USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=23 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 -114:sc= 0.425 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -3.98! C(o=-3.6!,f=-17!) USER MOD Set 2.1: A 17 HIS :FLIP no HD1:sc= -2.62 F(o=-6.2,f=-3.2) USER MOD Set 2.2: A 107 GLN : amide:sc= -0.575 X(o=-3.2,f=-3.5) USER MOD Single : A 25 SER OG : rot -150:sc= -0.117 USER MOD Single : A 27 GLN : amide:sc= -0.0501 X(o=-0.05,f=-0.33) USER MOD Single : A 33 SER OG : rot 80:sc= -2.71! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -81:sc= 0.123 USER MOD Single : A 36 ASN : amide:sc= -10.2! C(o=-10!,f=-13!) USER MOD Single : A 38 LYS NZ :NH3+ -153:sc= -7.24! (180deg=-8.58!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -4.5 K(o=-4.5,f=-5.7!) USER MOD Single : A 59 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0183) USER MOD Single : A 63 TYR OH : rot 150:sc= -0.227 USER MOD Single : A 67 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.00428) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0382) USER MOD Single : A 70 THR OG1 : rot 68:sc= 0.00247 USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= -1.02 (180deg=-1.05) USER MOD Single : A 74 SER OG : rot 29:sc= -1.29! USER MOD Single : A 79 LYS NZ :NH3+ 137:sc= -0.127 (180deg=-0.618) 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 :FLIP amide:sc= -0.73 F(o=-2,f=-0.73) USER MOD Single : A 90 HIS : no HD1:sc= -0.945 X(o=-0.95,f=-1) USER MOD Single : A 91 TYR OH : rot -122:sc= -0.196 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 151:sc= -0.861! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -133:sc= -21.1! USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 209 N TRP A 15 2.788 -7.685 -3.675 1.00 0.00 N ATOM 210 CA TRP A 15 2.758 -6.338 -3.113 1.00 0.00 C ATOM 211 C TRP A 15 1.668 -6.203 -2.038 1.00 0.00 C ATOM 212 O TRP A 15 1.340 -5.105 -1.604 1.00 0.00 O ATOM 213 CB TRP A 15 2.537 -5.299 -4.230 1.00 0.00 C ATOM 214 CG TRP A 15 1.447 -5.748 -5.195 1.00 0.00 C ATOM 215 CD1 TRP A 15 0.455 -6.684 -4.920 1.00 0.00 C ATOM 216 CD2 TRP A 15 1.237 -5.296 -6.535 1.00 0.00 C ATOM 217 NE1 TRP A 15 -0.354 -6.829 -6.010 1.00 0.00 N ATOM 218 CE2 TRP A 15 0.093 -5.991 -7.036 1.00 0.00 C ATOM 219 CE3 TRP A 15 1.909 -4.382 -7.334 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -0.363 -5.760 -8.327 1.00 0.00 C ATOM 221 CZ3 TRP A 15 1.453 -4.138 -8.655 1.00 0.00 C ATOM 222 CH2 TRP A 15 0.316 -4.828 -9.151 1.00 0.00 C ATOM 0 HA TRP A 15 3.721 -6.152 -2.638 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.263 -4.340 -3.789 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.468 -5.145 -4.776 1.00 0.00 H new ATOM 0 HD1 TRP A 15 0.342 -7.215 -3.986 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -1.160 -7.452 -6.067 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.774 -3.860 -6.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -1.229 -6.287 -8.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 1.971 -3.428 -9.283 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.032 -4.643 -10.157 1.00 0.00 H new ATOM 233 N PHE A 16 1.127 -7.371 -1.634 1.00 0.00 N ATOM 234 CA PHE A 16 0.114 -7.331 -0.601 1.00 0.00 C ATOM 235 C PHE A 16 0.403 -8.398 0.440 1.00 0.00 C ATOM 236 O PHE A 16 -0.075 -9.524 0.369 1.00 0.00 O ATOM 237 CB PHE A 16 -1.270 -7.547 -1.191 1.00 0.00 C ATOM 238 CG PHE A 16 -2.331 -7.153 -0.195 1.00 0.00 C ATOM 239 CD1 PHE A 16 -2.447 -7.845 1.040 1.00 0.00 C ATOM 240 CD2 PHE A 16 -3.210 -6.073 -0.460 1.00 0.00 C ATOM 241 CE1 PHE A 16 -3.417 -7.465 1.990 1.00 0.00 C ATOM 242 CE2 PHE A 16 -4.184 -5.695 0.495 1.00 0.00 C ATOM 243 CZ PHE A 16 -4.287 -6.391 1.718 1.00 0.00 C ATOM 0 H PHE A 16 1.367 -8.295 -1.992 1.00 0.00 H new ATOM 0 HA PHE A 16 0.137 -6.347 -0.132 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.380 -6.959 -2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.394 -8.593 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.785 -8.671 1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.136 -5.536 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.493 -7.997 2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.851 -4.871 0.287 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.032 -6.101 2.444 1.00 0.00 H new ATOM 253 N HIS A 17 1.235 -7.973 1.395 1.00 0.00 N ATOM 254 CA HIS A 17 1.554 -8.872 2.475 1.00 0.00 C ATOM 255 C HIS A 17 0.983 -8.285 3.759 1.00 0.00 C ATOM 256 O HIS A 17 1.421 -7.255 4.255 1.00 0.00 O ATOM 257 CB HIS A 17 3.056 -9.048 2.593 1.00 0.00 C ATOM 258 CG HIS A 17 3.515 -10.119 1.631 1.00 0.00 C ATOM 259 ND1 HIS A 17 2.913 -10.514 0.423 1.00 0.00 N flip ATOM 260 CD2 HIS A 17 4.622 -10.873 1.815 1.00 0.00 C flip ATOM 261 CE1 HIS A 17 3.677 -11.503 -0.095 1.00 0.00 C flip ATOM 262 NE2 HIS A 17 4.697 -11.700 0.759 1.00 0.00 N flip ATOM 0 H HIS A 17 1.675 -7.054 1.434 1.00 0.00 H new ATOM 0 HA HIS A 17 1.121 -9.854 2.287 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.561 -8.107 2.375 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.322 -9.323 3.614 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.310 -10.821 2.646 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.501 -12.034 -1.019 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.435 -12.391 0.622 1.00 0.00 H new ATOM 353 N GLU A 23 8.684 -1.720 7.754 1.00 0.00 N ATOM 354 CA GLU A 23 10.056 -1.522 7.392 1.00 0.00 C ATOM 355 C GLU A 23 10.451 -2.656 6.461 1.00 0.00 C ATOM 356 O GLU A 23 11.078 -2.478 5.428 1.00 0.00 O ATOM 357 CB GLU A 23 10.874 -1.561 8.677 1.00 0.00 C ATOM 358 CG GLU A 23 11.390 -2.956 9.021 1.00 0.00 C ATOM 359 CD GLU A 23 12.344 -2.878 10.214 1.00 0.00 C ATOM 360 OE1 GLU A 23 12.078 -2.100 11.129 1.00 0.00 O ATOM 361 OE2 GLU A 23 13.344 -3.595 10.214 1.00 0.00 O ATOM 0 HA GLU A 23 10.224 -0.571 6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.721 -0.881 8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.262 -1.194 9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.554 -3.615 9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.904 -3.386 8.161 1.00 0.00 H new ATOM 368 N GLU A 24 10.023 -3.833 6.931 1.00 0.00 N ATOM 369 CA GLU A 24 10.288 -5.042 6.177 1.00 0.00 C ATOM 370 C GLU A 24 9.927 -4.830 4.697 1.00 0.00 C ATOM 371 O GLU A 24 10.610 -5.290 3.788 1.00 0.00 O ATOM 372 CB GLU A 24 9.466 -6.174 6.779 1.00 0.00 C ATOM 373 CG GLU A 24 9.672 -6.264 8.291 1.00 0.00 C ATOM 374 CD GLU A 24 11.062 -6.828 8.593 1.00 0.00 C ATOM 375 OE1 GLU A 24 11.822 -7.052 7.651 1.00 0.00 O ATOM 376 OE2 GLU A 24 11.370 -7.037 9.765 1.00 0.00 O ATOM 0 H GLU A 24 9.509 -3.964 7.802 1.00 0.00 H new ATOM 0 HA GLU A 24 11.347 -5.295 6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.410 -6.015 6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.748 -7.119 6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.564 -5.277 8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.907 -6.901 8.734 1.00 0.00 H new ATOM 383 N SER A 25 8.812 -4.096 4.523 1.00 0.00 N ATOM 384 CA SER A 25 8.352 -3.831 3.165 1.00 0.00 C ATOM 385 C SER A 25 9.138 -2.674 2.523 1.00 0.00 C ATOM 386 O SER A 25 9.227 -2.560 1.307 1.00 0.00 O ATOM 387 CB SER A 25 6.864 -3.500 3.206 1.00 0.00 C ATOM 388 OG SER A 25 6.662 -2.167 3.602 1.00 0.00 O ATOM 0 H SER A 25 8.244 -3.697 5.270 1.00 0.00 H new ATOM 0 HA SER A 25 8.521 -4.718 2.555 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.423 -3.663 2.223 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.356 -4.171 3.899 1.00 0.00 H new ATOM 0 HG SER A 25 5.805 -2.092 4.072 1.00 0.00 H new ATOM 394 N GLU A 26 9.696 -1.831 3.413 1.00 0.00 N ATOM 395 CA GLU A 26 10.447 -0.697 2.934 1.00 0.00 C ATOM 396 C GLU A 26 11.910 -1.088 2.643 1.00 0.00 C ATOM 397 O GLU A 26 12.628 -0.397 1.928 1.00 0.00 O ATOM 398 CB GLU A 26 10.348 0.381 4.006 1.00 0.00 C ATOM 399 CG GLU A 26 11.660 1.121 4.189 1.00 0.00 C ATOM 400 CD GLU A 26 11.533 2.142 5.321 1.00 0.00 C ATOM 401 OE1 GLU A 26 10.439 2.283 5.865 1.00 0.00 O ATOM 402 OE2 GLU A 26 12.530 2.786 5.646 1.00 0.00 O ATOM 0 H GLU A 26 9.635 -1.922 4.427 1.00 0.00 H new ATOM 0 HA GLU A 26 10.043 -0.327 1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.566 1.091 3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.053 -0.074 4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.458 0.413 4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.934 1.626 3.263 1.00 0.00 H new ATOM 409 N GLN A 27 12.294 -2.243 3.220 1.00 0.00 N ATOM 410 CA GLN A 27 13.651 -2.711 2.986 1.00 0.00 C ATOM 411 C GLN A 27 13.627 -3.472 1.665 1.00 0.00 C ATOM 412 O GLN A 27 14.611 -3.584 0.951 1.00 0.00 O ATOM 413 CB GLN A 27 14.131 -3.597 4.137 1.00 0.00 C ATOM 414 CG GLN A 27 13.366 -4.915 4.201 1.00 0.00 C ATOM 415 CD GLN A 27 14.204 -5.966 4.934 1.00 0.00 C ATOM 416 OE1 GLN A 27 13.956 -6.304 6.085 1.00 0.00 O ATOM 417 NE2 GLN A 27 15.209 -6.453 4.184 1.00 0.00 N ATOM 0 H GLN A 27 11.714 -2.832 3.817 1.00 0.00 H new ATOM 0 HA GLN A 27 14.351 -1.877 2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.195 -3.801 4.018 1.00 0.00 H new ATOM 0 HB3 GLN A 27 14.012 -3.063 5.080 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.416 -4.770 4.716 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.133 -5.260 3.194 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.345 -6.115 3.231 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.835 -7.160 4.568 1.00 0.00 H new ATOM 426 N ILE A 28 12.414 -3.982 1.395 1.00 0.00 N ATOM 427 CA ILE A 28 12.213 -4.672 0.175 1.00 0.00 C ATOM 428 C ILE A 28 12.302 -3.664 -0.964 1.00 0.00 C ATOM 429 O ILE A 28 12.844 -3.922 -2.030 1.00 0.00 O ATOM 430 CB ILE A 28 10.837 -5.290 0.262 1.00 0.00 C ATOM 431 CG1 ILE A 28 10.839 -6.502 1.180 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.333 -5.680 -1.109 1.00 0.00 C ATOM 433 CD1 ILE A 28 9.422 -6.836 1.638 1.00 0.00 C ATOM 0 H ILE A 28 11.599 -3.917 2.005 1.00 0.00 H new ATOM 0 HA ILE A 28 12.958 -5.448 -0.005 1.00 0.00 H new ATOM 0 HB ILE A 28 10.166 -4.540 0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.269 -7.358 0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.470 -6.306 2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.341 -6.123 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.280 -4.795 -1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.015 -6.404 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.447 -7.706 2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.005 -5.986 2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.801 -7.054 0.769 1.00 0.00 H new ATOM 445 N VAL A 29 11.702 -2.506 -0.667 1.00 0.00 N ATOM 446 CA VAL A 29 11.759 -1.439 -1.641 1.00 0.00 C ATOM 447 C VAL A 29 13.212 -1.044 -1.850 1.00 0.00 C ATOM 448 O VAL A 29 13.607 -0.568 -2.904 1.00 0.00 O ATOM 449 CB VAL A 29 10.955 -0.245 -1.105 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.652 1.083 -1.415 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.527 -0.227 -1.659 1.00 0.00 C ATOM 0 H VAL A 29 11.199 -2.299 0.196 1.00 0.00 H new ATOM 0 HA VAL A 29 11.336 -1.761 -2.593 1.00 0.00 H new ATOM 0 HB VAL A 29 10.900 -0.365 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.056 1.907 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.638 1.094 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.759 1.195 -2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.991 0.632 -1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.559 -0.157 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.013 -1.143 -1.369 1.00 0.00 H new ATOM 461 N LEU A 30 13.969 -1.260 -0.774 1.00 0.00 N ATOM 462 CA LEU A 30 15.351 -0.943 -0.836 1.00 0.00 C ATOM 463 C LEU A 30 15.985 -1.779 -1.946 1.00 0.00 C ATOM 464 O LEU A 30 16.884 -1.352 -2.661 1.00 0.00 O ATOM 465 CB LEU A 30 15.911 -1.287 0.537 1.00 0.00 C ATOM 466 CG LEU A 30 16.823 -2.500 0.521 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.221 -2.120 0.066 1.00 0.00 C ATOM 468 CD2 LEU A 30 16.868 -3.142 1.890 1.00 0.00 C ATOM 0 H LEU A 30 13.641 -1.642 0.113 1.00 0.00 H new ATOM 0 HA LEU A 30 15.551 0.103 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.463 -0.430 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.085 -1.470 1.224 1.00 0.00 H new ATOM 0 HG LEU A 30 16.420 -3.221 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.856 -3.006 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.175 -1.703 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 30 18.637 -1.378 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.526 -4.011 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.246 -2.423 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.865 -3.456 2.178 1.00 0.00 H new ATOM 480 N ILE A 31 15.432 -3.005 -2.026 1.00 0.00 N ATOM 481 CA ILE A 31 15.913 -3.925 -3.011 1.00 0.00 C ATOM 482 C ILE A 31 15.642 -3.372 -4.382 1.00 0.00 C ATOM 483 O ILE A 31 16.527 -3.029 -5.157 1.00 0.00 O ATOM 484 CB ILE A 31 15.168 -5.255 -2.918 1.00 0.00 C ATOM 485 CG1 ILE A 31 14.639 -5.558 -1.530 1.00 0.00 C ATOM 486 CG2 ILE A 31 16.054 -6.358 -3.400 1.00 0.00 C ATOM 487 CD1 ILE A 31 15.534 -6.539 -0.771 1.00 0.00 C ATOM 0 H ILE A 31 14.679 -3.350 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 31 16.979 -4.074 -2.838 1.00 0.00 H new ATOM 0 HB ILE A 31 14.289 -5.174 -3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.558 -4.630 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.634 -5.972 -1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 31 15.522 -7.307 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.336 -6.172 -4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.951 -6.401 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.114 -6.725 0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.594 -7.478 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 31 16.533 -6.115 -0.667 1.00 0.00 H new ATOM 499 N GLY A 32 14.329 -3.326 -4.606 1.00 0.00 N ATOM 500 CA GLY A 32 13.865 -2.891 -5.897 1.00 0.00 C ATOM 501 C GLY A 32 13.601 -1.388 -5.952 1.00 0.00 C ATOM 502 O GLY A 32 14.079 -0.612 -5.137 1.00 0.00 O ATOM 0 H GLY A 32 13.604 -3.576 -3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.606 -3.154 -6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.949 -3.426 -6.149 1.00 0.00 H new ATOM 506 N SER A 33 12.825 -1.040 -6.993 1.00 0.00 N ATOM 507 CA SER A 33 12.489 0.357 -7.184 1.00 0.00 C ATOM 508 C SER A 33 13.715 1.107 -7.685 1.00 0.00 C ATOM 509 O SER A 33 14.769 1.133 -7.063 1.00 0.00 O ATOM 510 CB SER A 33 11.985 0.953 -5.878 1.00 0.00 C ATOM 511 OG SER A 33 11.366 2.192 -6.114 1.00 0.00 O ATOM 0 H SER A 33 12.439 -1.685 -7.682 1.00 0.00 H new ATOM 0 HA SER A 33 11.696 0.446 -7.926 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.278 0.270 -5.407 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.816 1.080 -5.184 1.00 0.00 H new ATOM 0 HG SER A 33 10.455 2.045 -6.443 1.00 0.00 H new ATOM 517 N LYS A 34 13.484 1.717 -8.854 1.00 0.00 N ATOM 518 CA LYS A 34 14.550 2.466 -9.492 1.00 0.00 C ATOM 519 C LYS A 34 13.956 3.586 -10.318 1.00 0.00 C ATOM 520 O LYS A 34 14.399 4.728 -10.309 1.00 0.00 O ATOM 521 CB LYS A 34 15.298 1.534 -10.438 1.00 0.00 C ATOM 522 CG LYS A 34 15.906 0.360 -9.690 1.00 0.00 C ATOM 523 CD LYS A 34 17.187 -0.141 -10.359 1.00 0.00 C ATOM 524 CE LYS A 34 18.322 0.876 -10.232 1.00 0.00 C ATOM 525 NZ LYS A 34 19.580 0.375 -10.772 1.00 0.00 N ATOM 0 H LYS A 34 12.596 1.704 -9.356 1.00 0.00 H new ATOM 0 HA LYS A 34 15.217 2.872 -8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.616 1.166 -11.204 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.084 2.088 -10.951 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.124 0.657 -8.664 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.181 -0.453 -9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.490 -1.084 -9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.994 -0.342 -11.413 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.045 1.792 -10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.458 1.135 -9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.318 1.100 -10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.860 -0.485 -10.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.460 0.152 -11.781 1.00 0.00 H new ATOM 539 N THR A 35 12.916 3.151 -11.031 1.00 0.00 N ATOM 540 CA THR A 35 12.242 4.049 -11.927 1.00 0.00 C ATOM 541 C THR A 35 11.183 4.896 -11.220 1.00 0.00 C ATOM 542 O THR A 35 10.451 5.665 -11.832 1.00 0.00 O ATOM 543 CB THR A 35 11.605 3.196 -12.996 1.00 0.00 C ATOM 544 OG1 THR A 35 11.541 1.855 -12.568 1.00 0.00 O ATOM 545 CG2 THR A 35 12.379 3.281 -14.305 1.00 0.00 C ATOM 0 H THR A 35 12.540 2.203 -10.998 1.00 0.00 H new ATOM 0 HA THR A 35 12.958 4.756 -12.346 1.00 0.00 H new ATOM 0 HB THR A 35 10.597 3.572 -13.170 1.00 0.00 H new ATOM 0 HG1 THR A 35 12.410 1.424 -12.711 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.895 2.656 -15.055 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.397 4.315 -14.651 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.400 2.934 -14.147 1.00 0.00 H new ATOM 553 N ASN A 36 11.155 4.682 -9.913 1.00 0.00 N ATOM 554 CA ASN A 36 10.216 5.414 -9.082 1.00 0.00 C ATOM 555 C ASN A 36 8.790 4.992 -9.431 1.00 0.00 C ATOM 556 O ASN A 36 7.944 5.798 -9.796 1.00 0.00 O ATOM 557 CB ASN A 36 10.416 6.919 -9.284 1.00 0.00 C ATOM 558 CG ASN A 36 9.236 7.701 -8.700 1.00 0.00 C ATOM 559 OD1 ASN A 36 8.877 8.771 -9.175 1.00 0.00 O ATOM 560 ND2 ASN A 36 8.666 7.096 -7.642 1.00 0.00 N ATOM 0 H ASN A 36 11.756 4.024 -9.416 1.00 0.00 H new ATOM 0 HA ASN A 36 10.392 5.186 -8.031 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.342 7.236 -8.805 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.515 7.139 -10.347 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.872 7.531 -7.173 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.028 6.202 -7.309 1.00 0.00 H new ATOM 567 N GLY A 37 8.593 3.668 -9.297 1.00 0.00 N ATOM 568 CA GLY A 37 7.274 3.131 -9.582 1.00 0.00 C ATOM 569 C GLY A 37 6.969 1.866 -8.766 1.00 0.00 C ATOM 570 O GLY A 37 5.958 1.212 -8.973 1.00 0.00 O ATOM 0 H GLY A 37 9.298 2.990 -9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.521 3.889 -9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.200 2.901 -10.645 1.00 0.00 H new ATOM 574 N LYS A 38 7.888 1.559 -7.828 1.00 0.00 N ATOM 575 CA LYS A 38 7.652 0.377 -7.030 1.00 0.00 C ATOM 576 C LYS A 38 6.793 0.759 -5.842 1.00 0.00 C ATOM 577 O LYS A 38 6.844 1.873 -5.339 1.00 0.00 O ATOM 578 CB LYS A 38 8.960 -0.229 -6.557 1.00 0.00 C ATOM 579 CG LYS A 38 8.773 -1.705 -6.216 1.00 0.00 C ATOM 580 CD LYS A 38 10.073 -2.346 -5.751 1.00 0.00 C ATOM 581 CE LYS A 38 10.418 -3.568 -6.599 1.00 0.00 C ATOM 582 NZ LYS A 38 11.266 -3.237 -7.737 1.00 0.00 N ATOM 0 H LYS A 38 8.739 2.083 -7.625 1.00 0.00 H new ATOM 0 HA LYS A 38 7.141 -0.371 -7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.719 -0.122 -7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.321 0.310 -5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.019 -1.805 -5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.399 -2.236 -7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.882 -1.618 -5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.984 -2.639 -4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.923 -4.307 -5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.498 -4.029 -6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.109 -3.927 -8.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.031 -2.283 -8.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.264 -3.265 -7.446 1.00 0.00 H new ATOM 596 N PHE A 39 6.007 -0.237 -5.426 1.00 0.00 N ATOM 597 CA PHE A 39 5.131 0.029 -4.300 1.00 0.00 C ATOM 598 C PHE A 39 4.657 -1.268 -3.655 1.00 0.00 C ATOM 599 O PHE A 39 4.906 -2.366 -4.129 1.00 0.00 O ATOM 600 CB PHE A 39 3.930 0.851 -4.779 1.00 0.00 C ATOM 601 CG PHE A 39 2.888 -0.005 -5.447 1.00 0.00 C ATOM 602 CD1 PHE A 39 3.063 -0.462 -6.776 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.714 -0.357 -4.743 1.00 0.00 C ATOM 604 CE1 PHE A 39 2.069 -1.261 -7.391 1.00 0.00 C ATOM 605 CE2 PHE A 39 0.722 -1.153 -5.356 1.00 0.00 C ATOM 606 CZ PHE A 39 0.899 -1.605 -6.679 1.00 0.00 C ATOM 0 H PHE A 39 5.961 -1.174 -5.825 1.00 0.00 H new ATOM 0 HA PHE A 39 5.686 0.591 -3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.483 1.368 -3.930 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.270 1.617 -5.476 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.957 -0.200 -7.322 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.575 -0.014 -3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.206 -1.607 -8.405 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.173 -1.416 -4.811 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.140 -2.214 -7.148 1.00 0.00 H new ATOM 616 N LEU A 40 3.935 -1.039 -2.547 1.00 0.00 N ATOM 617 CA LEU A 40 3.371 -2.168 -1.838 1.00 0.00 C ATOM 618 C LEU A 40 2.328 -1.674 -0.846 1.00 0.00 C ATOM 619 O LEU A 40 2.466 -0.626 -0.227 1.00 0.00 O ATOM 620 CB LEU A 40 4.478 -2.924 -1.127 1.00 0.00 C ATOM 621 CG LEU A 40 5.048 -2.121 0.042 1.00 0.00 C ATOM 622 CD1 LEU A 40 4.284 -2.421 1.331 1.00 0.00 C ATOM 623 CD2 LEU A 40 6.530 -2.438 0.227 1.00 0.00 C ATOM 0 H LEU A 40 3.741 -0.121 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 40 2.887 -2.845 -2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.093 -3.876 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.275 -3.153 -1.834 1.00 0.00 H new ATOM 0 HG LEU A 40 4.936 -1.061 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.707 -1.838 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.235 -2.156 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.364 -3.483 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.924 -1.860 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.652 -3.502 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.074 -2.179 -0.682 1.00 0.00 H new ATOM 635 N ILE A 41 1.277 -2.499 -0.745 1.00 0.00 N ATOM 636 CA ILE A 41 0.212 -2.152 0.170 1.00 0.00 C ATOM 637 C ILE A 41 0.221 -3.134 1.336 1.00 0.00 C ATOM 638 O ILE A 41 0.491 -4.319 1.180 1.00 0.00 O ATOM 639 CB ILE A 41 -1.118 -2.201 -0.566 1.00 0.00 C ATOM 640 CG1 ILE A 41 -2.231 -1.621 0.303 1.00 0.00 C ATOM 641 CG2 ILE A 41 -1.448 -3.637 -0.963 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.842 -0.263 0.887 1.00 0.00 C ATOM 0 H ILE A 41 1.153 -3.369 -1.264 1.00 0.00 H new ATOM 0 HA ILE A 41 0.358 -1.144 0.557 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.037 -1.598 -1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.139 -1.515 -0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.459 -2.314 1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.402 -3.659 -1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.665 -4.023 -1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.513 -4.256 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.660 0.117 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.949 -0.374 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.640 0.437 0.076 1.00 0.00 H new ATOM 654 N ARG A 42 -0.089 -2.564 2.512 1.00 0.00 N ATOM 655 CA ARG A 42 -0.100 -3.401 3.697 1.00 0.00 C ATOM 656 C ARG A 42 -1.335 -3.100 4.543 1.00 0.00 C ATOM 657 O ARG A 42 -1.929 -2.031 4.473 1.00 0.00 O ATOM 658 CB ARG A 42 1.169 -3.147 4.506 1.00 0.00 C ATOM 659 CG ARG A 42 1.492 -1.654 4.588 1.00 0.00 C ATOM 660 CD ARG A 42 2.525 -1.358 5.676 1.00 0.00 C ATOM 661 NE ARG A 42 1.965 -1.632 6.990 1.00 0.00 N ATOM 662 CZ ARG A 42 2.176 -2.837 7.560 1.00 0.00 C ATOM 663 NH1 ARG A 42 2.900 -3.763 6.937 1.00 0.00 N ATOM 664 NH2 ARG A 42 1.659 -3.099 8.757 1.00 0.00 N ATOM 0 H ARG A 42 -0.322 -1.581 2.655 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.134 -4.449 3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.047 -3.550 5.512 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.005 -3.677 4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.869 -1.310 3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.579 -1.095 4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.415 -1.967 5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.838 -0.316 5.616 1.00 0.00 H new ATOM 0 HE ARG A 42 1.418 -0.921 7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.301 -3.565 6.020 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.054 -4.671 7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.106 -2.391 9.240 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.815 -4.008 9.192 1.00 0.00 H new ATOM 678 N ALA A 43 -1.672 -4.128 5.342 1.00 0.00 N ATOM 679 CA ALA A 43 -2.821 -3.991 6.220 1.00 0.00 C ATOM 680 C ALA A 43 -2.379 -4.267 7.656 1.00 0.00 C ATOM 681 O ALA A 43 -1.209 -4.502 7.935 1.00 0.00 O ATOM 682 CB ALA A 43 -3.905 -4.977 5.794 1.00 0.00 C ATOM 0 H ALA A 43 -1.182 -5.021 5.391 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.227 -2.981 6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.768 -4.876 6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.205 -4.767 4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.518 -5.994 5.858 1.00 0.00 H new ATOM 770 N TYR A 50 -4.686 0.756 6.841 1.00 0.00 N ATOM 771 CA TYR A 50 -3.887 0.341 5.699 1.00 0.00 C ATOM 772 C TYR A 50 -3.054 1.533 5.234 1.00 0.00 C ATOM 773 O TYR A 50 -3.381 2.681 5.500 1.00 0.00 O ATOM 774 CB TYR A 50 -4.802 -0.138 4.569 1.00 0.00 C ATOM 775 CG TYR A 50 -5.735 -1.223 5.027 1.00 0.00 C ATOM 776 CD1 TYR A 50 -6.832 -0.915 5.868 1.00 0.00 C ATOM 777 CD2 TYR A 50 -5.535 -2.563 4.613 1.00 0.00 C ATOM 778 CE1 TYR A 50 -7.718 -1.933 6.290 1.00 0.00 C ATOM 779 CE2 TYR A 50 -6.421 -3.581 5.035 1.00 0.00 C ATOM 780 CZ TYR A 50 -7.512 -3.265 5.873 1.00 0.00 C ATOM 781 OH TYR A 50 -8.377 -4.259 6.285 1.00 0.00 O ATOM 0 HA TYR A 50 -3.230 -0.482 5.980 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.382 0.703 4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.195 -0.506 3.742 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.993 0.104 6.189 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.701 -2.808 3.972 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -8.552 -1.691 6.932 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.263 -4.601 4.716 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.093 -5.117 5.907 1.00 0.00 H new ATOM 791 N ALA A 51 -1.959 1.194 4.531 1.00 0.00 N ATOM 792 CA ALA A 51 -1.113 2.268 4.040 1.00 0.00 C ATOM 793 C ALA A 51 -0.283 1.787 2.852 1.00 0.00 C ATOM 794 O ALA A 51 0.328 0.724 2.868 1.00 0.00 O ATOM 795 CB ALA A 51 -0.205 2.772 5.160 1.00 0.00 C ATOM 0 H ALA A 51 -1.661 0.245 4.306 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.745 3.091 3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.426 3.577 4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.815 3.144 5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.423 1.955 5.515 1.00 0.00 H new ATOM 801 N LEU A 52 -0.314 2.654 1.825 1.00 0.00 N ATOM 802 CA LEU A 52 0.434 2.353 0.617 1.00 0.00 C ATOM 803 C LEU A 52 1.876 2.827 0.791 1.00 0.00 C ATOM 804 O LEU A 52 2.142 3.882 1.343 1.00 0.00 O ATOM 805 CB LEU A 52 -0.238 3.059 -0.562 1.00 0.00 C ATOM 806 CG LEU A 52 0.771 3.652 -1.550 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.671 2.555 -2.118 1.00 0.00 C ATOM 808 CD2 LEU A 52 0.028 4.362 -2.677 1.00 0.00 C ATOM 0 H LEU A 52 -0.831 3.533 1.814 1.00 0.00 H new ATOM 0 HA LEU A 52 0.446 1.280 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.880 2.351 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.881 3.854 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 52 1.399 4.372 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.382 2.994 -2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.213 2.072 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.061 1.816 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.748 4.783 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.611 3.649 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.584 5.162 -2.262 1.00 0.00 H new ATOM 820 N CYS A 53 2.785 1.981 0.277 1.00 0.00 N ATOM 821 CA CYS A 53 4.188 2.337 0.396 1.00 0.00 C ATOM 822 C CYS A 53 4.898 2.162 -0.941 1.00 0.00 C ATOM 823 O CYS A 53 5.031 1.062 -1.465 1.00 0.00 O ATOM 824 CB CYS A 53 4.851 1.460 1.455 1.00 0.00 C ATOM 825 SG CYS A 53 4.002 1.520 3.051 1.00 0.00 S ATOM 0 H CYS A 53 2.582 1.100 -0.196 1.00 0.00 H new ATOM 0 HA CYS A 53 4.262 3.383 0.693 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.877 0.429 1.102 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.885 1.778 1.587 1.00 0.00 H new ATOM 0 HG CYS A 53 4.778 2.075 3.935 1.00 0.00 H new ATOM 831 N LEU A 54 5.347 3.322 -1.452 1.00 0.00 N ATOM 832 CA LEU A 54 6.084 3.280 -2.705 1.00 0.00 C ATOM 833 C LEU A 54 7.355 4.103 -2.535 1.00 0.00 C ATOM 834 O LEU A 54 7.486 4.894 -1.613 1.00 0.00 O ATOM 835 CB LEU A 54 5.220 3.728 -3.896 1.00 0.00 C ATOM 836 CG LEU A 54 4.648 5.148 -3.780 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.449 5.178 -2.835 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.714 6.145 -3.330 1.00 0.00 C ATOM 0 H LEU A 54 5.218 4.245 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 54 6.364 2.254 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.819 3.666 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.393 3.027 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 54 4.310 5.447 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.062 6.195 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.670 4.517 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.758 4.843 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.275 7.140 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.101 5.848 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.528 6.159 -4.055 1.00 0.00 H new ATOM 850 N LEU A 55 8.296 3.852 -3.458 1.00 0.00 N ATOM 851 CA LEU A 55 9.561 4.555 -3.322 1.00 0.00 C ATOM 852 C LEU A 55 9.760 5.586 -4.428 1.00 0.00 C ATOM 853 O LEU A 55 9.471 5.360 -5.597 1.00 0.00 O ATOM 854 CB LEU A 55 10.683 3.523 -3.329 1.00 0.00 C ATOM 855 CG LEU A 55 12.064 4.159 -3.146 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.582 3.975 -1.721 1.00 0.00 C ATOM 857 CD2 LEU A 55 13.055 3.533 -4.116 1.00 0.00 C ATOM 0 H LEU A 55 8.211 3.214 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 55 9.565 5.108 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.511 2.799 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.661 2.973 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 55 11.964 5.226 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.564 4.439 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.892 4.443 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.661 2.911 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.035 3.990 -3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.124 2.462 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.716 3.698 -5.139 1.00 0.00 H new ATOM 869 N HIS A 56 10.279 6.738 -3.955 1.00 0.00 N ATOM 870 CA HIS A 56 10.560 7.818 -4.878 1.00 0.00 C ATOM 871 C HIS A 56 12.076 7.914 -5.020 1.00 0.00 C ATOM 872 O HIS A 56 12.694 8.941 -4.767 1.00 0.00 O ATOM 873 CB HIS A 56 9.976 9.125 -4.340 1.00 0.00 C ATOM 874 CG HIS A 56 10.346 10.258 -5.266 1.00 0.00 C ATOM 875 ND1 HIS A 56 10.387 10.150 -6.612 1.00 0.00 N ATOM 876 CD2 HIS A 56 10.706 11.573 -4.921 1.00 0.00 C ATOM 877 CE1 HIS A 56 10.759 11.353 -7.079 1.00 0.00 C ATOM 878 NE2 HIS A 56 10.958 12.230 -6.078 1.00 0.00 N ATOM 0 H HIS A 56 10.499 6.926 -2.977 1.00 0.00 H new ATOM 0 HA HIS A 56 10.106 7.631 -5.851 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.892 9.046 -4.259 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.357 9.321 -3.338 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.769 11.981 -3.923 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.883 11.587 -8.126 1.00 0.00 H new ATOM 0 HE2 HIS A 56 11.244 13.204 -6.173 1.00 0.00 H new ATOM 886 N GLU A 57 12.619 6.759 -5.441 1.00 0.00 N ATOM 887 CA GLU A 57 14.045 6.664 -5.597 1.00 0.00 C ATOM 888 C GLU A 57 14.713 7.032 -4.283 1.00 0.00 C ATOM 889 O GLU A 57 14.712 8.169 -3.829 1.00 0.00 O ATOM 890 CB GLU A 57 14.519 7.583 -6.683 1.00 0.00 C ATOM 891 CG GLU A 57 13.459 7.807 -7.763 1.00 0.00 C ATOM 892 CD GLU A 57 14.010 8.733 -8.847 1.00 0.00 C ATOM 893 OE1 GLU A 57 14.636 9.734 -8.501 1.00 0.00 O ATOM 894 OE2 GLU A 57 13.808 8.444 -10.025 1.00 0.00 O ATOM 0 H GLU A 57 12.096 5.914 -5.668 1.00 0.00 H new ATOM 0 HA GLU A 57 14.307 5.643 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.798 8.542 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.417 7.168 -7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.166 6.853 -8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.563 8.243 -7.321 1.00 0.00 H new ATOM 901 N GLY A 58 15.272 5.970 -3.730 1.00 0.00 N ATOM 902 CA GLY A 58 15.972 6.083 -2.459 1.00 0.00 C ATOM 903 C GLY A 58 15.164 6.820 -1.376 1.00 0.00 C ATOM 904 O GLY A 58 15.687 7.164 -0.322 1.00 0.00 O ATOM 0 H GLY A 58 15.257 5.033 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.219 5.084 -2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.914 6.607 -2.618 1.00 0.00 H new ATOM 908 N LYS A 59 13.872 7.041 -1.689 1.00 0.00 N ATOM 909 CA LYS A 59 13.039 7.717 -0.721 1.00 0.00 C ATOM 910 C LYS A 59 11.718 6.979 -0.625 1.00 0.00 C ATOM 911 O LYS A 59 10.743 7.294 -1.298 1.00 0.00 O ATOM 912 CB LYS A 59 12.800 9.156 -1.138 1.00 0.00 C ATOM 913 CG LYS A 59 14.103 9.886 -1.466 1.00 0.00 C ATOM 914 CD LYS A 59 13.943 10.791 -2.686 1.00 0.00 C ATOM 915 CE LYS A 59 13.903 12.267 -2.292 1.00 0.00 C ATOM 916 NZ LYS A 59 12.771 12.583 -1.429 1.00 0.00 N ATOM 0 H LYS A 59 13.416 6.772 -2.561 1.00 0.00 H new ATOM 0 HA LYS A 59 13.537 7.724 0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.145 9.176 -2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.282 9.683 -0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.414 10.481 -0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.893 9.158 -1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.769 10.621 -3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.026 10.530 -3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.830 12.529 -1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.852 12.879 -3.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.730 13.610 -1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.890 12.266 -1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.885 12.098 -0.516 1.00 0.00 H new ATOM 930 N VAL A 60 11.759 5.983 0.257 1.00 0.00 N ATOM 931 CA VAL A 60 10.565 5.188 0.443 1.00 0.00 C ATOM 932 C VAL A 60 9.509 6.036 1.127 1.00 0.00 C ATOM 933 O VAL A 60 9.783 6.823 2.024 1.00 0.00 O ATOM 934 CB VAL A 60 10.858 3.956 1.285 1.00 0.00 C ATOM 935 CG1 VAL A 60 10.779 4.306 2.765 1.00 0.00 C ATOM 936 CG2 VAL A 60 9.852 2.853 0.965 1.00 0.00 C ATOM 0 H VAL A 60 12.565 5.722 0.824 1.00 0.00 H new ATOM 0 HA VAL A 60 10.207 4.856 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 60 11.863 3.603 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.990 3.418 3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.511 5.080 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.779 4.671 3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.070 1.975 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.844 3.205 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.923 2.591 -0.091 1.00 0.00 H new ATOM 946 N LEU A 61 8.289 5.786 0.660 1.00 0.00 N ATOM 947 CA LEU A 61 7.178 6.525 1.206 1.00 0.00 C ATOM 948 C LEU A 61 6.078 5.607 1.662 1.00 0.00 C ATOM 949 O LEU A 61 6.005 4.429 1.333 1.00 0.00 O ATOM 950 CB LEU A 61 6.624 7.477 0.160 1.00 0.00 C ATOM 951 CG LEU A 61 7.747 8.267 -0.483 1.00 0.00 C ATOM 952 CD1 LEU A 61 7.201 9.323 -1.440 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.579 8.909 0.614 1.00 0.00 C ATOM 0 H LEU A 61 8.059 5.106 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 61 7.545 7.084 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.083 6.916 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.909 8.158 0.621 1.00 0.00 H new ATOM 0 HG LEU A 61 8.371 7.594 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.030 9.873 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.623 8.837 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.560 10.014 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.392 9.481 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.950 9.574 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.993 8.133 1.258 1.00 0.00 H new ATOM 965 N HIS A 62 5.222 6.271 2.435 1.00 0.00 N ATOM 966 CA HIS A 62 4.071 5.573 2.974 1.00 0.00 C ATOM 967 C HIS A 62 2.887 6.542 2.966 1.00 0.00 C ATOM 968 O HIS A 62 3.039 7.740 3.150 1.00 0.00 O ATOM 969 CB HIS A 62 4.363 5.081 4.401 1.00 0.00 C ATOM 970 CG HIS A 62 5.693 4.350 4.453 1.00 0.00 C ATOM 971 ND1 HIS A 62 5.820 3.013 4.616 1.00 0.00 N ATOM 972 CD2 HIS A 62 6.984 4.903 4.360 1.00 0.00 C ATOM 973 CE1 HIS A 62 7.142 2.756 4.624 1.00 0.00 C ATOM 974 NE2 HIS A 62 7.863 3.880 4.471 1.00 0.00 N ATOM 0 H HIS A 62 5.302 7.255 2.692 1.00 0.00 H new ATOM 0 HA HIS A 62 3.840 4.698 2.367 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.380 5.928 5.087 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.564 4.418 4.733 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.227 5.947 4.225 1.00 0.00 H new ATOM 0 HE1 HIS A 62 7.569 1.771 4.739 1.00 0.00 H new ATOM 0 HE2 HIS A 62 8.880 3.949 4.444 1.00 0.00 H new ATOM 982 N TYR A 63 1.708 5.955 2.718 1.00 0.00 N ATOM 983 CA TYR A 63 0.523 6.775 2.685 1.00 0.00 C ATOM 984 C TYR A 63 -0.581 6.078 3.469 1.00 0.00 C ATOM 985 O TYR A 63 -0.933 4.941 3.196 1.00 0.00 O ATOM 986 CB TYR A 63 0.097 6.950 1.234 1.00 0.00 C ATOM 987 CG TYR A 63 1.035 7.854 0.493 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.038 9.254 0.723 1.00 0.00 C ATOM 989 CD2 TYR A 63 1.946 7.309 -0.442 1.00 0.00 C ATOM 990 CE1 TYR A 63 1.940 10.078 0.027 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.846 8.139 -1.135 1.00 0.00 C ATOM 992 CZ TYR A 63 2.844 9.525 -0.903 1.00 0.00 C ATOM 993 OH TYR A 63 3.728 10.341 -1.580 1.00 0.00 O ATOM 0 H TYR A 63 1.566 4.960 2.546 1.00 0.00 H new ATOM 0 HA TYR A 63 0.719 7.751 3.130 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.063 5.977 0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.912 7.361 1.197 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.348 9.687 1.432 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.951 6.245 -0.626 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.940 11.143 0.206 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.538 7.711 -1.845 1.00 0.00 H new ATOM 0 HH TYR A 63 4.545 9.840 -1.785 1.00 0.00 H new ATOM 1003 N ARG A 64 -1.098 6.821 4.462 1.00 0.00 N ATOM 1004 CA ARG A 64 -2.164 6.232 5.252 1.00 0.00 C ATOM 1005 C ARG A 64 -3.410 6.118 4.376 1.00 0.00 C ATOM 1006 O ARG A 64 -3.710 6.984 3.564 1.00 0.00 O ATOM 1007 CB ARG A 64 -2.449 7.071 6.497 1.00 0.00 C ATOM 1008 CG ARG A 64 -1.985 8.521 6.346 1.00 0.00 C ATOM 1009 CD ARG A 64 -2.787 9.259 5.276 1.00 0.00 C ATOM 1010 NE ARG A 64 -2.990 10.643 5.662 1.00 0.00 N ATOM 1011 CZ ARG A 64 -2.022 11.538 5.393 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -0.902 11.150 4.789 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -2.185 12.814 5.732 1.00 0.00 N ATOM 0 H ARG A 64 -0.813 7.766 4.717 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.862 5.242 5.593 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.519 7.055 6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.951 6.621 7.356 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.088 9.038 7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.927 8.540 6.086 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.261 9.214 4.322 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.750 8.770 5.132 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.850 10.932 6.128 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.775 10.172 4.529 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.170 11.831 4.586 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.043 13.113 6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.452 13.493 5.529 1.00 0.00 H new ATOM 1027 N ILE A 65 -4.109 4.993 4.599 1.00 0.00 N ATOM 1028 CA ILE A 65 -5.310 4.755 3.811 1.00 0.00 C ATOM 1029 C ILE A 65 -6.363 4.038 4.649 1.00 0.00 C ATOM 1030 O ILE A 65 -6.160 2.928 5.128 1.00 0.00 O ATOM 1031 CB ILE A 65 -4.954 3.898 2.595 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -4.335 4.753 1.496 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -6.196 3.181 2.057 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.995 4.188 1.035 1.00 0.00 C ATOM 0 H ILE A 65 -3.874 4.273 5.283 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.715 5.713 3.484 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.226 3.152 2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.018 4.809 0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.196 5.771 1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.921 2.577 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.609 2.537 2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.943 3.918 1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.583 4.823 0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.304 4.157 1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.139 3.180 0.647 1.00 0.00 H new ATOM 1046 N ASP A 66 -7.499 4.743 4.792 1.00 0.00 N ATOM 1047 CA ASP A 66 -8.584 4.141 5.534 1.00 0.00 C ATOM 1048 C ASP A 66 -9.915 4.654 5.014 1.00 0.00 C ATOM 1049 O ASP A 66 -9.997 5.512 4.145 1.00 0.00 O ATOM 1050 CB ASP A 66 -8.447 4.457 7.011 1.00 0.00 C ATOM 1051 CG ASP A 66 -9.347 3.528 7.830 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -9.083 2.327 7.853 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -10.300 4.016 8.434 1.00 0.00 O ATOM 0 H ASP A 66 -7.672 5.677 4.421 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.544 3.060 5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.409 4.339 7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.719 5.496 7.196 1.00 0.00 H new ATOM 1058 N LYS A 67 -10.943 4.074 5.638 1.00 0.00 N ATOM 1059 CA LYS A 67 -12.291 4.431 5.259 1.00 0.00 C ATOM 1060 C LYS A 67 -12.944 5.228 6.383 1.00 0.00 C ATOM 1061 O LYS A 67 -12.301 5.658 7.332 1.00 0.00 O ATOM 1062 CB LYS A 67 -13.076 3.150 4.997 1.00 0.00 C ATOM 1063 CG LYS A 67 -13.217 2.314 6.266 1.00 0.00 C ATOM 1064 CD LYS A 67 -12.959 0.832 5.994 1.00 0.00 C ATOM 1065 CE LYS A 67 -13.548 -0.055 7.092 1.00 0.00 C ATOM 1066 NZ LYS A 67 -12.914 0.168 8.386 1.00 0.00 N ATOM 0 H LYS A 67 -10.864 3.380 6.381 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.280 5.045 4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.065 3.400 4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.573 2.564 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.516 2.674 7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.219 2.440 6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.393 0.557 5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.886 0.657 5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.618 0.138 7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.434 -1.102 6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.677 -0.747 8.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.045 0.725 8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.567 0.686 9.008 1.00 0.00 H new ATOM 1080 N ASP A 68 -14.266 5.388 6.206 1.00 0.00 N ATOM 1081 CA ASP A 68 -15.018 6.112 7.211 1.00 0.00 C ATOM 1082 C ASP A 68 -15.859 5.105 7.989 1.00 0.00 C ATOM 1083 O ASP A 68 -17.060 5.262 8.171 1.00 0.00 O ATOM 1084 CB ASP A 68 -15.906 7.148 6.532 1.00 0.00 C ATOM 1085 CG ASP A 68 -15.116 8.437 6.295 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -14.653 9.029 7.269 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -14.973 8.834 5.140 1.00 0.00 O ATOM 0 H ASP A 68 -14.804 5.040 5.412 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.349 6.634 7.895 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.275 6.758 5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -16.778 7.355 7.152 1.00 0.00 H new ATOM 1092 N LYS A 69 -15.135 4.060 8.428 1.00 0.00 N ATOM 1093 CA LYS A 69 -15.809 2.995 9.156 1.00 0.00 C ATOM 1094 C LYS A 69 -17.070 2.572 8.398 1.00 0.00 C ATOM 1095 O LYS A 69 -18.060 2.132 8.969 1.00 0.00 O ATOM 1096 CB LYS A 69 -16.147 3.465 10.568 1.00 0.00 C ATOM 1097 CG LYS A 69 -14.936 3.363 11.497 1.00 0.00 C ATOM 1098 CD LYS A 69 -13.708 4.051 10.899 1.00 0.00 C ATOM 1099 CE LYS A 69 -12.526 4.031 11.870 1.00 0.00 C ATOM 1100 NZ LYS A 69 -12.029 2.681 12.110 1.00 0.00 N ATOM 0 H LYS A 69 -14.131 3.940 8.296 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.150 2.131 9.235 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.496 4.497 10.535 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.965 2.864 10.967 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.175 3.816 12.459 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.710 2.314 11.687 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.426 3.553 9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.955 5.082 10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.720 4.647 11.470 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.829 4.478 12.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.168 2.726 12.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.755 2.127 12.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.809 2.225 11.201 1.00 0.00 H new ATOM 1114 N THR A 70 -16.947 2.741 7.073 1.00 0.00 N ATOM 1115 CA THR A 70 -18.021 2.379 6.193 1.00 0.00 C ATOM 1116 C THR A 70 -17.587 1.180 5.348 1.00 0.00 C ATOM 1117 O THR A 70 -18.388 0.349 4.937 1.00 0.00 O ATOM 1118 CB THR A 70 -18.287 3.570 5.288 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.239 4.417 5.880 1.00 0.00 O ATOM 1120 CG2 THR A 70 -18.759 3.134 3.913 1.00 0.00 C ATOM 0 H THR A 70 -16.121 3.121 6.612 1.00 0.00 H new ATOM 0 HA THR A 70 -18.918 2.115 6.753 1.00 0.00 H new ATOM 0 HB THR A 70 -17.349 4.110 5.160 1.00 0.00 H new ATOM 0 HG1 THR A 70 -18.852 4.839 6.675 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.939 4.013 3.294 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.995 2.512 3.446 1.00 0.00 H new ATOM 0 HG23 THR A 70 -19.683 2.563 4.009 1.00 0.00 H new ATOM 1128 N GLY A 71 -16.258 1.162 5.119 1.00 0.00 N ATOM 1129 CA GLY A 71 -15.713 0.103 4.307 1.00 0.00 C ATOM 1130 C GLY A 71 -14.947 0.644 3.089 1.00 0.00 C ATOM 1131 O GLY A 71 -14.102 -0.029 2.510 1.00 0.00 O ATOM 0 H GLY A 71 -15.586 1.842 5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -15.045 -0.510 4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.521 -0.546 3.968 1.00 0.00 H new ATOM 1135 N LYS A 72 -15.301 1.897 2.745 1.00 0.00 N ATOM 1136 CA LYS A 72 -14.657 2.515 1.595 1.00 0.00 C ATOM 1137 C LYS A 72 -13.274 3.025 1.985 1.00 0.00 C ATOM 1138 O LYS A 72 -13.126 4.005 2.702 1.00 0.00 O ATOM 1139 CB LYS A 72 -15.516 3.667 1.080 1.00 0.00 C ATOM 1140 CG LYS A 72 -15.952 4.601 2.212 1.00 0.00 C ATOM 1141 CD LYS A 72 -16.561 5.894 1.668 1.00 0.00 C ATOM 1142 CE LYS A 72 -18.089 5.855 1.701 1.00 0.00 C ATOM 1143 NZ LYS A 72 -18.630 4.695 1.003 1.00 0.00 N ATOM 0 H LYS A 72 -15.995 2.469 3.226 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.547 1.773 0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.956 4.234 0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.397 3.267 0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.680 4.093 2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.094 4.838 2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.205 6.740 2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.223 6.053 0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.427 5.843 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.483 6.765 1.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.669 4.722 1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.317 4.709 0.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.291 3.825 1.461 1.00 0.00 H new ATOM 1157 N LEU A 73 -12.272 2.326 1.425 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.914 2.720 1.723 1.00 0.00 C ATOM 1159 C LEU A 73 -10.596 3.948 0.882 1.00 0.00 C ATOM 1160 O LEU A 73 -10.797 3.971 -0.325 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.968 1.571 1.390 1.00 0.00 C ATOM 1162 CG LEU A 73 -10.212 0.359 2.290 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -9.347 -0.820 1.846 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -9.918 0.711 3.750 1.00 0.00 C ATOM 0 H LEU A 73 -12.380 1.529 0.798 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.794 2.957 2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.099 1.282 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.936 1.905 1.501 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.260 0.072 2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.533 -1.674 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.595 -1.087 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.295 -0.542 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.096 -0.162 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.878 1.021 3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.570 1.525 4.067 1.00 0.00 H new ATOM 1176 N SER A 74 -10.091 4.965 1.596 1.00 0.00 N ATOM 1177 CA SER A 74 -9.803 6.203 0.895 1.00 0.00 C ATOM 1178 C SER A 74 -8.502 6.825 1.396 1.00 0.00 C ATOM 1179 O SER A 74 -7.735 6.231 2.144 1.00 0.00 O ATOM 1180 CB SER A 74 -10.969 7.164 1.114 1.00 0.00 C ATOM 1181 OG SER A 74 -10.780 8.356 0.398 1.00 0.00 O ATOM 0 H SER A 74 -9.887 4.953 2.595 1.00 0.00 H new ATOM 0 HA SER A 74 -9.681 5.998 -0.169 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.899 6.690 0.800 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.067 7.386 2.177 1.00 0.00 H new ATOM 0 HG SER A 74 -10.246 8.175 -0.403 1.00 0.00 H new ATOM 1187 N ILE A 75 -8.325 8.071 0.919 1.00 0.00 N ATOM 1188 CA ILE A 75 -7.137 8.815 1.291 1.00 0.00 C ATOM 1189 C ILE A 75 -7.483 10.304 1.313 1.00 0.00 C ATOM 1190 O ILE A 75 -8.213 10.803 0.465 1.00 0.00 O ATOM 1191 CB ILE A 75 -6.041 8.562 0.258 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.839 7.068 0.031 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -4.720 9.208 0.686 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.560 6.809 -0.771 1.00 0.00 C ATOM 0 H ILE A 75 -8.971 8.558 0.298 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.786 8.499 2.274 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.363 9.017 -0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.783 6.554 0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.697 6.657 -0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.958 9.012 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.858 10.284 0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.402 8.789 1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.436 5.737 -0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.631 7.305 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.702 7.201 -0.224 1.00 0.00 H new ATOM 1206 N PRO A 76 -6.921 10.994 2.329 1.00 0.00 N ATOM 1207 CA PRO A 76 -7.121 12.419 2.488 1.00 0.00 C ATOM 1208 C PRO A 76 -6.745 13.171 1.211 1.00 0.00 C ATOM 1209 O PRO A 76 -7.581 13.736 0.517 1.00 0.00 O ATOM 1210 CB PRO A 76 -6.208 12.838 3.644 1.00 0.00 C ATOM 1211 CG PRO A 76 -5.544 11.558 4.181 1.00 0.00 C ATOM 1212 CD PRO A 76 -6.068 10.393 3.337 1.00 0.00 C ATOM 0 HA PRO A 76 -8.166 12.652 2.691 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.455 13.549 3.303 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.781 13.333 4.428 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.459 11.628 4.110 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.786 11.411 5.234 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.248 9.841 2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.625 9.684 3.950 1.00 0.00 H new ATOM 1220 N GLU A 77 -5.427 13.131 0.961 1.00 0.00 N ATOM 1221 CA GLU A 77 -4.919 13.790 -0.232 1.00 0.00 C ATOM 1222 C GLU A 77 -5.073 12.865 -1.450 1.00 0.00 C ATOM 1223 O GLU A 77 -5.337 13.306 -2.561 1.00 0.00 O ATOM 1224 CB GLU A 77 -3.453 14.152 -0.016 1.00 0.00 C ATOM 1225 CG GLU A 77 -3.262 14.970 1.261 1.00 0.00 C ATOM 1226 CD GLU A 77 -3.838 16.374 1.071 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -5.051 16.495 0.910 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -3.066 17.332 1.086 1.00 0.00 O ATOM 0 H GLU A 77 -4.729 12.670 1.544 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.489 14.700 -0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.857 13.241 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.087 14.720 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.756 14.475 2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.202 15.033 1.508 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.885 11.559 -1.160 1.00 0.00 N ATOM 1236 CA GLY A 78 -5.001 10.575 -2.225 1.00 0.00 C ATOM 1237 C GLY A 78 -6.356 10.688 -2.935 1.00 0.00 C ATOM 1238 O GLY A 78 -6.700 11.708 -3.520 1.00 0.00 O ATOM 0 H GLY A 78 -4.663 11.186 -0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.196 10.718 -2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.885 9.573 -1.813 1.00 0.00 H new ATOM 1242 N LYS A 79 -7.092 9.563 -2.844 1.00 0.00 N ATOM 1243 CA LYS A 79 -8.404 9.530 -3.464 1.00 0.00 C ATOM 1244 C LYS A 79 -9.383 8.793 -2.548 1.00 0.00 C ATOM 1245 O LYS A 79 -9.387 8.950 -1.335 1.00 0.00 O ATOM 1246 CB LYS A 79 -8.300 8.826 -4.814 1.00 0.00 C ATOM 1247 CG LYS A 79 -9.412 9.259 -5.769 1.00 0.00 C ATOM 1248 CD LYS A 79 -8.842 9.723 -7.108 1.00 0.00 C ATOM 1249 CE LYS A 79 -9.912 10.390 -7.974 1.00 0.00 C ATOM 1250 NZ LYS A 79 -10.537 11.525 -7.305 1.00 0.00 N ATOM 0 H LYS A 79 -6.806 8.708 -2.367 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.770 10.545 -3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.331 9.043 -5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.348 7.747 -4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.099 8.428 -5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.989 10.066 -5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.025 10.424 -6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.422 8.870 -7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.463 10.725 -8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.676 9.657 -8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.639 12.311 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.475 11.247 -6.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.943 11.827 -6.506 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.197 7.983 -3.234 1.00 0.00 N ATOM 1265 CA LYS A 80 -11.196 7.192 -2.526 1.00 0.00 C ATOM 1266 C LYS A 80 -11.470 5.918 -3.327 1.00 0.00 C ATOM 1267 O LYS A 80 -11.441 5.916 -4.552 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.475 8.009 -2.357 1.00 0.00 C ATOM 1269 CG LYS A 80 -13.009 8.503 -3.701 1.00 0.00 C ATOM 1270 CD LYS A 80 -14.301 9.303 -3.531 1.00 0.00 C ATOM 1271 CE LYS A 80 -14.162 10.364 -2.440 1.00 0.00 C ATOM 1272 NZ LYS A 80 -15.344 11.212 -2.334 1.00 0.00 N ATOM 0 H LYS A 80 -10.183 7.863 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.831 6.922 -1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.234 7.400 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.279 8.862 -1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.256 9.124 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.191 7.651 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.561 9.782 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.119 8.627 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.982 9.875 -1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.291 10.985 -2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.201 11.915 -1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.503 11.701 -3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.173 10.626 -2.107 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.735 4.837 -2.566 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.983 3.587 -3.232 1.00 0.00 C ATOM 1288 C PHE A 81 -12.837 2.664 -2.363 1.00 0.00 C ATOM 1289 O PHE A 81 -13.102 2.921 -1.192 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.646 2.938 -3.500 1.00 0.00 C ATOM 1291 CG PHE A 81 -9.886 3.678 -4.559 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.161 3.449 -5.929 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.885 4.613 -4.200 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -9.444 4.146 -6.928 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.168 5.309 -5.198 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.447 5.076 -6.561 1.00 0.00 C ATOM 0 H PHE A 81 -11.777 4.820 -1.547 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.525 3.766 -4.160 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -10.061 2.911 -2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.797 1.905 -3.812 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -10.923 2.738 -6.212 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.669 4.795 -3.158 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.659 3.967 -7.971 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.405 6.020 -4.917 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.898 5.609 -7.324 1.00 0.00 H new ATOM 1306 N ASP A 82 -13.220 1.557 -3.026 1.00 0.00 N ATOM 1307 CA ASP A 82 -14.038 0.575 -2.340 1.00 0.00 C ATOM 1308 C ASP A 82 -13.138 -0.377 -1.554 1.00 0.00 C ATOM 1309 O ASP A 82 -13.392 -0.694 -0.398 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.871 -0.195 -3.361 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.890 -1.078 -2.637 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -15.532 -1.680 -1.625 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -17.030 -1.154 -3.094 1.00 0.00 O ATOM 0 H ASP A 82 -12.983 1.337 -3.993 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.712 1.075 -1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.385 0.501 -4.024 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.222 -0.809 -3.985 1.00 0.00 H new ATOM 1318 N THR A 83 -12.070 -0.811 -2.256 1.00 0.00 N ATOM 1319 CA THR A 83 -11.146 -1.711 -1.613 1.00 0.00 C ATOM 1320 C THR A 83 -9.757 -1.424 -2.156 1.00 0.00 C ATOM 1321 O THR A 83 -9.580 -0.707 -3.133 1.00 0.00 O ATOM 1322 CB THR A 83 -11.550 -3.157 -1.895 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.777 -3.317 -3.274 1.00 0.00 O ATOM 1324 CG2 THR A 83 -12.805 -3.556 -1.120 1.00 0.00 C ATOM 0 H THR A 83 -11.849 -0.558 -3.219 1.00 0.00 H new ATOM 0 HA THR A 83 -11.156 -1.565 -0.533 1.00 0.00 H new ATOM 0 HB THR A 83 -10.736 -3.805 -1.568 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.035 -4.245 -3.458 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.060 -4.591 -1.348 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.620 -3.455 -0.051 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.632 -2.907 -1.408 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.790 -2.029 -1.463 1.00 0.00 N ATOM 1333 CA LEU A 84 -7.430 -1.848 -1.862 1.00 0.00 C ATOM 1334 C LEU A 84 -7.155 -2.398 -3.259 1.00 0.00 C ATOM 1335 O LEU A 84 -6.054 -2.309 -3.775 1.00 0.00 O ATOM 1336 CB LEU A 84 -6.612 -2.612 -0.856 1.00 0.00 C ATOM 1337 CG LEU A 84 -5.939 -1.706 0.161 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -4.963 -2.520 1.002 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -5.225 -0.550 -0.537 1.00 0.00 C ATOM 0 H LEU A 84 -8.935 -2.627 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.186 -0.786 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.254 -3.322 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.852 -3.193 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.698 -1.279 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.481 -1.869 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.503 -3.311 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.206 -2.963 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.749 0.087 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.467 -0.946 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.948 0.034 -1.105 1.00 0.00 H new ATOM 1351 N TRP A 85 -8.215 -2.968 -3.819 1.00 0.00 N ATOM 1352 CA TRP A 85 -8.086 -3.535 -5.150 1.00 0.00 C ATOM 1353 C TRP A 85 -8.316 -2.462 -6.189 1.00 0.00 C ATOM 1354 O TRP A 85 -7.770 -2.486 -7.286 1.00 0.00 O ATOM 1355 CB TRP A 85 -9.135 -4.622 -5.315 1.00 0.00 C ATOM 1356 CG TRP A 85 -8.464 -5.944 -5.591 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -7.558 -6.185 -6.621 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -8.630 -7.165 -4.872 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -7.158 -7.491 -6.574 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -7.795 -8.136 -5.507 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -9.398 -7.511 -3.767 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -7.742 -9.439 -5.028 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -9.350 -8.837 -3.270 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -8.522 -9.803 -3.902 1.00 0.00 C ATOM 0 H TRP A 85 -9.138 -3.048 -3.391 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.086 -3.949 -5.279 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -9.742 -4.694 -4.413 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -9.809 -4.368 -6.133 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -7.224 -5.455 -7.343 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -6.498 -7.928 -7.217 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -10.027 -6.774 -3.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -7.110 -10.170 -5.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -9.943 -9.113 -2.411 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -8.487 -10.814 -3.525 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.158 -1.525 -5.766 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.470 -0.446 -6.672 1.00 0.00 C ATOM 1377 C GLN A 86 -8.485 0.676 -6.465 1.00 0.00 C ATOM 1378 O GLN A 86 -7.988 1.271 -7.398 1.00 0.00 O ATOM 1379 CB GLN A 86 -10.904 0.029 -6.451 1.00 0.00 C ATOM 1380 CG GLN A 86 -11.920 -1.046 -6.839 1.00 0.00 C ATOM 1381 CD GLN A 86 -11.876 -1.278 -8.350 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -10.990 -2.223 -8.711 1.00 0.00 O flip ATOM 1383 NE2 GLN A 86 -12.591 -0.651 -9.122 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.611 -1.494 -4.853 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.391 -0.794 -7.702 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.041 0.299 -5.404 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.084 0.929 -7.038 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.700 -1.975 -6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.921 -0.739 -6.538 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.238 0.051 -8.762 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.540 -0.831 -10.125 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.219 0.920 -5.192 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.274 1.969 -4.919 1.00 0.00 C ATOM 1394 C LEU A 87 -5.896 1.594 -5.461 1.00 0.00 C ATOM 1395 O LEU A 87 -5.110 2.451 -5.833 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.223 2.210 -3.416 1.00 0.00 C ATOM 1397 CG LEU A 87 -6.226 3.301 -3.052 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -6.476 3.786 -1.626 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.798 2.775 -3.200 1.00 0.00 C ATOM 0 H LEU A 87 -8.617 0.439 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.587 2.887 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.214 2.490 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.951 1.285 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.357 4.144 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.757 4.566 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.487 4.186 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.362 2.952 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.091 3.562 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.654 1.922 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.629 2.465 -4.231 1.00 0.00 H new ATOM 1411 N VAL A 88 -5.659 0.271 -5.508 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.390 -0.172 -5.990 1.00 0.00 C ATOM 1413 C VAL A 88 -4.381 -0.194 -7.498 1.00 0.00 C ATOM 1414 O VAL A 88 -3.458 0.277 -8.129 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.122 -1.569 -5.489 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.066 -2.207 -6.367 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.682 -1.543 -4.030 1.00 0.00 C ATOM 0 H VAL A 88 -6.311 -0.461 -5.227 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.623 0.514 -5.631 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.037 -2.160 -5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.863 -3.218 -6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.423 -2.246 -7.396 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.151 -1.617 -6.323 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.494 -2.561 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.770 -0.954 -3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.467 -1.095 -3.421 1.00 0.00 H new ATOM 1427 N GLU A 89 -5.442 -0.814 -8.035 1.00 0.00 N ATOM 1428 CA GLU A 89 -5.477 -0.908 -9.477 1.00 0.00 C ATOM 1429 C GLU A 89 -5.534 0.473 -10.087 1.00 0.00 C ATOM 1430 O GLU A 89 -4.860 0.782 -11.061 1.00 0.00 O ATOM 1431 CB GLU A 89 -6.661 -1.728 -9.911 1.00 0.00 C ATOM 1432 CG GLU A 89 -7.978 -1.086 -9.528 1.00 0.00 C ATOM 1433 CD GLU A 89 -8.607 -0.410 -10.748 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -9.129 -1.119 -11.608 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -8.569 0.817 -10.824 1.00 0.00 O ATOM 0 H GLU A 89 -6.226 -1.225 -7.528 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.568 -1.400 -9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.628 -1.866 -10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.598 -2.719 -9.461 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.657 -1.840 -9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.818 -0.352 -8.738 1.00 0.00 H new ATOM 1442 N HIS A 90 -6.381 1.281 -9.450 1.00 0.00 N ATOM 1443 CA HIS A 90 -6.515 2.629 -9.965 1.00 0.00 C ATOM 1444 C HIS A 90 -5.162 3.287 -9.984 1.00 0.00 C ATOM 1445 O HIS A 90 -4.677 3.760 -10.997 1.00 0.00 O ATOM 1446 CB HIS A 90 -7.465 3.437 -9.102 1.00 0.00 C ATOM 1447 CG HIS A 90 -8.126 4.502 -9.943 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -8.961 4.240 -10.972 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -8.004 5.899 -9.824 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -9.338 5.429 -11.469 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -8.775 6.447 -10.793 1.00 0.00 N ATOM 0 H HIS A 90 -6.946 1.044 -8.634 1.00 0.00 H new ATOM 0 HA HIS A 90 -6.920 2.585 -10.976 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.220 2.784 -8.664 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -6.922 3.896 -8.276 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -7.409 6.433 -9.098 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.009 5.553 -12.306 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.904 7.442 -10.976 1.00 0.00 H new ATOM 1459 N TYR A 91 -4.605 3.294 -8.786 1.00 0.00 N ATOM 1460 CA TYR A 91 -3.296 3.890 -8.640 1.00 0.00 C ATOM 1461 C TYR A 91 -2.287 3.150 -9.517 1.00 0.00 C ATOM 1462 O TYR A 91 -1.257 3.692 -9.898 1.00 0.00 O ATOM 1463 CB TYR A 91 -2.878 3.875 -7.184 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.386 5.108 -6.481 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -4.632 5.675 -6.854 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -2.642 5.713 -5.437 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -5.129 6.818 -6.194 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.144 6.862 -4.778 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.385 7.410 -5.155 1.00 0.00 C ATOM 1470 OH TYR A 91 -4.872 8.527 -4.508 1.00 0.00 O ATOM 0 H TYR A 91 -5.019 2.911 -7.936 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.331 4.929 -8.968 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.269 2.983 -6.696 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.791 3.828 -7.111 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.206 5.227 -7.652 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.690 5.297 -5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.080 7.239 -6.485 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.573 7.319 -3.984 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.227 9.260 -4.590 1.00 0.00 H new ATOM 1480 N SER A 92 -2.635 1.880 -9.820 1.00 0.00 N ATOM 1481 CA SER A 92 -1.752 1.134 -10.698 1.00 0.00 C ATOM 1482 C SER A 92 -1.669 1.848 -12.051 1.00 0.00 C ATOM 1483 O SER A 92 -0.823 1.568 -12.891 1.00 0.00 O ATOM 1484 CB SER A 92 -2.333 -0.244 -10.883 1.00 0.00 C ATOM 1485 OG SER A 92 -1.342 -1.235 -10.783 1.00 0.00 O ATOM 0 H SER A 92 -3.466 1.389 -9.489 1.00 0.00 H new ATOM 0 HA SER A 92 -0.752 1.064 -10.271 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.103 -0.420 -10.132 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.818 -0.309 -11.857 1.00 0.00 H new ATOM 0 HG SER A 92 -1.749 -2.118 -10.905 1.00 0.00 H new ATOM 1491 N TYR A 93 -2.619 2.789 -12.182 1.00 0.00 N ATOM 1492 CA TYR A 93 -2.707 3.557 -13.397 1.00 0.00 C ATOM 1493 C TYR A 93 -1.835 4.784 -13.260 1.00 0.00 C ATOM 1494 O TYR A 93 -0.929 5.038 -14.040 1.00 0.00 O ATOM 1495 CB TYR A 93 -4.149 4.009 -13.595 1.00 0.00 C ATOM 1496 CG TYR A 93 -5.125 2.863 -13.577 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -4.681 1.525 -13.737 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -6.505 3.116 -13.397 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -5.608 0.458 -13.721 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -7.432 2.049 -13.382 1.00 0.00 C ATOM 1501 CZ TYR A 93 -6.984 0.721 -13.543 1.00 0.00 C ATOM 1502 OH TYR A 93 -7.889 -0.320 -13.527 1.00 0.00 O ATOM 0 H TYR A 93 -3.313 3.019 -11.471 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.383 2.952 -14.244 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.414 4.719 -12.811 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -4.233 4.537 -14.545 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.629 1.321 -13.872 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.853 4.131 -13.270 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.264 -0.558 -13.845 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -8.484 2.251 -13.247 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.656 -0.078 -12.967 1.00 0.00 H new ATOM 1512 N LYS A 94 -2.239 5.541 -12.231 1.00 0.00 N ATOM 1513 CA LYS A 94 -1.557 6.756 -11.913 1.00 0.00 C ATOM 1514 C LYS A 94 -1.241 6.840 -10.437 1.00 0.00 C ATOM 1515 O LYS A 94 -1.527 5.962 -9.634 1.00 0.00 O ATOM 1516 CB LYS A 94 -2.501 7.884 -12.217 1.00 0.00 C ATOM 1517 CG LYS A 94 -3.871 7.620 -11.579 1.00 0.00 C ATOM 1518 CD LYS A 94 -4.868 8.737 -11.883 1.00 0.00 C ATOM 1519 CE LYS A 94 -6.137 8.187 -12.536 1.00 0.00 C ATOM 1520 NZ LYS A 94 -7.125 9.227 -12.799 1.00 0.00 N ATOM 0 H LYS A 94 -3.028 5.318 -11.624 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.629 6.801 -12.483 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.092 8.821 -11.840 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.610 7.995 -13.296 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.265 6.672 -11.946 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.755 7.521 -10.500 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.127 9.257 -10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.405 9.471 -12.543 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.876 7.694 -13.472 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.576 7.429 -11.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.966 8.803 -13.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.397 9.682 -11.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.718 9.938 -13.439 1.00 0.00 H new ATOM 1534 N ALA A 95 -0.639 7.991 -10.168 1.00 0.00 N ATOM 1535 CA ALA A 95 -0.295 8.313 -8.800 1.00 0.00 C ATOM 1536 C ALA A 95 -1.554 8.835 -8.098 1.00 0.00 C ATOM 1537 O ALA A 95 -1.861 8.481 -6.970 1.00 0.00 O ATOM 1538 CB ALA A 95 0.809 9.368 -8.786 1.00 0.00 C ATOM 0 H ALA A 95 -0.387 8.696 -10.861 1.00 0.00 H new ATOM 0 HA ALA A 95 0.072 7.430 -8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.068 9.610 -7.755 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.689 8.981 -9.300 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.459 10.267 -9.293 1.00 0.00 H new ATOM 1544 N ASP A 96 -2.272 9.687 -8.860 1.00 0.00 N ATOM 1545 CA ASP A 96 -3.503 10.253 -8.313 1.00 0.00 C ATOM 1546 C ASP A 96 -3.209 11.287 -7.225 1.00 0.00 C ATOM 1547 O ASP A 96 -4.080 12.011 -6.758 1.00 0.00 O ATOM 1548 CB ASP A 96 -4.357 9.135 -7.756 1.00 0.00 C ATOM 1549 CG ASP A 96 -5.653 9.016 -8.559 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -6.470 9.933 -8.495 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -5.830 8.007 -9.240 1.00 0.00 O ATOM 0 H ASP A 96 -2.031 9.981 -9.806 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.037 10.764 -9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.808 8.194 -7.794 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.586 9.329 -6.708 1.00 0.00 H new ATOM 1556 N GLY A 97 -1.932 11.294 -6.871 1.00 0.00 N ATOM 1557 CA GLY A 97 -1.480 12.216 -5.845 1.00 0.00 C ATOM 1558 C GLY A 97 -0.160 11.758 -5.206 1.00 0.00 C ATOM 1559 O GLY A 97 0.565 12.539 -4.602 1.00 0.00 O ATOM 0 H GLY A 97 -1.211 10.690 -7.266 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.349 13.207 -6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.245 12.305 -5.074 1.00 0.00 H new ATOM 1563 N LEU A 98 0.092 10.443 -5.371 1.00 0.00 N ATOM 1564 CA LEU A 98 1.301 9.890 -4.804 1.00 0.00 C ATOM 1565 C LEU A 98 2.490 10.721 -5.263 1.00 0.00 C ATOM 1566 O LEU A 98 2.353 11.787 -5.850 1.00 0.00 O ATOM 1567 CB LEU A 98 1.486 8.468 -5.314 1.00 0.00 C ATOM 1568 CG LEU A 98 0.265 7.609 -5.051 1.00 0.00 C ATOM 1569 CD1 LEU A 98 0.318 6.341 -5.893 1.00 0.00 C ATOM 1570 CD2 LEU A 98 0.184 7.275 -3.565 1.00 0.00 C ATOM 0 H LEU A 98 -0.505 9.784 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 98 1.231 9.896 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.690 8.490 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.355 8.020 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.631 8.161 -5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.565 5.734 -5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.344 6.607 -6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.213 5.773 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.695 6.657 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.080 6.732 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.109 8.197 -2.988 1.00 0.00 H new ATOM 1582 N LEU A 99 3.663 10.148 -4.964 1.00 0.00 N ATOM 1583 CA LEU A 99 4.877 10.798 -5.411 1.00 0.00 C ATOM 1584 C LEU A 99 5.025 10.513 -6.911 1.00 0.00 C ATOM 1585 O LEU A 99 5.383 11.371 -7.709 1.00 0.00 O ATOM 1586 CB LEU A 99 6.068 10.247 -4.631 1.00 0.00 C ATOM 1587 CG LEU A 99 7.137 11.313 -4.399 1.00 0.00 C ATOM 1588 CD1 LEU A 99 7.704 11.805 -5.729 1.00 0.00 C ATOM 1589 CD2 LEU A 99 6.556 12.481 -3.603 1.00 0.00 C ATOM 0 H LEU A 99 3.786 9.281 -4.441 1.00 0.00 H new ATOM 0 HA LEU A 99 4.836 11.874 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.726 9.860 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.503 9.409 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 99 7.949 10.868 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.464 12.564 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.151 10.968 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.902 12.235 -6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.329 13.233 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.728 12.922 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.197 12.121 -2.639 1.00 0.00 H new ATOM 1601 N ARG A 100 4.713 9.236 -7.219 1.00 0.00 N ATOM 1602 CA ARG A 100 4.768 8.790 -8.592 1.00 0.00 C ATOM 1603 C ARG A 100 3.836 7.585 -8.741 1.00 0.00 C ATOM 1604 O ARG A 100 3.556 6.870 -7.788 1.00 0.00 O ATOM 1605 CB ARG A 100 6.195 8.392 -8.924 1.00 0.00 C ATOM 1606 CG ARG A 100 6.445 8.352 -10.432 1.00 0.00 C ATOM 1607 CD ARG A 100 6.620 9.756 -11.010 1.00 0.00 C ATOM 1608 NE ARG A 100 7.602 9.741 -12.079 1.00 0.00 N ATOM 1609 CZ ARG A 100 7.202 9.406 -13.320 1.00 0.00 C ATOM 1610 NH1 ARG A 100 5.928 9.101 -13.552 1.00 0.00 N ATOM 1611 NH2 ARG A 100 8.083 9.380 -14.316 1.00 0.00 N ATOM 0 H ARG A 100 4.430 8.527 -6.543 1.00 0.00 H new ATOM 0 HA ARG A 100 4.454 9.583 -9.271 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.885 9.098 -8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.407 7.412 -8.496 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.336 7.759 -10.638 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.610 7.855 -10.927 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.666 10.123 -11.388 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.937 10.443 -10.225 1.00 0.00 H new ATOM 0 HE ARG A 100 8.576 9.980 -11.893 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.252 9.121 -12.789 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.628 8.848 -14.493 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.060 9.614 -14.139 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.782 9.126 -15.257 1.00 0.00 H new ATOM 1625 N VAL A 101 3.376 7.412 -9.989 1.00 0.00 N ATOM 1626 CA VAL A 101 2.497 6.306 -10.258 1.00 0.00 C ATOM 1627 C VAL A 101 3.132 5.013 -9.751 1.00 0.00 C ATOM 1628 O VAL A 101 4.262 4.982 -9.280 1.00 0.00 O ATOM 1629 CB VAL A 101 2.324 6.197 -11.757 1.00 0.00 C ATOM 1630 CG1 VAL A 101 1.144 5.316 -12.081 1.00 0.00 C ATOM 1631 CG2 VAL A 101 2.153 7.578 -12.392 1.00 0.00 C ATOM 0 H VAL A 101 3.597 8.007 -10.788 1.00 0.00 H new ATOM 0 HA VAL A 101 1.539 6.463 -9.763 1.00 0.00 H new ATOM 0 HB VAL A 101 3.225 5.746 -12.174 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.029 5.245 -13.163 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.308 4.321 -11.667 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.240 5.744 -11.648 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.031 7.470 -13.470 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.272 8.064 -11.974 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.035 8.185 -12.186 1.00 0.00 H new ATOM 1641 N LEU A 102 2.319 3.960 -9.892 1.00 0.00 N ATOM 1642 CA LEU A 102 2.790 2.640 -9.518 1.00 0.00 C ATOM 1643 C LEU A 102 3.140 1.894 -10.790 1.00 0.00 C ATOM 1644 O LEU A 102 2.624 2.163 -11.868 1.00 0.00 O ATOM 1645 CB LEU A 102 1.710 1.878 -8.782 1.00 0.00 C ATOM 1646 CG LEU A 102 1.472 2.396 -7.363 1.00 0.00 C ATOM 1647 CD1 LEU A 102 1.487 3.919 -7.308 1.00 0.00 C ATOM 1648 CD2 LEU A 102 0.142 1.867 -6.832 1.00 0.00 C ATOM 0 H LEU A 102 1.365 4.000 -10.251 1.00 0.00 H new ATOM 0 HA LEU A 102 3.656 2.732 -8.863 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.780 1.942 -9.346 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.984 0.824 -8.737 1.00 0.00 H new ATOM 0 HG LEU A 102 2.286 2.034 -6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.314 4.248 -6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.455 4.286 -7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.702 4.314 -7.953 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.020 2.240 -5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.668 2.205 -7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.164 0.777 -6.817 1.00 0.00 H new ATOM 1660 N THR A 103 4.048 0.948 -10.585 1.00 0.00 N ATOM 1661 CA THR A 103 4.495 0.175 -11.716 1.00 0.00 C ATOM 1662 C THR A 103 4.950 -1.226 -11.282 1.00 0.00 C ATOM 1663 O THR A 103 4.755 -2.211 -11.983 1.00 0.00 O ATOM 1664 CB THR A 103 5.635 0.961 -12.362 1.00 0.00 C ATOM 1665 OG1 THR A 103 5.227 1.436 -13.619 1.00 0.00 O ATOM 1666 CG2 THR A 103 6.899 0.136 -12.511 1.00 0.00 C ATOM 0 H THR A 103 4.468 0.711 -9.686 1.00 0.00 H new ATOM 0 HA THR A 103 3.685 0.022 -12.429 1.00 0.00 H new ATOM 0 HB THR A 103 5.870 1.795 -11.701 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.959 1.941 -14.031 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.677 0.742 -12.975 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.235 -0.195 -11.528 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.695 -0.733 -13.137 1.00 0.00 H new ATOM 1674 N VAL A 104 5.566 -1.245 -10.085 1.00 0.00 N ATOM 1675 CA VAL A 104 6.088 -2.529 -9.599 1.00 0.00 C ATOM 1676 C VAL A 104 5.717 -2.799 -8.139 1.00 0.00 C ATOM 1677 O VAL A 104 5.627 -1.896 -7.324 1.00 0.00 O ATOM 1678 CB VAL A 104 7.612 -2.485 -9.690 1.00 0.00 C ATOM 1679 CG1 VAL A 104 8.240 -3.763 -9.134 1.00 0.00 C ATOM 1680 CG2 VAL A 104 8.069 -2.279 -11.131 1.00 0.00 C ATOM 0 H VAL A 104 5.708 -0.441 -9.473 1.00 0.00 H new ATOM 0 HA VAL A 104 5.653 -3.319 -10.212 1.00 0.00 H new ATOM 0 HB VAL A 104 7.945 -1.640 -9.087 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.325 -3.700 -9.214 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.959 -3.881 -8.087 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.884 -4.621 -9.704 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.158 -2.252 -11.167 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.706 -3.101 -11.749 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.670 -1.338 -11.508 1.00 0.00 H new ATOM 1690 N PRO A 105 5.501 -4.118 -7.854 1.00 0.00 N ATOM 1691 CA PRO A 105 5.238 -4.593 -6.505 1.00 0.00 C ATOM 1692 C PRO A 105 6.559 -4.638 -5.722 1.00 0.00 C ATOM 1693 O PRO A 105 7.607 -4.960 -6.266 1.00 0.00 O ATOM 1694 CB PRO A 105 4.676 -6.006 -6.664 1.00 0.00 C ATOM 1695 CG PRO A 105 4.918 -6.414 -8.125 1.00 0.00 C ATOM 1696 CD PRO A 105 5.388 -5.156 -8.867 1.00 0.00 C ATOM 0 HA PRO A 105 4.544 -3.947 -5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.170 -6.698 -5.982 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.612 -6.029 -6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.669 -7.202 -8.187 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.005 -6.808 -8.572 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.345 -5.327 -9.360 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.677 -4.870 -9.642 1.00 0.00 H new ATOM 1704 N CYS A 106 6.453 -4.305 -4.430 1.00 0.00 N ATOM 1705 CA CYS A 106 7.684 -4.268 -3.645 1.00 0.00 C ATOM 1706 C CYS A 106 8.118 -5.651 -3.198 1.00 0.00 C ATOM 1707 O CYS A 106 9.231 -6.090 -3.460 1.00 0.00 O ATOM 1708 CB CYS A 106 7.502 -3.399 -2.416 1.00 0.00 C ATOM 1709 SG CYS A 106 9.077 -2.943 -1.656 1.00 0.00 S ATOM 0 H CYS A 106 5.591 -4.073 -3.936 1.00 0.00 H new ATOM 0 HA CYS A 106 8.456 -3.853 -4.293 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.959 -2.495 -2.691 1.00 0.00 H new ATOM 0 HB3 CYS A 106 6.890 -3.929 -1.687 1.00 0.00 H new ATOM 0 HG CYS A 106 9.011 -3.134 -0.372 1.00 0.00 H new ATOM 1715 N GLN A 107 7.178 -6.294 -2.489 1.00 0.00 N ATOM 1716 CA GLN A 107 7.478 -7.587 -1.950 1.00 0.00 C ATOM 1717 C GLN A 107 8.342 -8.401 -2.879 1.00 0.00 C ATOM 1718 O GLN A 107 8.465 -8.168 -4.076 1.00 0.00 O ATOM 1719 CB GLN A 107 6.201 -8.314 -1.652 1.00 0.00 C ATOM 1720 CG GLN A 107 6.252 -8.962 -0.276 1.00 0.00 C ATOM 1721 CD GLN A 107 7.127 -10.216 -0.297 1.00 0.00 C ATOM 1722 OE1 GLN A 107 7.024 -11.062 -1.177 1.00 0.00 O ATOM 1723 NE2 GLN A 107 7.992 -10.270 0.732 1.00 0.00 N ATOM 0 H GLN A 107 6.242 -5.939 -2.292 1.00 0.00 H new ATOM 0 HA GLN A 107 8.044 -7.445 -1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.363 -7.619 -1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.027 -9.077 -2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.645 -8.251 0.451 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.244 -9.222 0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.011 -9.519 1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.629 -11.062 0.822 1.00 0.00 H new ATOM 1857 N GLU B 3 3.770 10.083 3.714 1.00 0.00 N ATOM 1858 CA GLU B 3 3.992 11.166 2.773 1.00 0.00 C ATOM 1859 C GLU B 3 2.659 11.853 2.555 1.00 0.00 C ATOM 1860 O GLU B 3 1.664 11.528 3.191 1.00 0.00 O ATOM 1861 CB GLU B 3 4.538 10.641 1.459 1.00 0.00 C ATOM 1862 CG GLU B 3 6.047 10.808 1.405 1.00 0.00 C ATOM 1863 CD GLU B 3 6.418 11.954 0.463 1.00 0.00 C ATOM 1864 OE1 GLU B 3 5.737 12.129 -0.545 1.00 0.00 O ATOM 1865 OE2 GLU B 3 7.383 12.660 0.750 1.00 0.00 O ATOM 0 HA GLU B 3 4.728 11.865 3.169 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.278 9.588 1.345 1.00 0.00 H new ATOM 0 HB3 GLU B 3 4.077 11.175 0.628 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.434 11.009 2.404 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.511 9.882 1.064 1.00 0.00 H new ATOM 1872 N THR B 4 2.685 12.817 1.625 1.00 0.00 N ATOM 1873 CA THR B 4 1.443 13.500 1.354 1.00 0.00 C ATOM 1874 C THR B 4 0.980 13.183 -0.052 1.00 0.00 C ATOM 1875 O THR B 4 1.532 13.618 -1.056 1.00 0.00 O ATOM 1876 CB THR B 4 1.605 14.997 1.565 1.00 0.00 C ATOM 1877 OG1 THR B 4 2.918 15.386 1.236 1.00 0.00 O ATOM 1878 CG2 THR B 4 1.297 15.402 3.006 1.00 0.00 C ATOM 0 H THR B 4 3.498 13.117 1.088 1.00 0.00 H new ATOM 0 HA THR B 4 0.679 13.151 2.049 1.00 0.00 H new ATOM 0 HB THR B 4 0.892 15.503 0.914 1.00 0.00 H new ATOM 0 HG1 THR B 4 3.017 16.351 1.372 1.00 0.00 H new ATOM 0 HG21 THR B 4 1.424 16.479 3.116 1.00 0.00 H new ATOM 0 HG22 THR B 4 0.269 15.131 3.248 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.978 14.885 3.683 1.00 0.00 H new ATOM 1886 N LEU B 5 -0.079 12.372 -0.016 1.00 0.00 N ATOM 1887 CA LEU B 5 -0.681 11.911 -1.230 1.00 0.00 C ATOM 1888 C LEU B 5 -1.472 13.042 -1.895 1.00 0.00 C ATOM 1889 O LEU B 5 -2.559 12.841 -2.424 1.00 0.00 O ATOM 1890 CB LEU B 5 -1.587 10.750 -0.878 1.00 0.00 C ATOM 1891 CG LEU B 5 -1.202 9.551 -1.704 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.899 8.304 -1.226 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -1.558 9.814 -3.140 1.00 0.00 C ATOM 0 H LEU B 5 -0.520 12.034 0.839 1.00 0.00 H new ATOM 0 HA LEU B 5 0.081 11.589 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.503 10.517 0.183 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.627 11.016 -1.065 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.129 9.390 -1.603 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.598 7.459 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.626 8.110 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.978 8.440 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -1.283 8.951 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -2.631 9.989 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -1.019 10.693 -3.493 1.00 0.00 H new