 0.00 H new ATOM 0 HA HIS A 17 1.623 -8.803 2.739 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.957 -6.964 2.343 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.972 -8.060 3.710 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.618 -8.768 0.009 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.506 -11.687 0.991 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.836 -10.926 -0.794 1.00 0.00 H new ATOM 353 N GLU A 23 9.893 -0.395 7.550 1.00 0.00 N ATOM 354 CA GLU A 23 11.246 -0.339 7.079 1.00 0.00 C ATOM 355 C GLU A 23 11.486 -1.590 6.250 1.00 0.00 C ATOM 356 O GLU A 23 12.030 -1.567 5.155 1.00 0.00 O ATOM 357 CB GLU A 23 12.154 -0.305 8.305 1.00 0.00 C ATOM 358 CG GLU A 23 12.652 -1.683 8.729 1.00 0.00 C ATOM 359 CD GLU A 23 13.745 -1.534 9.790 1.00 0.00 C ATOM 360 OE1 GLU A 23 13.813 -0.479 10.418 1.00 0.00 O ATOM 361 OE2 GLU A 23 14.516 -2.474 9.974 1.00 0.00 O ATOM 0 HA GLU A 23 11.446 0.540 6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.012 0.334 8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.614 0.149 9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.825 -2.273 9.125 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.042 -2.221 7.865 1.00 0.00 H new ATOM 368 N GLU A 24 11.022 -2.678 6.880 1.00 0.00 N ATOM 369 CA GLU A 24 11.134 -3.974 6.239 1.00 0.00 C ATOM 370 C GLU A 24 10.575 -3.904 4.810 1.00 0.00 C ATOM 371 O GLU A 24 11.022 -4.597 3.907 1.00 0.00 O ATOM 372 CB GLU A 24 10.365 -4.994 7.068 1.00 0.00 C ATOM 373 CG GLU A 24 10.867 -5.032 8.511 1.00 0.00 C ATOM 374 CD GLU A 24 12.247 -5.690 8.562 1.00 0.00 C ATOM 375 OE1 GLU A 24 12.310 -6.917 8.614 1.00 0.00 O ATOM 376 OE2 GLU A 24 13.242 -4.968 8.549 1.00 0.00 O ATOM 0 H GLU A 24 10.582 -2.680 7.800 1.00 0.00 H new ATOM 0 HA GLU A 24 12.181 -4.272 6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.303 -4.748 7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.468 -5.982 6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.921 -4.021 8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.166 -5.587 9.135 1.00 0.00 H new ATOM 383 N SER A 25 9.567 -3.020 4.675 1.00 0.00 N ATOM 384 CA SER A 25 8.942 -2.856 3.371 1.00 0.00 C ATOM 385 C SER A 25 9.766 -1.913 2.482 1.00 0.00 C ATOM 386 O SER A 25 9.744 -2.002 1.261 1.00 0.00 O ATOM 387 CB SER A 25 7.537 -2.297 3.568 1.00 0.00 C ATOM 388 OG SER A 25 6.965 -1.941 2.336 1.00 0.00 O ATOM 0 H SER A 25 9.189 -2.438 5.422 1.00 0.00 H new ATOM 0 HA SER A 25 8.892 -3.824 2.873 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.911 -3.039 4.064 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.576 -1.426 4.222 1.00 0.00 H new ATOM 0 HG SER A 25 6.897 -0.965 2.277 1.00 0.00 H new ATOM 394 N GLU A 26 10.490 -1.011 3.172 1.00 0.00 N ATOM 395 CA GLU A 26 11.287 -0.052 2.452 1.00 0.00 C ATOM 396 C GLU A 26 12.631 -0.654 2.023 1.00 0.00 C ATOM 397 O GLU A 26 13.245 -0.215 1.058 1.00 0.00 O ATOM 398 CB GLU A 26 11.473 1.151 3.370 1.00 0.00 C ATOM 399 CG GLU A 26 12.904 1.669 3.351 1.00 0.00 C ATOM 400 CD GLU A 26 13.048 2.853 4.311 1.00 0.00 C ATOM 401 OE1 GLU A 26 12.065 3.563 4.518 1.00 0.00 O ATOM 402 OE2 GLU A 26 14.140 3.050 4.840 1.00 0.00 O ATOM 0 H GLU A 26 10.528 -0.941 4.189 1.00 0.00 H new ATOM 0 HA GLU A 26 10.789 0.250 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.795 1.948 3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.201 0.875 4.389 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.591 0.873 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.175 1.975 2.341 1.00 0.00 H new ATOM 409 N GLN A 27 13.049 -1.677 2.789 1.00 0.00 N ATOM 410 CA GLN A 27 14.301 -2.320 2.431 1.00 0.00 C ATOM 411 C GLN A 27 13.983 -3.340 1.342 1.00 0.00 C ATOM 412 O GLN A 27 14.793 -3.659 0.484 1.00 0.00 O ATOM 413 CB GLN A 27 14.940 -2.981 3.650 1.00 0.00 C ATOM 414 CG GLN A 27 14.052 -4.074 4.235 1.00 0.00 C ATOM 415 CD GLN A 27 14.706 -5.442 4.031 1.00 0.00 C ATOM 416 OE1 GLN A 27 15.370 -5.700 3.034 1.00 0.00 O ATOM 417 NE2 GLN A 27 14.471 -6.294 5.045 1.00 0.00 N ATOM 0 H GLN A 27 12.567 -2.050 3.607 1.00 0.00 H new ATOM 0 HA GLN A 27 15.023 -1.590 2.064 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.903 -3.407 3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.136 -2.226 4.411 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.891 -3.893 5.298 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.073 -4.054 3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.905 -5.997 5.840 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.858 -7.237 5.019 1.00 0.00 H new ATOM 426 N ILE A 28 12.732 -3.819 1.439 1.00 0.00 N ATOM 427 CA ILE A 28 12.264 -4.741 0.466 1.00 0.00 C ATOM 428 C ILE A 28 12.112 -4.018 -0.856 1.00 0.00 C ATOM 429 O ILE A 28 12.410 -4.529 -1.928 1.00 0.00 O ATOM 430 CB ILE A 28 10.926 -5.233 0.966 1.00 0.00 C ATOM 431 CG1 ILE A 28 11.100 -6.383 1.934 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.031 -5.643 -0.185 1.00 0.00 C ATOM 433 CD1 ILE A 28 9.850 -6.552 2.788 1.00 0.00 C ATOM 0 H ILE A 28 12.064 -3.575 2.170 1.00 0.00 H new ATOM 0 HA ILE A 28 12.948 -5.576 0.317 1.00 0.00 H new ATOM 0 HB ILE A 28 10.447 -4.408 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.299 -7.303 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.963 -6.201 2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.075 -5.993 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.865 -4.787 -0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.508 -6.444 -0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.991 -7.383 3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.669 -5.637 3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.994 -6.757 2.144 1.00 0.00 H new ATOM 445 N VAL A 29 11.597 -2.801 -0.701 1.00 0.00 N ATOM 446 CA VAL A 29 11.435 -1.984 -1.871 1.00 0.00 C ATOM 447 C VAL A 29 12.803 -1.673 -2.461 1.00 0.00 C ATOM 448 O VAL A 29 12.959 -1.439 -3.653 1.00 0.00 O ATOM 449 CB VAL A 29 10.723 -0.704 -1.454 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.123 0.451 -2.359 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.207 -0.896 -1.450 1.00 0.00 C ATOM 0 H VAL A 29 11.301 -2.385 0.182 1.00 0.00 H new ATOM 0 HA VAL A 29 10.846 -2.499 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 29 11.030 -0.461 -0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.604 1.356 -2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.199 0.609 -2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.853 0.217 -3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.723 0.033 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.872 -1.171 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.942 -1.687 -0.748 1.00 0.00 H new ATOM 461 N LEU A 30 13.773 -1.687 -1.546 1.00 0.00 N ATOM 462 CA LEU A 30 15.111 -1.440 -1.952 1.00 0.00 C ATOM 463 C LEU A 30 15.497 -2.512 -2.969 1.00 0.00 C ATOM 464 O LEU A 30 16.213 -2.276 -3.934 1.00 0.00 O ATOM 465 CB LEU A 30 15.949 -1.525 -0.683 1.00 0.00 C ATOM 466 CG LEU A 30 16.842 -2.755 -0.640 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.096 -2.546 -1.473 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.209 -3.097 0.788 1.00 0.00 C ATOM 0 H LEU A 30 13.640 -1.864 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 30 15.256 -0.469 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.568 -0.631 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.287 -1.533 0.183 1.00 0.00 H new ATOM 0 HG LEU A 30 16.285 -3.590 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.718 -3.440 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.817 -2.353 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 30 18.654 -1.695 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.848 -3.980 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.741 -2.259 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.302 -3.299 1.358 1.00 0.00 H new ATOM 480 N ILE A 31 14.954 -3.707 -2.663 1.00 0.00 N ATOM 481 CA ILE A 31 15.219 -4.831 -3.505 1.00 0.00 C ATOM 482 C ILE A 31 14.631 -4.586 -4.866 1.00 0.00 C ATOM 483 O ILE A 31 15.311 -4.439 -5.874 1.00 0.00 O ATOM 484 CB ILE A 31 14.553 -6.090 -2.954 1.00 0.00 C ATOM 485 CG1 ILE A 31 14.319 -6.053 -1.454 1.00 0.00 C ATOM 486 CG2 ILE A 31 15.364 -7.288 -3.333 1.00 0.00 C ATOM 487 CD1 ILE A 31 15.380 -6.840 -0.682 1.00 0.00 C ATOM 0 H ILE A 31 14.352 -3.891 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 31 16.300 -4.964 -3.552 1.00 0.00 H new ATOM 0 HB ILE A 31 13.562 -6.147 -3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.319 -5.017 -1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.333 -6.462 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 31 14.890 -8.187 -2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.427 -7.356 -4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.367 -7.195 -2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.169 -6.784 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.363 -7.882 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 31 16.364 -6.416 -0.881 1.00 0.00 H new ATOM 499 N GLY A 32 13.297 -4.564 -4.800 1.00 0.00 N ATOM 500 CA GLY A 32 12.558 -4.417 -6.027 1.00 0.00 C ATOM 501 C GLY A 32 11.948 -3.025 -6.210 1.00 0.00 C ATOM 502 O GLY A 32 11.131 -2.567 -5.423 1.00 0.00 O ATOM 0 H GLY A 32 12.741 -4.643 -3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.219 -4.629 -6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.761 -5.160 -6.053 1.00 0.00 H new ATOM 506 N SER A 33 12.403 -2.412 -7.325 1.00 0.00 N ATOM 507 CA SER A 33 11.909 -1.085 -7.679 1.00 0.00 C ATOM 508 C SER A 33 12.751 -0.544 -8.842 1.00 0.00 C ATOM 509 O SER A 33 12.946 -1.221 -9.845 1.00 0.00 O ATOM 510 CB SER A 33 11.952 -0.149 -6.472 1.00 0.00 C ATOM 511 OG SER A 33 11.529 1.138 -6.842 1.00 0.00 O ATOM 0 H SER A 33 13.088 -2.807 -7.969 1.00 0.00 H new ATOM 0 HA SER A 33 10.867 -1.149 -7.992 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.312 -0.536 -5.679 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.965 -0.106 -6.072 1.00 0.00 H new ATOM 0 HG SER A 33 10.998 1.084 -7.664 1.00 0.00 H new ATOM 517 N LYS A 34 13.222 0.713 -8.651 1.00 0.00 N ATOM 518 CA LYS A 34 14.050 1.321 -9.689 1.00 0.00 C ATOM 519 C LYS A 34 13.184 2.002 -10.731 1.00 0.00 C ATOM 520 O LYS A 34 13.306 3.184 -11.027 1.00 0.00 O ATOM 521 CB LYS A 34 14.851 0.231 -10.387 1.00 0.00 C ATOM 522 CG LYS A 34 16.162 0.763 -10.948 1.00 0.00 C ATOM 523 CD LYS A 34 17.322 0.552 -9.974 1.00 0.00 C ATOM 524 CE LYS A 34 17.673 -0.930 -9.829 1.00 0.00 C ATOM 525 NZ LYS A 34 18.163 -1.509 -11.075 1.00 0.00 N ATOM 0 H LYS A 34 13.048 1.290 -7.828 1.00 0.00 H new ATOM 0 HA LYS A 34 14.707 2.055 -9.222 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.058 -0.575 -9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.257 -0.196 -11.195 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.383 0.263 -11.891 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.059 1.826 -11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.196 1.101 -10.324 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.058 0.961 -8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.431 -1.047 -9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.791 -1.479 -9.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.621 -2.422 -10.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.366 -1.656 -11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.852 -0.863 -11.511 1.00 0.00 H new ATOM 539 N THR A 35 12.316 1.139 -11.265 1.00 0.00 N ATOM 540 CA THR A 35 11.404 1.552 -12.321 1.00 0.00 C ATOM 541 C THR A 35 10.563 2.792 -11.974 1.00 0.00 C ATOM 542 O THR A 35 9.749 3.256 -12.763 1.00 0.00 O ATOM 543 CB THR A 35 10.499 0.369 -12.621 1.00 0.00 C ATOM 544 OG1 THR A 35 10.997 -0.792 -11.994 1.00 0.00 O ATOM 545 CG2 THR A 35 10.386 0.122 -14.114 1.00 0.00 C ATOM 0 H THR A 35 12.230 0.162 -10.984 1.00 0.00 H new ATOM 0 HA THR A 35 11.997 1.846 -13.187 1.00 0.00 H new ATOM 0 HB THR A 35 9.508 0.604 -12.233 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.407 -1.549 -12.191 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.732 -0.731 -14.293 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.971 1.006 -14.599 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.374 -0.086 -14.524 1.00 0.00 H new ATOM 553 N ASN A 36 10.811 3.283 -10.767 1.00 0.00 N ATOM 554 CA ASN A 36 10.091 4.469 -10.319 1.00 0.00 C ATOM 555 C ASN A 36 8.580 4.289 -10.495 1.00 0.00 C ATOM 556 O ASN A 36 7.838 5.234 -10.721 1.00 0.00 O ATOM 557 CB ASN A 36 10.584 5.681 -11.109 1.00 0.00 C ATOM 558 CG ASN A 36 9.741 6.915 -10.768 1.00 0.00 C ATOM 559 OD1 ASN A 36 9.520 7.795 -11.591 1.00 0.00 O ATOM 560 ND2 ASN A 36 9.290 6.914 -9.500 1.00 0.00 N ATOM 0 H ASN A 36 11.480 2.896 -10.101 1.00 0.00 H new ATOM 0 HA ASN A 36 10.283 4.625 -9.257 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.632 5.873 -10.878 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.525 5.476 -12.178 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.718 7.688 -9.162 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.521 6.140 -8.877 1.00 0.00 H new ATOM 567 N GLY A 37 8.184 3.017 -10.374 1.00 0.00 N ATOM 568 CA GLY A 37 6.771 2.702 -10.486 1.00 0.00 C ATOM 569 C GLY A 37 6.434 1.467 -9.649 1.00 0.00 C ATOM 570 O GLY A 37 5.412 0.819 -9.839 1.00 0.00 O ATOM 0 H GLY A 37 8.801 2.222 -10.205 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.175 3.551 -10.151 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.513 2.524 -11.530 1.00 0.00 H new ATOM 574 N LYS A 38 7.365 1.188 -8.714 1.00 0.00 N ATOM 575 CA LYS A 38 7.166 0.040 -7.877 1.00 0.00 C ATOM 576 C LYS A 38 6.439 0.487 -6.630 1.00 0.00 C ATOM 577 O LYS A 38 6.559 1.623 -6.192 1.00 0.00 O ATOM 578 CB LYS A 38 8.511 -0.571 -7.536 1.00 0.00 C ATOM 579 CG LYS A 38 8.380 -2.005 -7.038 1.00 0.00 C ATOM 580 CD LYS A 38 8.402 -3.015 -8.182 1.00 0.00 C ATOM 581 CE LYS A 38 9.359 -4.170 -7.893 1.00 0.00 C ATOM 582 NZ LYS A 38 9.306 -5.204 -8.920 1.00 0.00 N ATOM 0 H LYS A 38 8.214 1.726 -8.541 1.00 0.00 H new ATOM 0 HA LYS A 38 6.571 -0.717 -8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.152 -0.551 -8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.000 0.034 -6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.194 -2.224 -6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.450 -2.111 -6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.397 -3.406 -8.343 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.701 -2.516 -9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.376 -3.786 -7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.113 -4.609 -6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.020 -5.933 -8.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.361 -5.638 -8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.500 -4.780 -9.850 1.00 0.00 H new ATOM 596 N PHE A 39 5.683 -0.467 -6.088 1.00 0.00 N ATOM 597 CA PHE A 39 4.925 -0.108 -4.904 1.00 0.00 C ATOM 598 C PHE A 39 4.444 -1.340 -4.133 1.00 0.00 C ATOM 599 O PHE A 39 4.144 -2.385 -4.695 1.00 0.00 O ATOM 600 CB PHE A 39 3.739 0.757 -5.343 1.00 0.00 C ATOM 601 CG PHE A 39 2.572 -0.085 -5.776 1.00 0.00 C ATOM 602 CD1 PHE A 39 2.541 -0.681 -7.058 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.506 -0.311 -4.880 1.00 0.00 C ATOM 604 CE1 PHE A 39 1.448 -1.496 -7.439 1.00 0.00 C ATOM 605 CE2 PHE A 39 0.414 -1.123 -5.255 1.00 0.00 C ATOM 606 CZ PHE A 39 0.384 -1.717 -6.536 1.00 0.00 C ATOM 0 H PHE A 39 5.584 -1.425 -6.423 1.00 0.00 H new ATOM 0 HA PHE A 39 5.569 0.447 -4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.436 1.405 -4.520 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.045 1.406 -6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.354 -0.514 -7.749 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.526 0.141 -3.899 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.427 -1.949 -8.419 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.398 -1.290 -4.563 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.450 -2.339 -6.825 1.00 0.00 H new ATOM 616 N LEU A 40 4.365 -1.115 -2.812 1.00 0.00 N ATOM 617 CA LEU A 40 3.866 -2.172 -1.948 1.00 0.00 C ATOM 618 C LEU A 40 3.114 -1.538 -0.775 1.00 0.00 C ATOM 619 O LEU A 40 3.657 -0.756 -0.004 1.00 0.00 O ATOM 620 CB LEU A 40 5.020 -3.036 -1.449 1.00 0.00 C ATOM 621 CG LEU A 40 5.724 -2.394 -0.255 1.00 0.00 C ATOM 622 CD1 LEU A 40 4.934 -2.642 1.029 1.00 0.00 C ATOM 623 CD2 LEU A 40 7.140 -2.948 -0.110 1.00 0.00 C ATOM 0 H LEU A 40 4.629 -0.248 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 40 3.185 -2.815 -2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.644 -4.019 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.737 -3.189 -2.256 1.00 0.00 H new ATOM 0 HG LEU A 40 5.782 -1.320 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.450 -2.178 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.938 -2.211 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.850 -3.715 1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.628 -2.480 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.095 -4.026 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.709 -2.733 -1.014 1.00 0.00 H new ATOM 635 N ILE A 41 1.827 -1.924 -0.702 1.00 0.00 N ATOM 636 CA ILE A 41 0.996 -1.400 0.372 1.00 0.00 C ATOM 637 C ILE A 41 1.057 -2.358 1.562 1.00 0.00 C ATOM 638 O ILE A 41 1.319 -3.547 1.424 1.00 0.00 O ATOM 639 CB ILE A 41 -0.439 -1.253 -0.126 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.391 -0.917 1.025 1.00 0.00 C ATOM 641 CG2 ILE A 41 -0.886 -2.535 -0.813 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.055 0.431 1.660 1.00 0.00 C ATOM 0 H ILE A 41 1.366 -2.567 -1.346 1.00 0.00 H new ATOM 0 HA ILE A 41 1.358 -0.421 0.686 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.467 -0.431 -0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.417 -0.900 0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.337 -1.699 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.911 -2.421 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.232 -2.741 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.835 -3.363 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.752 0.634 2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.038 0.405 2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.134 1.217 0.909 1.00 0.00 H new ATOM 654 N ARG A 42 0.800 -1.755 2.733 1.00 0.00 N ATOM 655 CA ARG A 42 0.829 -2.551 3.947 1.00 0.00 C ATOM 656 C ARG A 42 -0.351 -2.170 4.839 1.00 0.00 C ATOM 657 O ARG A 42 -0.569 -1.009 5.163 1.00 0.00 O ATOM 658 CB ARG A 42 2.148 -2.313 4.678 1.00 0.00 C ATOM 659 CG ARG A 42 2.058 -2.736 6.144 1.00 0.00 C ATOM 660 CD ARG A 42 3.365 -2.467 6.889 1.00 0.00 C ATOM 661 NE ARG A 42 3.135 -2.476 8.323 1.00 0.00 N ATOM 662 CZ ARG A 42 2.727 -1.339 8.919 1.00 0.00 C ATOM 663 NH1 ARG A 42 2.537 -0.237 8.197 1.00 0.00 N ATOM 664 NH2 ARG A 42 2.512 -1.317 10.231 1.00 0.00 N ATOM 0 H ARG A 42 0.581 -0.766 2.855 1.00 0.00 H new ATOM 0 HA ARG A 42 0.750 -3.609 3.696 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.944 -2.871 4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.414 -1.258 4.618 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.244 -2.197 6.629 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.817 -3.797 6.203 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.104 -3.224 6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.774 -1.504 6.585 1.00 0.00 H new ATOM 0 HE ARG A 42 3.280 -3.326 8.868 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.700 -0.252 7.190 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.228 0.623 8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.656 -2.161 10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.203 -0.456 10.683 1.00 0.00 H new ATOM 678 N ALA A 43 -1.091 -3.230 5.210 1.00 0.00 N ATOM 679 CA ALA A 43 -2.246 -3.010 6.064 1.00 0.00 C ATOM 680 C ALA A 43 -2.375 -4.171 7.048 1.00 0.00 C ATOM 681 O ALA A 43 -2.579 -5.319 6.672 1.00 0.00 O ATOM 682 CB ALA A 43 -3.502 -2.894 5.205 1.00 0.00 C ATOM 0 H ALA A 43 -0.914 -4.198 4.942 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.121 -2.084 6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.368 -2.729 5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.396 -2.056 4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.641 -3.814 4.638 1.00 0.00 H new ATOM 770 N TYR A 50 -3.325 2.318 7.894 1.00 0.00 N ATOM 771 CA TYR A 50 -2.501 1.696 6.869 1.00 0.00 C ATOM 772 C TYR A 50 -1.581 2.752 6.261 1.00 0.00 C ATOM 773 O TYR A 50 -1.538 3.896 6.696 1.00 0.00 O ATOM 774 CB TYR A 50 -3.391 1.079 5.790 1.00 0.00 C ATOM 775 CG TYR A 50 -4.392 0.121 6.373 1.00 0.00 C ATOM 776 CD1 TYR A 50 -4.119 -0.561 7.585 1.00 0.00 C ATOM 777 CD2 TYR A 50 -5.623 -0.112 5.711 1.00 0.00 C ATOM 778 CE1 TYR A 50 -5.063 -1.463 8.126 1.00 0.00 C ATOM 779 CE2 TYR A 50 -6.567 -1.014 6.253 1.00 0.00 C ATOM 780 CZ TYR A 50 -6.287 -1.689 7.460 1.00 0.00 C ATOM 781 OH TYR A 50 -7.208 -2.571 7.988 1.00 0.00 O ATOM 0 HA TYR A 50 -1.897 0.904 7.311 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.915 1.871 5.254 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.770 0.558 5.061 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.184 -0.390 8.098 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.841 0.403 4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.848 -1.980 9.050 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.503 -1.187 5.743 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.996 -2.609 7.406 1.00 0.00 H new ATOM 791 N ALA A 51 -0.853 2.293 5.227 1.00 0.00 N ATOM 792 CA ALA A 51 0.057 3.214 4.571 1.00 0.00 C ATOM 793 C ALA A 51 0.689 2.551 3.347 1.00 0.00 C ATOM 794 O ALA A 51 1.253 1.464 3.412 1.00 0.00 O ATOM 795 CB ALA A 51 1.136 3.650 5.560 1.00 0.00 C ATOM 0 H ALA A 51 -0.879 1.344 4.853 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.496 4.092 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.821 4.342 5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.670 4.144 6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.688 2.776 5.905 1.00 0.00 H new ATOM 801 N LEU A 52 0.550 3.293 2.234 1.00 0.00 N ATOM 802 CA LEU A 52 1.112 2.817 0.983 1.00 0.00 C ATOM 803 C LEU A 52 2.607 3.110 0.986 1.00 0.00 C ATOM 804 O LEU A 52 3.046 4.160 1.411 1.00 0.00 O ATOM 805 CB LEU A 52 0.418 3.541 -0.173 1.00 0.00 C ATOM 806 CG LEU A 52 1.365 3.833 -1.341 1.00 0.00 C ATOM 807 CD1 LEU A 52 2.014 2.541 -1.840 1.00 0.00 C ATOM 808 CD2 LEU A 52 0.594 4.509 -2.475 1.00 0.00 C ATOM 0 H LEU A 52 0.069 4.191 2.185 1.00 0.00 H new ATOM 0 HA LEU A 52 0.960 1.744 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.415 2.934 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.003 4.478 0.191 1.00 0.00 H new ATOM 0 HG LEU A 52 2.153 4.502 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.684 2.767 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.582 2.083 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.240 1.851 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.272 4.715 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.205 3.850 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.165 5.445 -2.116 1.00 0.00 H new ATOM 820 N CYS A 53 3.362 2.117 0.499 1.00 0.00 N ATOM 821 CA CYS A 53 4.797 2.324 0.471 1.00 0.00 C ATOM 822 C CYS A 53 5.354 1.884 -0.859 1.00 0.00 C ATOM 823 O CYS A 53 5.391 0.712 -1.206 1.00 0.00 O ATOM 824 CB CYS A 53 5.455 1.569 1.623 1.00 0.00 C ATOM 825 SG CYS A 53 4.667 1.900 3.220 1.00 0.00 S ATOM 0 H CYS A 53 3.024 1.223 0.143 1.00 0.00 H new ATOM 0 HA CYS A 53 5.013 3.385 0.595 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.417 0.499 1.419 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.508 1.846 1.678 1.00 0.00 H new ATOM 0 HG CYS A 53 3.391 1.671 3.130 1.00 0.00 H new ATOM 831 N LEU A 54 5.795 2.927 -1.568 1.00 0.00 N ATOM 832 CA LEU A 54 6.330 2.696 -2.867 1.00 0.00 C ATOM 833 C LEU A 54 7.663 3.436 -3.018 1.00 0.00 C ATOM 834 O LEU A 54 8.109 4.102 -2.099 1.00 0.00 O ATOM 835 CB LEU A 54 5.238 3.118 -3.845 1.00 0.00 C ATOM 836 CG LEU A 54 5.147 4.625 -4.205 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.724 5.120 -3.951 1.00 0.00 C ATOM 838 CD2 LEU A 54 6.119 5.517 -3.428 1.00 0.00 C ATOM 0 H LEU A 54 5.785 3.899 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 54 6.581 1.653 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.379 2.558 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.278 2.812 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 54 5.423 4.700 -5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.657 6.178 -4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.026 4.555 -4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.472 4.981 -2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.990 6.554 -3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.917 5.431 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.143 5.202 -3.630 1.00 0.00 H new ATOM 850 N LEU A 55 8.280 3.294 -4.208 1.00 0.00 N ATOM 851 CA LEU A 55 9.554 3.979 -4.368 1.00 0.00 C ATOM 852 C LEU A 55 9.496 4.956 -5.537 1.00 0.00 C ATOM 853 O LEU A 55 8.898 4.692 -6.573 1.00 0.00 O ATOM 854 CB LEU A 55 10.645 2.949 -4.591 1.00 0.00 C ATOM 855 CG LEU A 55 12.032 3.592 -4.615 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.687 3.588 -3.240 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.923 2.854 -5.595 1.00 0.00 C ATOM 0 H LEU A 55 7.944 2.755 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 55 9.772 4.550 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.605 2.199 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.468 2.429 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 55 11.906 4.629 -4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.670 4.054 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.066 4.146 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.794 2.561 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.910 3.316 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.014 1.812 -5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.486 2.903 -6.592 1.00 0.00 H new ATOM 869 N HIS A 56 10.161 6.104 -5.294 1.00 0.00 N ATOM 870 CA HIS A 56 10.183 7.114 -6.332 1.00 0.00 C ATOM 871 C HIS A 56 11.620 7.357 -6.834 1.00 0.00 C ATOM 872 O HIS A 56 12.377 8.133 -6.264 1.00 0.00 O ATOM 873 CB HIS A 56 9.590 8.411 -5.785 1.00 0.00 C ATOM 874 CG HIS A 56 9.640 9.476 -6.858 1.00 0.00 C ATOM 875 ND1 HIS A 56 9.131 9.319 -8.099 1.00 0.00 N ATOM 876 CD2 HIS A 56 10.215 10.758 -6.780 1.00 0.00 C ATOM 877 CE1 HIS A 56 9.385 10.459 -8.762 1.00 0.00 C ATOM 878 NE2 HIS A 56 10.038 11.344 -7.988 1.00 0.00 N ATOM 0 H HIS A 56 10.659 6.334 -4.434 1.00 0.00 H new ATOM 0 HA HIS A 56 9.587 6.765 -7.176 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.560 8.248 -5.467 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.147 8.737 -4.907 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.704 11.192 -5.920 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.101 10.642 -9.788 1.00 0.00 H new ATOM 0 HE2 HIS A 56 10.342 12.279 -8.259 1.00 0.00 H new ATOM 886 N GLU A 57 11.932 6.645 -7.937 1.00 0.00 N ATOM 887 CA GLU A 57 13.243 6.825 -8.564 1.00 0.00 C ATOM 888 C GLU A 57 14.428 6.511 -7.636 1.00 0.00 C ATOM 889 O GLU A 57 15.578 6.727 -7.997 1.00 0.00 O ATOM 890 CB GLU A 57 13.337 8.270 -9.010 1.00 0.00 C ATOM 891 CG GLU A 57 12.177 8.647 -9.929 1.00 0.00 C ATOM 892 CD GLU A 57 12.550 9.874 -10.762 1.00 0.00 C ATOM 893 OE1 GLU A 57 13.315 9.727 -11.714 1.00 0.00 O ATOM 894 OE2 GLU A 57 12.072 10.963 -10.450 1.00 0.00 O ATOM 0 H GLU A 57 11.318 5.969 -8.391 1.00 0.00 H new ATOM 0 HA GLU A 57 13.313 6.121 -9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.338 8.922 -8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.282 8.431 -9.529 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.935 7.811 -10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.286 8.856 -9.337 1.00 0.00 H new ATOM 901 N GLY A 58 14.102 6.002 -6.443 1.00 0.00 N ATOM 902 CA GLY A 58 15.187 5.697 -5.519 1.00 0.00 C ATOM 903 C GLY A 58 15.017 6.418 -4.177 1.00 0.00 C ATOM 904 O GLY A 58 15.973 6.709 -3.469 1.00 0.00 O ATOM 0 H GLY A 58 13.157 5.804 -6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.228 4.621 -5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.138 5.985 -5.968 1.00 0.00 H new ATOM 908 N LYS A 59 13.737 6.680 -3.894 1.00 0.00 N ATOM 909 CA LYS A 59 13.397 7.334 -2.662 1.00 0.00 C ATOM 910 C LYS A 59 12.115 6.686 -2.193 1.00 0.00 C ATOM 911 O LYS A 59 11.020 7.003 -2.641 1.00 0.00 O ATOM 912 CB LYS A 59 13.203 8.827 -2.875 1.00 0.00 C ATOM 913 CG LYS A 59 14.462 9.488 -3.437 1.00 0.00 C ATOM 914 CD LYS A 59 14.168 10.235 -4.738 1.00 0.00 C ATOM 915 CE LYS A 59 15.404 10.971 -5.255 1.00 0.00 C ATOM 916 NZ LYS A 59 15.134 11.717 -6.478 1.00 0.00 N ATOM 0 H LYS A 59 12.947 6.449 -4.497 1.00 0.00 H new ATOM 0 HA LYS A 59 14.191 7.229 -1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.370 8.992 -3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.937 9.298 -1.929 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.869 10.182 -2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.224 8.729 -3.616 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.821 9.529 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.361 10.949 -4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.764 11.655 -4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.202 10.251 -5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.001 12.199 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.816 11.062 -7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.392 12.423 -6.297 1.00 0.00 H new ATOM 930 N VAL A 60 12.331 5.762 -1.266 1.00 0.00 N ATOM 931 CA VAL A 60 11.193 5.031 -0.770 1.00 0.00 C ATOM 932 C VAL A 60 10.273 5.976 -0.023 1.00 0.00 C ATOM 933 O VAL A 60 10.689 6.839 0.740 1.00 0.00 O ATOM 934 CB VAL A 60 11.638 3.914 0.161 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.822 4.457 1.571 1.00 0.00 C ATOM 936 CG2 VAL A 60 10.595 2.800 0.175 1.00 0.00 C ATOM 0 H VAL A 60 13.236 5.515 -0.865 1.00 0.00 H new ATOM 0 HA VAL A 60 10.664 4.591 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 60 12.586 3.513 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.141 3.651 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.579 5.241 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.878 4.868 1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.922 2.004 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.642 3.198 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.475 2.401 -0.832 1.00 0.00 H new ATOM 946 N LEU A 61 9.001 5.712 -0.283 1.00 0.00 N ATOM 947 CA LEU A 61 7.977 6.521 0.329 1.00 0.00 C ATOM 948 C LEU A 61 6.973 5.664 1.057 1.00 0.00 C ATOM 949 O LEU A 61 6.835 4.467 0.839 1.00 0.00 O ATOM 950 CB LEU A 61 7.280 7.348 -0.741 1.00 0.00 C ATOM 951 CG LEU A 61 8.310 8.028 -1.622 1.00 0.00 C ATOM 952 CD1 LEU A 61 7.645 8.971 -2.621 1.00 0.00 C ATOM 953 CD2 LEU A 61 9.291 8.774 -0.732 1.00 0.00 C ATOM 0 H LEU A 61 8.667 4.967 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 61 8.444 7.183 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.637 6.708 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.638 8.095 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 61 8.844 7.277 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.408 9.444 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.963 8.406 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.088 9.738 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.039 9.269 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.755 9.519 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.783 8.069 -0.062 1.00 0.00 H new ATOM 965 N HIS A 62 6.285 6.389 1.938 1.00 0.00 N ATOM 966 CA HIS A 62 5.270 5.725 2.740 1.00 0.00 C ATOM 967 C HIS A 62 4.106 6.681 3.003 1.00 0.00 C ATOM 968 O HIS A 62 4.160 7.508 3.889 1.00 0.00 O ATOM 969 CB HIS A 62 5.876 5.281 4.076 1.00 0.00 C ATOM 970 CG HIS A 62 7.071 4.383 3.848 1.00 0.00 C ATOM 971 ND1 HIS A 62 7.060 3.048 4.052 1.00 0.00 N ATOM 972 CD2 HIS A 62 8.368 4.752 3.445 1.00 0.00 C ATOM 973 CE1 HIS A 62 8.302 2.612 3.787 1.00 0.00 C ATOM 974 NE2 HIS A 62 9.111 3.622 3.418 1.00 0.00 N ATOM 0 H HIS A 62 6.405 7.388 2.108 1.00 0.00 H new ATOM 0 HA HIS A 62 4.904 4.853 2.198 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.177 6.155 4.653 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.125 4.753 4.664 1.00 0.00 H new ATOM 0 HD1 HIS A 62 6.265 2.482 4.349 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.706 5.749 3.203 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.613 1.580 3.861 1.00 0.00 H new ATOM 982 N TYR A 63 3.060 6.514 2.176 1.00 0.00 N ATOM 983 CA TYR A 63 1.889 7.351 2.355 1.00 0.00 C ATOM 984 C TYR A 63 0.976 6.724 3.408 1.00 0.00 C ATOM 985 O TYR A 63 0.922 5.512 3.571 1.00 0.00 O ATOM 986 CB TYR A 63 1.131 7.440 1.030 1.00 0.00 C ATOM 987 CG TYR A 63 1.886 8.218 0.004 1.00 0.00 C ATOM 988 CD1 TYR A 63 2.092 9.610 0.155 1.00 0.00 C ATOM 989 CD2 TYR A 63 2.412 7.562 -1.132 1.00 0.00 C ATOM 990 CE1 TYR A 63 2.820 10.324 -0.814 1.00 0.00 C ATOM 991 CE2 TYR A 63 3.138 8.279 -2.100 1.00 0.00 C ATOM 992 CZ TYR A 63 3.342 9.663 -1.943 1.00 0.00 C ATOM 993 OH TYR A 63 4.053 10.371 -2.889 1.00 0.00 O ATOM 0 H TYR A 63 3.010 5.837 1.415 1.00 0.00 H new ATOM 0 HA TYR A 63 2.195 8.346 2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.939 6.435 0.654 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.161 7.908 1.198 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.690 10.125 1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.255 6.501 -1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.980 11.385 -0.692 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.539 7.768 -2.963 1.00 0.00 H new ATOM 0 HH TYR A 63 5.013 10.238 -2.744 1.00 0.00 H new ATOM 1003 N ARG A 64 0.263 7.628 4.105 1.00 0.00 N ATOM 1004 CA ARG A 64 -0.669 7.145 5.115 1.00 0.00 C ATOM 1005 C ARG A 64 -2.011 6.888 4.436 1.00 0.00 C ATOM 1006 O ARG A 64 -2.414 7.604 3.532 1.00 0.00 O ATOM 1007 CB ARG A 64 -0.828 8.170 6.239 1.00 0.00 C ATOM 1008 CG ARG A 64 -0.470 9.587 5.783 1.00 0.00 C ATOM 1009 CD ARG A 64 -0.915 10.639 6.800 1.00 0.00 C ATOM 1010 NE ARG A 64 -0.113 10.549 8.005 1.00 0.00 N ATOM 1011 CZ ARG A 64 -0.346 11.424 9.002 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -1.296 12.347 8.872 1.00 0.00 N ATOM 1013 NH2 ARG A 64 0.377 11.368 10.117 1.00 0.00 N ATOM 0 H ARG A 64 0.314 8.640 3.992 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.290 6.225 5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.857 8.155 6.600 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.192 7.888 7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.607 9.659 5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.941 9.789 4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.822 11.635 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.967 10.495 7.045 1.00 0.00 H new ATOM 0 HE ARG A 64 0.612 9.838 8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.849 12.393 8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.471 13.009 9.628 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.107 10.663 10.216 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.201 12.030 10.873 1.00 0.00 H new ATOM 1027 N ILE A 65 -2.676 5.831 4.935 1.00 0.00 N ATOM 1028 CA ILE A 65 -3.960 5.487 4.335 1.00 0.00 C ATOM 1029 C ILE A 65 -4.891 4.845 5.365 1.00 0.00 C ATOM 1030 O ILE A 65 -4.587 3.820 5.963 1.00 0.00 O ATOM 1031 CB ILE A 65 -3.724 4.519 3.172 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -3.341 5.282 1.906 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -4.970 3.671 2.910 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -1.956 4.882 1.404 1.00 0.00 C ATOM 0 H ILE A 65 -2.365 5.238 5.704 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.436 6.398 3.972 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.902 3.858 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.080 5.090 1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.360 6.353 2.107 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.779 2.991 2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.212 3.095 3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.808 4.322 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.719 5.446 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.214 5.098 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.945 3.816 1.179 1.00 0.00 H new ATOM 1046 N ASP A 66 -6.046 5.522 5.523 1.00 0.00 N ATOM 1047 CA ASP A 66 -7.041 4.999 6.438 1.00 0.00 C ATOM 1048 C ASP A 66 -8.423 5.411 5.960 1.00 0.00 C ATOM 1049 O ASP A 66 -8.589 6.136 4.991 1.00 0.00 O ATOM 1050 CB ASP A 66 -6.801 5.525 7.840 1.00 0.00 C ATOM 1051 CG ASP A 66 -7.622 4.718 8.849 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -7.612 3.491 8.765 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -8.262 5.326 9.706 1.00 0.00 O ATOM 0 H ASP A 66 -6.293 6.390 5.047 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.969 3.912 6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.741 5.459 8.086 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.076 6.578 7.894 1.00 0.00 H new ATOM 1058 N LYS A 67 -9.394 4.920 6.736 1.00 0.00 N ATOM 1059 CA LYS A 67 -10.772 5.208 6.400 1.00 0.00 C ATOM 1060 C LYS A 67 -11.202 6.518 7.061 1.00 0.00 C ATOM 1061 O LYS A 67 -10.414 7.435 7.258 1.00 0.00 O ATOM 1062 CB LYS A 67 -11.648 4.051 6.878 1.00 0.00 C ATOM 1063 CG LYS A 67 -11.572 3.899 8.394 1.00 0.00 C ATOM 1064 CD LYS A 67 -11.226 2.466 8.801 1.00 0.00 C ATOM 1065 CE LYS A 67 -12.366 1.501 8.475 1.00 0.00 C ATOM 1066 NZ LYS A 67 -11.989 0.108 8.674 1.00 0.00 N ATOM 0 H LYS A 67 -9.252 4.345 7.566 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.880 5.318 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.681 4.224 6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.328 3.126 6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.821 4.582 8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.527 4.183 8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.320 2.149 8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.013 2.431 9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.227 1.735 9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.677 1.646 7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.795 -0.507 8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.185 -0.126 8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.718 -0.040 9.667 1.00 0.00 H new ATOM 1080 N ASP A 68 -12.506 6.533 7.386 1.00 0.00 N ATOM 1081 CA ASP A 68 -13.057 7.715 8.020 1.00 0.00 C ATOM 1082 C ASP A 68 -14.244 7.306 8.884 1.00 0.00 C ATOM 1083 O ASP A 68 -15.341 7.838 8.770 1.00 0.00 O ATOM 1084 CB ASP A 68 -13.505 8.689 6.938 1.00 0.00 C ATOM 1085 CG ASP A 68 -12.584 9.910 6.922 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -11.384 9.744 7.136 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -13.078 11.014 6.697 1.00 0.00 O ATOM 0 H ASP A 68 -13.164 5.770 7.224 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.307 8.196 8.648 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.489 8.198 5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.533 9.001 7.121 1.00 0.00 H new ATOM 1092 N LYS A 69 -13.948 6.320 9.750 1.00 0.00 N ATOM 1093 CA LYS A 69 -15.006 5.806 10.614 1.00 0.00 C ATOM 1094 C LYS A 69 -16.306 5.668 9.820 1.00 0.00 C ATOM 1095 O LYS A 69 -17.406 5.873 10.317 1.00 0.00 O ATOM 1096 CB LYS A 69 -15.193 6.728 11.815 1.00 0.00 C ATOM 1097 CG LYS A 69 -13.903 6.856 12.624 1.00 0.00 C ATOM 1098 CD LYS A 69 -13.159 5.522 12.699 1.00 0.00 C ATOM 1099 CE LYS A 69 -11.941 5.607 13.621 1.00 0.00 C ATOM 1100 NZ LYS A 69 -11.207 4.350 13.691 1.00 0.00 N ATOM 0 H LYS A 69 -13.032 5.886 9.863 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.724 4.820 10.983 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.510 7.713 11.474 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.988 6.341 12.453 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.259 7.609 12.169 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.136 7.202 13.631 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.836 4.747 13.060 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.840 5.226 11.700 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.275 6.394 13.267 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.266 5.891 14.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.392 4.459 14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.832 3.603 14.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.872 4.090 12.741 1.00 0.00 H new ATOM 1114 N THR A 70 -16.079 5.308 8.551 1.00 0.00 N ATOM 1115 CA THR A 70 -17.176 5.107 7.647 1.00 0.00 C ATOM 1116 C THR A 70 -17.163 3.652 7.173 1.00 0.00 C ATOM 1117 O THR A 70 -18.192 3.054 6.885 1.00 0.00 O ATOM 1118 CB THR A 70 -16.964 6.042 6.467 1.00 0.00 C ATOM 1119 OG1 THR A 70 -17.628 7.258 6.702 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.447 5.430 5.164 1.00 0.00 C ATOM 0 H THR A 70 -15.154 5.156 8.148 1.00 0.00 H new ATOM 0 HA THR A 70 -18.133 5.313 8.126 1.00 0.00 H new ATOM 0 HB THR A 70 -15.893 6.218 6.369 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.124 7.785 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.277 6.132 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.899 4.508 4.970 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.512 5.211 5.238 1.00 0.00 H new ATOM 1128 N GLY A 71 -15.919 3.133 7.117 1.00 0.00 N ATOM 1129 CA GLY A 71 -15.757 1.773 6.666 1.00 0.00 C ATOM 1130 C GLY A 71 -14.938 1.674 5.370 1.00 0.00 C ATOM 1131 O GLY A 71 -14.443 0.615 5.003 1.00 0.00 O ATOM 0 H GLY A 71 -15.061 3.623 7.370 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -15.267 1.191 7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.739 1.328 6.506 1.00 0.00 H new ATOM 1135 N LYS A 72 -14.833 2.840 4.711 1.00 0.00 N ATOM 1136 CA LYS A 72 -14.092 2.866 3.461 1.00 0.00 C ATOM 1137 C LYS A 72 -12.703 3.440 3.704 1.00 0.00 C ATOM 1138 O LYS A 72 -12.518 4.367 4.478 1.00 0.00 O ATOM 1139 CB LYS A 72 -14.836 3.713 2.431 1.00 0.00 C ATOM 1140 CG LYS A 72 -16.203 3.122 2.088 1.00 0.00 C ATOM 1141 CD LYS A 72 -16.760 3.721 0.796 1.00 0.00 C ATOM 1142 CE LYS A 72 -16.914 5.238 0.904 1.00 0.00 C ATOM 1143 NZ LYS A 72 -17.159 5.865 -0.389 1.00 0.00 N ATOM 0 H LYS A 72 -15.233 3.729 5.011 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.998 1.850 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.964 4.724 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.236 3.791 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.118 2.040 1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.898 3.309 2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.096 3.480 -0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.727 3.271 0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.738 5.470 1.579 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.012 5.662 1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.256 6.893 -0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.362 5.668 -1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.034 5.482 -0.800 1.00 0.00 H new ATOM 1157 N LEU A 73 -11.746 2.841 2.976 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.383 3.302 3.118 1.00 0.00 C ATOM 1159 C LEU A 73 -10.220 4.572 2.293 1.00 0.00 C ATOM 1160 O LEU A 73 -10.985 4.844 1.378 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.433 2.218 2.620 1.00 0.00 C ATOM 1162 CG LEU A 73 -9.609 0.914 3.394 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -8.475 -0.056 3.065 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -9.652 1.191 4.897 1.00 0.00 C ATOM 0 H LEU A 73 -11.892 2.075 2.318 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.153 3.514 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.610 2.038 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.404 2.563 2.718 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.553 0.458 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.614 -0.981 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.480 -0.273 1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.521 0.394 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.778 0.252 5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.721 1.665 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.488 1.853 5.121 1.00 0.00 H new ATOM 1176 N SER A 74 -9.185 5.330 2.676 1.00 0.00 N ATOM 1177 CA SER A 74 -8.948 6.566 1.955 1.00 0.00 C ATOM 1178 C SER A 74 -7.562 7.109 2.285 1.00 0.00 C ATOM 1179 O SER A 74 -6.721 6.436 2.869 1.00 0.00 O ATOM 1180 CB SER A 74 -10.022 7.583 2.332 1.00 0.00 C ATOM 1181 OG SER A 74 -9.957 7.887 3.703 1.00 0.00 O ATOM 0 H SER A 74 -8.538 5.120 3.436 1.00 0.00 H new ATOM 0 HA SER A 74 -8.995 6.376 0.883 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.891 8.493 1.746 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.008 7.186 2.088 1.00 0.00 H new ATOM 0 HG SER A 74 -9.341 7.267 4.147 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.399 8.379 1.876 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.125 9.035 2.104 1.00 0.00 C ATOM 1189 C ILE A 75 -6.361 10.537 2.266 1.00 0.00 C ATOM 1190 O ILE A 75 -7.183 11.134 1.581 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.227 8.782 0.895 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.238 7.302 0.523 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -3.795 9.253 1.150 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.087 6.957 -0.425 1.00 0.00 C ATOM 0 H ILE A 75 -8.108 8.942 1.406 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.650 8.646 3.005 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.625 9.361 0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.161 6.697 1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.188 7.051 0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.185 9.057 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.796 10.323 1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.382 8.716 2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.123 5.896 -0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.180 7.544 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.137 7.185 0.058 1.00 0.00 H new ATOM 1206 N PRO A 76 -5.596 11.122 3.213 1.00 0.00 N ATOM 1207 CA PRO A 76 -5.669 12.543 3.487 1.00 0.00 C ATOM 1208 C PRO A 76 -5.476 13.357 2.210 1.00 0.00 C ATOM 1209 O PRO A 76 -6.364 14.060 1.743 1.00 0.00 O ATOM 1210 CB PRO A 76 -4.537 12.830 4.477 1.00 0.00 C ATOM 1211 CG PRO A 76 -3.916 11.475 4.858 1.00 0.00 C ATOM 1212 CD PRO A 76 -4.629 10.406 4.026 1.00 0.00 C ATOM 0 HA PRO A 76 -6.643 12.819 3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.789 13.484 4.028 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.918 13.341 5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.845 11.471 4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.039 11.280 5.923 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.922 9.859 3.403 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.121 9.675 4.667 1.00 0.00 H new ATOM 1220 N GLU A 77 -4.251 13.205 1.689 1.00 0.00 N ATOM 1221 CA GLU A 77 -3.919 13.907 0.461 1.00 0.00 C ATOM 1222 C GLU A 77 -4.275 13.039 -0.757 1.00 0.00 C ATOM 1223 O GLU A 77 -4.667 13.534 -1.806 1.00 0.00 O ATOM 1224 CB GLU A 77 -2.431 14.245 0.460 1.00 0.00 C ATOM 1225 CG GLU A 77 -2.048 15.099 1.670 1.00 0.00 C ATOM 1226 CD GLU A 77 -1.183 14.281 2.631 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -1.701 13.342 3.232 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -0.001 14.594 2.768 1.00 0.00 O ATOM 0 H GLU A 77 -3.509 12.627 2.084 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.495 14.831 0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.848 13.324 0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.179 14.778 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.505 15.986 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.946 15.446 2.181 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.110 11.716 -0.541 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.404 10.784 -1.619 1.00 0.00 C ATOM 1237 C GLY A 78 -5.833 10.973 -2.143 1.00 0.00 C ATOM 1238 O GLY A 78 -6.206 12.025 -2.646 1.00 0.00 O ATOM 0 H GLY A 78 -3.790 11.296 0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.694 10.930 -2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.277 9.761 -1.264 1.00 0.00 H new ATOM 1242 N LYS A 79 -6.599 9.875 -1.986 1.00 0.00 N ATOM 1243 CA LYS A 79 -7.976 9.911 -2.437 1.00 0.00 C ATOM 1244 C LYS A 79 -8.879 9.225 -1.405 1.00 0.00 C ATOM 1245 O LYS A 79 -8.716 9.358 -0.198 1.00 0.00 O ATOM 1246 CB LYS A 79 -8.066 9.201 -3.785 1.00 0.00 C ATOM 1247 CG LYS A 79 -9.196 9.759 -4.647 1.00 0.00 C ATOM 1248 CD LYS A 79 -8.749 11.015 -5.395 1.00 0.00 C ATOM 1249 CE LYS A 79 -9.801 11.477 -6.404 1.00 0.00 C ATOM 1250 NZ LYS A 79 -9.429 12.722 -7.066 1.00 0.00 N ATOM 0 H LYS A 79 -6.293 8.996 -1.568 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.309 10.943 -2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.119 9.306 -4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.225 8.135 -3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.520 9.002 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.055 9.993 -4.019 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.555 11.815 -4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.811 10.816 -5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.947 10.700 -7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.755 11.611 -5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.174 12.993 -7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.315 13.473 -6.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.532 12.590 -7.576 1.00 0.00 H new ATOM 1264 N LYS A 80 -9.833 8.487 -1.988 1.00 0.00 N ATOM 1265 CA LYS A 80 -10.788 7.754 -1.165 1.00 0.00 C ATOM 1266 C LYS A 80 -11.265 6.527 -1.946 1.00 0.00 C ATOM 1267 O LYS A 80 -11.622 6.611 -3.114 1.00 0.00 O ATOM 1268 CB LYS A 80 -11.966 8.661 -0.813 1.00 0.00 C ATOM 1269 CG LYS A 80 -12.564 9.315 -2.059 1.00 0.00 C ATOM 1270 CD LYS A 80 -13.868 10.046 -1.737 1.00 0.00 C ATOM 1271 CE LYS A 80 -13.626 11.265 -0.845 1.00 0.00 C ATOM 1272 NZ LYS A 80 -14.869 11.909 -0.439 1.00 0.00 N ATOM 0 H LYS A 80 -9.959 8.386 -2.995 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.318 7.430 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.734 8.080 -0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.636 9.434 -0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.846 10.018 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.750 8.554 -2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.347 10.362 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.556 9.362 -1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.071 10.959 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.004 11.984 -1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.654 12.729 0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.388 12.226 -1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.453 11.232 0.093 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.248 5.383 -1.229 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.654 4.164 -1.884 1.00 0.00 C ATOM 1288 C PHE A 81 -12.402 3.239 -0.924 1.00 0.00 C ATOM 1289 O PHE A 81 -12.485 3.461 0.282 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.405 3.470 -2.377 1.00 0.00 C ATOM 1291 CG PHE A 81 -9.799 4.196 -3.539 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.292 3.984 -4.848 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.721 5.094 -3.340 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -9.714 4.660 -5.947 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.144 5.769 -4.439 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.640 5.552 -5.741 1.00 0.00 C ATOM 0 H PHE A 81 -10.971 5.296 -0.251 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.327 4.402 -2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.679 3.406 -1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.646 2.448 -2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -11.114 3.302 -5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.339 5.263 -2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.094 4.494 -6.944 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.322 6.452 -4.282 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.198 6.068 -6.580 1.00 0.00 H new ATOM 1306 N ASP A 82 -12.914 2.168 -1.559 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.651 1.181 -0.793 1.00 0.00 C ATOM 1308 C ASP A 82 -12.668 0.307 -0.015 1.00 0.00 C ATOM 1309 O ASP A 82 -12.801 0.097 1.184 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.492 0.328 -1.740 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.395 -0.608 -0.934 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -15.069 -0.891 0.217 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -16.415 -1.043 -1.467 1.00 0.00 O ATOM 0 H ASP A 82 -12.830 1.979 -2.558 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.315 1.679 -0.086 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.097 0.969 -2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.842 -0.253 -2.394 1.00 0.00 H new ATOM 1318 N THR A 83 -11.671 -0.186 -0.779 1.00 0.00 N ATOM 1319 CA THR A 83 -10.676 -1.023 -0.157 1.00 0.00 C ATOM 1320 C THR A 83 -9.351 -0.785 -0.864 1.00 0.00 C ATOM 1321 O THR A 83 -9.283 -0.164 -1.917 1.00 0.00 O ATOM 1322 CB THR A 83 -11.094 -2.487 -0.274 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.326 -2.797 -1.626 1.00 0.00 O ATOM 1324 CG2 THR A 83 -12.351 -2.785 0.543 1.00 0.00 C ATOM 0 H THR A 83 -11.551 -0.019 -1.778 1.00 0.00 H new ATOM 0 HA THR A 83 -10.575 -0.782 0.901 1.00 0.00 H new ATOM 0 HB THR A 83 -10.286 -3.102 0.122 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.593 -3.737 -1.705 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.615 -3.837 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.162 -2.566 1.594 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.173 -2.165 0.185 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.309 -1.317 -0.219 1.00 0.00 N ATOM 1333 CA LEU A 84 -7.000 -1.174 -0.772 1.00 0.00 C ATOM 1334 C LEU A 84 -6.873 -1.831 -2.145 1.00 0.00 C ATOM 1335 O LEU A 84 -5.836 -1.774 -2.787 1.00 0.00 O ATOM 1336 CB LEU A 84 -6.072 -1.848 0.203 1.00 0.00 C ATOM 1337 CG LEU A 84 -5.263 -0.848 1.011 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -4.299 -1.581 1.935 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.512 0.095 0.080 1.00 0.00 C ATOM 0 H LEU A 84 -8.362 -1.832 0.660 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.766 -0.120 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.652 -2.475 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.394 -2.507 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.941 -0.254 1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.724 -0.856 2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.862 -2.219 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.621 -2.194 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.936 0.807 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.837 -0.480 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.225 0.634 -0.544 1.00 0.00 H new ATOM 1351 N TRP A 85 -7.980 -2.455 -2.536 1.00 0.00 N ATOM 1352 CA TRP A 85 -7.998 -3.113 -3.831 1.00 0.00 C ATOM 1353 C TRP A 85 -8.339 -2.104 -4.905 1.00 0.00 C ATOM 1354 O TRP A 85 -7.909 -2.192 -6.049 1.00 0.00 O ATOM 1355 CB TRP A 85 -9.063 -4.197 -3.812 1.00 0.00 C ATOM 1356 CG TRP A 85 -8.438 -5.542 -4.090 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -7.921 -5.952 -5.318 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -8.271 -6.624 -3.174 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -7.446 -7.228 -5.205 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -7.641 -7.684 -3.896 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -8.595 -6.780 -1.833 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -7.344 -8.886 -3.266 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -8.296 -8.002 -1.179 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -7.670 -9.057 -1.897 1.00 0.00 C ATOM 0 H TRP A 85 -8.844 -2.517 -1.997 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.020 -3.548 -4.038 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -9.561 -4.212 -2.842 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -9.827 -3.981 -4.559 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -7.899 -5.355 -6.218 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.016 -7.765 -5.958 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -9.072 -5.976 -1.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -6.868 -9.685 -3.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -8.544 -8.131 -0.136 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -7.443 -9.988 -1.400 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.142 -1.143 -4.452 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.553 -0.117 -5.377 1.00 0.00 C ATOM 1377 C GLN A 86 -8.550 1.009 -5.346 1.00 0.00 C ATOM 1378 O GLN A 86 -8.164 1.548 -6.362 1.00 0.00 O ATOM 1379 CB GLN A 86 -10.954 0.374 -5.027 1.00 0.00 C ATOM 1380 CG GLN A 86 -11.875 -0.787 -4.654 1.00 0.00 C ATOM 1381 CD GLN A 86 -13.337 -0.380 -4.860 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -14.177 -1.172 -5.271 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -13.574 0.906 -4.545 1.00 0.00 N ATOM 0 H GLN A 86 -9.500 -1.061 -3.500 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.589 -0.521 -6.389 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.898 1.077 -4.196 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.374 0.915 -5.875 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.642 -1.659 -5.265 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -11.711 -1.073 -3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.814 1.497 -4.209 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.514 1.290 -4.642 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.139 1.323 -4.125 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.163 2.378 -4.024 1.00 0.00 C ATOM 1394 C LEU A 87 -5.864 1.955 -4.703 1.00 0.00 C ATOM 1395 O LEU A 87 -5.102 2.783 -5.175 1.00 0.00 O ATOM 1396 CB LEU A 87 -6.924 2.709 -2.555 1.00 0.00 C ATOM 1397 CG LEU A 87 -5.813 3.738 -2.383 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -5.879 4.358 -0.989 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.448 3.089 -2.613 1.00 0.00 C ATOM 0 H LEU A 87 -8.444 0.893 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.535 3.270 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.845 3.090 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.664 1.799 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.950 4.527 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.080 5.091 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.843 4.849 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.761 3.577 -0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.664 3.836 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.302 2.284 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.404 2.684 -3.624 1.00 0.00 H new ATOM 1411 N VAL A 88 -5.665 0.624 -4.739 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.473 0.133 -5.352 1.00 0.00 C ATOM 1413 C VAL A 88 -4.653 0.071 -6.849 1.00 0.00 C ATOM 1414 O VAL A 88 -3.836 0.556 -7.604 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.179 -1.258 -4.841 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.315 -1.982 -5.856 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.493 -1.199 -3.481 1.00 0.00 C ATOM 0 H VAL A 88 -6.297 -0.082 -4.362 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.649 0.803 -5.109 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.113 -1.804 -4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.097 -2.988 -5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.845 -2.043 -6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.382 -1.436 -5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.290 -2.211 -3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.555 -0.651 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.143 -0.692 -2.767 1.00 0.00 H new ATOM 1427 N GLU A 89 -5.756 -0.594 -7.229 1.00 0.00 N ATOM 1428 CA GLU A 89 -5.975 -0.737 -8.653 1.00 0.00 C ATOM 1429 C GLU A 89 -6.101 0.623 -9.302 1.00 0.00 C ATOM 1430 O GLU A 89 -5.549 0.892 -10.362 1.00 0.00 O ATOM 1431 CB GLU A 89 -7.210 -1.565 -8.905 1.00 0.00 C ATOM 1432 CG GLU A 89 -8.477 -0.900 -8.402 1.00 0.00 C ATOM 1433 CD GLU A 89 -9.273 -0.332 -9.579 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -10.034 -1.081 -10.189 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -9.122 0.853 -9.872 1.00 0.00 O ATOM 0 H GLU A 89 -6.456 -1.009 -6.614 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.120 -1.249 -9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.304 -1.753 -9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.097 -2.535 -8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.084 -1.622 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.226 -0.102 -7.703 1.00 0.00 H new ATOM 1442 N HIS A 90 -6.859 1.460 -8.596 1.00 0.00 N ATOM 1443 CA HIS A 90 -7.053 2.793 -9.131 1.00 0.00 C ATOM 1444 C HIS A 90 -5.712 3.429 -9.356 1.00 0.00 C ATOM 1445 O HIS A 90 -5.365 3.870 -10.437 1.00 0.00 O ATOM 1446 CB HIS A 90 -7.862 3.640 -8.167 1.00 0.00 C ATOM 1447 CG HIS A 90 -8.556 4.742 -8.930 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -9.728 4.586 -9.584 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -8.134 6.071 -9.098 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -10.016 5.777 -10.135 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -9.069 6.690 -9.856 1.00 0.00 N ATOM 0 H HIS A 90 -7.320 1.254 -7.710 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.597 2.724 -10.073 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.596 3.022 -7.650 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.210 4.065 -7.404 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -7.234 6.515 -8.698 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.897 5.976 -10.727 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -9.057 7.664 -10.158 1.00 0.00 H new ATOM 1459 N TYR A 91 -5.003 3.454 -8.244 1.00 0.00 N ATOM 1460 CA TYR A 91 -3.680 4.030 -8.283 1.00 0.00 C ATOM 1461 C TYR A 91 -2.813 3.269 -9.282 1.00 0.00 C ATOM 1462 O TYR A 91 -1.851 3.799 -9.821 1.00 0.00 O ATOM 1463 CB TYR A 91 -3.071 4.015 -6.897 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.451 5.269 -6.154 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -4.752 5.816 -6.305 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -2.525 5.921 -5.303 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -5.122 6.989 -5.616 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -2.899 7.100 -4.613 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.196 7.630 -4.770 1.00 0.00 C ATOM 1470 OH TYR A 91 -4.560 8.778 -4.096 1.00 0.00 O ATOM 0 H TYR A 91 -5.307 3.097 -7.338 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.742 5.067 -8.612 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.416 3.139 -6.349 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.986 3.939 -6.968 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.465 5.329 -6.954 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.531 5.518 -5.180 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.115 7.396 -5.737 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.190 7.594 -3.966 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.777 8.557 -3.166 1.00 0.00 H new ATOM 1480 N SER A 92 -3.207 1.997 -9.512 1.00 0.00 N ATOM 1481 CA SER A 92 -2.462 1.233 -10.496 1.00 0.00 C ATOM 1482 C SER A 92 -2.537 1.951 -11.849 1.00 0.00 C ATOM 1483 O SER A 92 -1.811 1.656 -12.791 1.00 0.00 O ATOM 1484 CB SER A 92 -3.098 -0.129 -10.605 1.00 0.00 C ATOM 1485 OG SER A 92 -2.128 -1.144 -10.626 1.00 0.00 O ATOM 0 H SER A 92 -3.984 1.517 -9.058 1.00 0.00 H new ATOM 0 HA SER A 92 -1.417 1.137 -10.202 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.774 -0.286 -9.764 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.701 -0.180 -11.512 1.00 0.00 H new ATOM 0 HG SER A 92 -2.569 -2.016 -10.695 1.00 0.00 H new ATOM 1491 N TYR A 93 -3.477 2.912 -11.857 1.00 0.00 N ATOM 1492 CA TYR A 93 -3.704 3.692 -13.046 1.00 0.00 C ATOM 1493 C TYR A 93 -2.790 4.895 -13.014 1.00 0.00 C ATOM 1494 O TYR A 93 -1.989 5.136 -13.905 1.00 0.00 O ATOM 1495 CB TYR A 93 -5.149 4.181 -13.050 1.00 0.00 C ATOM 1496 CG TYR A 93 -6.140 3.059 -12.899 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -5.753 1.713 -13.123 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -7.476 3.342 -12.530 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -6.692 0.667 -12.983 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -8.416 2.295 -12.391 1.00 0.00 C ATOM 1501 CZ TYR A 93 -8.024 0.958 -12.617 1.00 0.00 C ATOM 1502 OH TYR A 93 -8.941 -0.064 -12.482 1.00 0.00 O ATOM 0 H TYR A 93 -4.071 3.150 -11.063 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.510 3.088 -13.933 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -5.289 4.896 -12.239 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.346 4.712 -13.981 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.735 1.487 -13.402 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.780 4.363 -12.354 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.391 -0.356 -13.156 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.435 2.518 -12.112 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.810 0.308 -12.225 1.00 0.00 H new ATOM 1512 N LYS A 94 -3.033 5.649 -11.934 1.00 0.00 N ATOM 1513 CA LYS A 94 -2.278 6.839 -11.698 1.00 0.00 C ATOM 1514 C LYS A 94 -1.802 6.917 -10.264 1.00 0.00 C ATOM 1515 O LYS A 94 -2.043 6.058 -9.426 1.00 0.00 O ATOM 1516 CB LYS A 94 -3.197 8.003 -11.930 1.00 0.00 C ATOM 1517 CG LYS A 94 -4.527 7.815 -11.186 1.00 0.00 C ATOM 1518 CD LYS A 94 -5.540 8.897 -11.562 1.00 0.00 C ATOM 1519 CE LYS A 94 -6.378 8.482 -12.772 1.00 0.00 C ATOM 1520 NZ LYS A 94 -7.378 9.483 -13.124 1.00 0.00 N ATOM 0 H LYS A 94 -3.742 5.442 -11.231 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.410 6.845 -12.358 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.716 8.922 -11.595 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.387 8.113 -12.998 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.939 6.833 -11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.350 7.840 -10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.196 9.094 -10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.016 9.827 -11.782 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.721 8.313 -13.625 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.874 7.535 -12.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.920 9.157 -13.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.023 9.627 -12.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.905 10.380 -13.353 1.00 0.00 H new ATOM 1534 N ALA A 95 -1.115 8.038 -10.069 1.00 0.00 N ATOM 1535 CA ALA A 95 -0.598 8.336 -8.746 1.00 0.00 C ATOM 1536 C ALA A 95 -1.732 8.923 -7.898 1.00 0.00 C ATOM 1537 O ALA A 95 -1.936 8.560 -6.749 1.00 0.00 O ATOM 1538 CB ALA A 95 0.559 9.326 -8.858 1.00 0.00 C ATOM 0 H ALA A 95 -0.910 8.733 -10.787 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.226 7.428 -8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.945 9.548 -7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.352 8.892 -9.467 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.207 10.246 -9.324 1.00 0.00 H new ATOM 1544 N ASP A 96 -2.459 9.845 -8.558 1.00 0.00 N ATOM 1545 CA ASP A 96 -3.581 10.488 -7.873 1.00 0.00 C ATOM 1546 C ASP A 96 -3.104 11.492 -6.824 1.00 0.00 C ATOM 1547 O ASP A 96 -3.867 12.290 -6.294 1.00 0.00 O ATOM 1548 CB ASP A 96 -4.450 9.429 -7.224 1.00 0.00 C ATOM 1549 CG ASP A 96 -5.821 9.396 -7.899 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -6.584 10.344 -7.727 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -6.109 8.422 -8.590 1.00 0.00 O ATOM 0 H ASP A 96 -2.297 10.146 -9.519 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.160 11.039 -8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.971 8.453 -7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.563 9.641 -6.161 1.00 0.00 H new ATOM 1556 N GLY A 97 -1.806 11.390 -6.572 1.00 0.00 N ATOM 1557 CA GLY A 97 -1.207 12.279 -5.593 1.00 0.00 C ATOM 1558 C GLY A 97 0.158 11.770 -5.099 1.00 0.00 C ATOM 1559 O GLY A 97 0.939 12.511 -4.516 1.00 0.00 O ATOM 0 H GLY A 97 -1.170 10.726 -7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.086 13.270 -6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.881 12.387 -4.743 1.00 0.00 H new ATOM 1563 N LEU A 98 0.387 10.464 -5.357 1.00 0.00 N ATOM 1564 CA LEU A 98 1.647 9.891 -4.933 1.00 0.00 C ATOM 1565 C LEU A 98 2.779 10.709 -5.539 1.00 0.00 C ATOM 1566 O LEU A 98 2.611 11.848 -5.956 1.00 0.00 O ATOM 1567 CB LEU A 98 1.753 8.457 -5.446 1.00 0.00 C ATOM 1568 CG LEU A 98 0.512 7.638 -5.140 1.00 0.00 C ATOM 1569 CD1 LEU A 98 0.506 6.366 -5.966 1.00 0.00 C ATOM 1570 CD2 LEU A 98 0.453 7.309 -3.654 1.00 0.00 C ATOM 0 H LEU A 98 -0.256 9.830 -5.832 1.00 0.00 H new ATOM 0 HA LEU A 98 1.708 9.898 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.919 8.471 -6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.622 7.977 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.369 8.224 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.389 5.788 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.512 6.620 -7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.390 5.774 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.441 6.721 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.337 6.736 -3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.421 8.234 -3.078 1.00 0.00 H new ATOM 1582 N LEU A 99 3.939 10.037 -5.571 1.00 0.00 N ATOM 1583 CA LEU A 99 5.087 10.667 -6.179 1.00 0.00 C ATOM 1584 C LEU A 99 5.020 10.378 -7.685 1.00 0.00 C ATOM 1585 O LEU A 99 5.245 11.239 -8.527 1.00 0.00 O ATOM 1586 CB LEU A 99 6.359 10.103 -5.557 1.00 0.00 C ATOM 1587 CG LEU A 99 7.392 11.197 -5.292 1.00 0.00 C ATOM 1588 CD1 LEU A 99 7.543 12.095 -6.517 1.00 0.00 C ATOM 1589 CD2 LEU A 99 6.987 12.028 -4.073 1.00 0.00 C ATOM 0 H LEU A 99 4.091 9.100 -5.198 1.00 0.00 H new ATOM 0 HA LEU A 99 5.092 11.744 -6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 99 6.114 9.599 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.787 9.352 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 99 8.352 10.723 -5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.282 12.869 -6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.870 11.498 -7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.585 12.561 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.733 12.803 -3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.017 12.492 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.922 11.382 -3.198 1.00 0.00 H new ATOM 1601 N ARG A 100 4.685 9.095 -7.946 1.00 0.00 N ATOM 1602 CA ARG A 100 4.534 8.650 -9.313 1.00 0.00 C ATOM 1603 C ARG A 100 3.596 7.441 -9.316 1.00 0.00 C ATOM 1604 O ARG A 100 3.538 6.671 -8.366 1.00 0.00 O ATOM 1605 CB ARG A 100 5.892 8.265 -9.871 1.00 0.00 C ATOM 1606 CG ARG A 100 5.928 8.341 -11.399 1.00 0.00 C ATOM 1607 CD ARG A 100 5.602 6.992 -12.043 1.00 0.00 C ATOM 1608 NE ARG A 100 6.004 6.989 -13.440 1.00 0.00 N ATOM 1609 CZ ARG A 100 6.247 5.810 -14.044 1.00 0.00 C ATOM 1610 NH1 ARG A 100 6.152 4.674 -13.357 1.00 0.00 N ATOM 1611 NH2 ARG A 100 6.588 5.780 -15.329 1.00 0.00 N ATOM 0 H ARG A 100 4.522 8.381 -7.237 1.00 0.00 H new ATOM 0 HA ARG A 100 4.118 9.443 -9.934 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.654 8.925 -9.457 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.141 7.253 -9.553 1.00 0.00 H new ATOM 0 HG2 ARG A 100 5.214 9.090 -11.743 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.915 8.669 -11.723 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.115 6.193 -11.508 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.533 6.793 -11.965 1.00 0.00 H new ATOM 0 HE ARG A 100 6.100 7.865 -13.954 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.895 4.695 -12.370 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.337 3.783 -13.817 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.665 6.650 -15.857 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.772 4.887 -15.787 1.00 0.00 H new ATOM 1625 N VAL A 101 2.872 7.332 -10.438 1.00 0.00 N ATOM 1626 CA VAL A 101 1.946 6.237 -10.573 1.00 0.00 C ATOM 1627 C VAL A 101 2.602 4.931 -10.123 1.00 0.00 C ATOM 1628 O VAL A 101 3.778 4.867 -9.787 1.00 0.00 O ATOM 1629 CB VAL A 101 1.582 6.106 -12.036 1.00 0.00 C ATOM 1630 CG1 VAL A 101 0.325 5.287 -12.182 1.00 0.00 C ATOM 1631 CG2 VAL A 101 1.404 7.480 -12.688 1.00 0.00 C ATOM 0 H VAL A 101 2.916 7.972 -11.231 1.00 0.00 H new ATOM 0 HA VAL A 101 1.065 6.428 -9.960 1.00 0.00 H new ATOM 0 HB VAL A 101 2.400 5.598 -12.548 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.070 5.197 -13.238 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.487 4.294 -11.762 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.492 5.776 -11.652 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.143 7.353 -13.739 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.608 8.024 -12.179 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.334 8.043 -12.611 1.00 0.00 H new ATOM 1641 N LEU A 102 1.743 3.905 -10.154 1.00 0.00 N ATOM 1642 CA LEU A 102 2.195 2.574 -9.822 1.00 0.00 C ATOM 1643 C LEU A 102 2.214 1.752 -11.096 1.00 0.00 C ATOM 1644 O LEU A 102 1.480 2.007 -12.043 1.00 0.00 O ATOM 1645 CB LEU A 102 1.223 1.933 -8.860 1.00 0.00 C ATOM 1646 CG LEU A 102 1.075 2.700 -7.548 1.00 0.00 C ATOM 1647 CD1 LEU A 102 0.536 4.104 -7.778 1.00 0.00 C ATOM 1648 CD2 LEU A 102 0.134 1.945 -6.626 1.00 0.00 C ATOM 0 H LEU A 102 0.756 3.979 -10.401 1.00 0.00 H new ATOM 0 HA LEU A 102 3.185 2.621 -9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.247 1.855 -9.339 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.554 0.917 -8.643 1.00 0.00 H new ATOM 0 HG LEU A 102 2.062 2.786 -7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.444 4.620 -6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.220 4.655 -8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.443 4.045 -8.254 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.027 2.491 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.842 1.847 -7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.540 0.954 -6.424 1.00 0.00 H new ATOM 1660 N THR A 103 3.095 0.757 -11.054 1.00 0.00 N ATOM 1661 CA THR A 103 3.200 -0.103 -12.195 1.00 0.00 C ATOM 1662 C THR A 103 3.632 -1.520 -11.775 1.00 0.00 C ATOM 1663 O THR A 103 3.291 -2.506 -12.416 1.00 0.00 O ATOM 1664 CB THR A 103 4.212 0.537 -13.129 1.00 0.00 C ATOM 1665 OG1 THR A 103 3.546 1.383 -14.034 1.00 0.00 O ATOM 1666 CG2 THR A 103 5.016 -0.492 -13.891 1.00 0.00 C ATOM 0 H THR A 103 3.715 0.543 -10.273 1.00 0.00 H new ATOM 0 HA THR A 103 2.238 -0.215 -12.695 1.00 0.00 H new ATOM 0 HB THR A 103 4.909 1.111 -12.519 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.725 1.723 -13.620 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.726 0.013 -14.546 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.557 -1.124 -13.188 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.345 -1.108 -14.490 1.00 0.00 H new ATOM 1674 N VAL A 104 4.399 -1.557 -10.665 1.00 0.00 N ATOM 1675 CA VAL A 104 4.885 -2.856 -10.205 1.00 0.00 C ATOM 1676 C VAL A 104 4.824 -2.980 -8.684 1.00 0.00 C ATOM 1677 O VAL A 104 4.961 -2.010 -7.958 1.00 0.00 O ATOM 1678 CB VAL A 104 6.351 -2.979 -10.603 1.00 0.00 C ATOM 1679 CG1 VAL A 104 6.829 -4.429 -10.521 1.00 0.00 C ATOM 1680 CG2 VAL A 104 6.594 -2.429 -12.003 1.00 0.00 C ATOM 0 H VAL A 104 4.677 -0.751 -10.106 1.00 0.00 H new ATOM 0 HA VAL A 104 4.259 -3.629 -10.651 1.00 0.00 H new ATOM 0 HB VAL A 104 6.926 -2.384 -9.894 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.878 -4.483 -10.811 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.716 -4.792 -9.500 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.234 -5.047 -11.194 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.649 -2.532 -12.256 1.00 0.00 H new ATOM 0 HG22 VAL A 104 5.992 -2.985 -12.722 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.314 -1.376 -12.034 1.00 0.00 H new ATOM 1690 N PRO A 105 4.596 -4.244 -8.236 1.00 0.00 N ATOM 1691 CA PRO A 105 4.612 -4.571 -6.821 1.00 0.00 C ATOM 1692 C PRO A 105 6.051 -4.486 -6.301 1.00 0.00 C ATOM 1693 O PRO A 105 6.984 -4.975 -6.925 1.00 0.00 O ATOM 1694 CB PRO A 105 4.096 -6.001 -6.710 1.00 0.00 C ATOM 1695 CG PRO A 105 3.853 -6.506 -8.143 1.00 0.00 C ATOM 1696 CD PRO A 105 4.183 -5.347 -9.091 1.00 0.00 C ATOM 0 HA PRO A 105 3.998 -3.886 -6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.820 -6.633 -6.196 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.175 -6.034 -6.128 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.481 -7.371 -8.358 1.00 0.00 H new ATOM 0 HG3 PRO A 105 2.818 -6.824 -8.269 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.977 -5.623 -9.785 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.316 -5.073 -9.692 1.00 0.00 H new ATOM 1704 N CYS A 106 6.172 -3.839 -5.136 1.00 0.00 N ATOM 1705 CA CYS A 106 7.510 -3.647 -4.606 1.00 0.00 C ATOM 1706 C CYS A 106 7.919 -4.773 -3.664 1.00 0.00 C ATOM 1707 O CYS A 106 9.051 -5.241 -3.684 1.00 0.00 O ATOM 1708 CB CYS A 106 7.583 -2.292 -3.911 1.00 0.00 C ATOM 1709 SG CYS A 106 9.184 -1.477 -4.121 1.00 0.00 S ATOM 0 H CYS A 106 5.406 -3.463 -4.577 1.00 0.00 H new ATOM 0 HA CYS A 106 8.218 -3.668 -5.435 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.798 -1.646 -4.303 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.385 -2.424 -2.847 1.00 0.00 H new ATOM 0 HG CYS A 106 10.038 -2.320 -4.622 1.00 0.00 H new ATOM 1715 N GLN A 107 6.944 -5.174 -2.839 1.00 0.00 N ATOM 1716 CA GLN A 107 7.236 -6.212 -1.898 1.00 0.00 C ATOM 1717 C GLN A 107 8.002 -7.343 -2.555 1.00 0.00 C ATOM 1718 O GLN A 107 8.207 -7.398 -3.762 1.00 0.00 O ATOM 1719 CB GLN A 107 5.941 -6.721 -1.314 1.00 0.00 C ATOM 1720 CG GLN A 107 6.050 -6.863 0.194 1.00 0.00 C ATOM 1721 CD GLN A 107 6.668 -8.213 0.561 1.00 0.00 C ATOM 1722 OE1 GLN A 107 6.592 -9.184 -0.181 1.00 0.00 O ATOM 1723 NE2 GLN A 107 7.278 -8.202 1.759 1.00 0.00 N ATOM 0 H GLN A 107 5.994 -4.804 -2.816 1.00 0.00 H new ATOM 0 HA GLN A 107 7.864 -5.808 -1.104 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.131 -6.036 -1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.690 -7.685 -1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.660 -6.055 0.598 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.062 -6.773 0.646 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.295 -7.347 2.315 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.724 -9.049 2.112 1.00 0.00 H new ATOM 1857 N GLU B 3 4.954 10.623 2.936 1.00 0.00 N ATOM 1858 CA GLU B 3 5.049 11.467 1.772 1.00 0.00 C ATOM 1859 C GLU B 3 3.690 12.097 1.529 1.00 0.00 C ATOM 1860 O GLU B 3 2.685 11.693 2.101 1.00 0.00 O ATOM 1861 CB GLU B 3 5.503 10.639 0.599 1.00 0.00 C ATOM 1862 CG GLU B 3 6.916 10.123 0.822 1.00 0.00 C ATOM 1863 CD GLU B 3 7.770 11.158 1.558 1.00 0.00 C ATOM 1864 OE1 GLU B 3 8.149 12.152 0.941 1.00 0.00 O ATOM 1865 OE2 GLU B 3 8.048 10.956 2.739 1.00 0.00 O ATOM 0 HA GLU B 3 5.779 12.264 1.917 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.822 9.800 0.454 1.00 0.00 H new ATOM 0 HB3 GLU B 3 5.468 11.238 -0.311 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.882 9.198 1.398 1.00 0.00 H new ATOM 0 HG3 GLU B 3 7.375 9.884 -0.137 1.00 0.00 H new ATOM 1872 N THR B 4 3.714 13.112 0.657 1.00 0.00 N ATOM 1873 CA THR B 4 2.459 13.782 0.395 1.00 0.00 C ATOM 1874 C THR B 4 1.877 13.328 -0.928 1.00 0.00 C ATOM 1875 O THR B 4 2.431 13.513 -2.004 1.00 0.00 O ATOM 1876 CB THR B 4 2.654 15.291 0.426 1.00 0.00 C ATOM 1877 OG1 THR B 4 1.495 15.907 0.937 1.00 0.00 O ATOM 1878 CG2 THR B 4 2.953 15.849 -0.961 1.00 0.00 C ATOM 0 H THR B 4 4.532 13.461 0.157 1.00 0.00 H new ATOM 0 HA THR B 4 1.747 13.516 1.177 1.00 0.00 H new ATOM 0 HB THR B 4 3.509 15.504 1.068 1.00 0.00 H new ATOM 0 HG1 THR B 4 1.091 15.330 1.618 1.00 0.00 H new ATOM 0 HG21 THR B 4 3.086 16.929 -0.898 1.00 0.00 H new ATOM 0 HG22 THR B 4 3.864 15.393 -1.348 1.00 0.00 H new ATOM 0 HG23 THR B 4 2.123 15.624 -1.630 1.00 0.00 H new ATOM 1886 N LEU B 5 0.713 12.709 -0.732 1.00 0.00 N ATOM 1887 CA LEU B 5 -0.014 12.174 -1.834 1.00 0.00 C ATOM 1888 C LEU B 5 -0.755 13.297 -2.560 1.00 0.00 C ATOM 1889 O LEU B 5 -1.957 13.238 -2.787 1.00 0.00 O ATOM 1890 CB LEU B 5 -0.980 11.145 -1.283 1.00 0.00 C ATOM 1891 CG LEU B 5 -0.708 9.817 -1.930 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.152 8.660 -1.058 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -1.422 9.771 -3.249 1.00 0.00 C ATOM 0 H LEU B 5 0.274 12.577 0.179 1.00 0.00 H new ATOM 0 HA LEU B 5 0.653 11.704 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.868 11.066 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.008 11.453 -1.476 1.00 0.00 H new ATOM 0 HG LEU B 5 0.368 9.715 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.937 7.719 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.616 8.693 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.223 8.735 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -1.234 8.812 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -2.493 9.892 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -1.058 10.576 -3.888 1.00 0.00 H new