USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=20 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 154:sc= -4.51! USER MOD Set 1.2: A 62 HIS : no HE2:sc= -6.84! C(o=-11!,f=-16!) USER MOD Set 2.1: A 33 SER OG : rot 131:sc= -4.95! USER MOD Set 2.2: A 106 CYS SG : rot 84:sc= -21.5! USER MOD Set 3.1: A 17 HIS : no HD1:sc= -1.97 X(o=-5.9,f=-5.5) USER MOD Set 3.2: A 107 GLN : amide:sc= -3.98! C(o=-5.9!,f=-6.5!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.76) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.204 USER MOD Single : A 36 ASN : amide:sc= -4.11! K(o=-4.1!,f=-0.36) USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= -6.54! (180deg=-6.88!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -8.09! C(o=-8.1!,f=-8!) USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.0728 (180deg=-0.402) USER MOD Single : A 63 TYR OH : rot 80:sc= -0.0803 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0316) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 4:sc= 1.07 USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= 3 (180deg=2.53) 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= -0.873 K(o=-0.87,f=-0.19) USER MOD Single : A 90 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.2) USER MOD Single : A 91 TYR OH : rot -109:sc= -0.221 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 150:sc= -0.759! 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 : B 4 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 209 N TRP A 15 3.551 -7.704 -1.584 1.00 0.00 N ATOM 210 CA TRP A 15 3.249 -6.289 -1.411 1.00 0.00 C ATOM 211 C TRP A 15 2.281 -6.069 -0.239 1.00 0.00 C ATOM 212 O TRP A 15 1.832 -4.959 0.009 1.00 0.00 O ATOM 213 CB TRP A 15 2.665 -5.703 -2.708 1.00 0.00 C ATOM 214 CG TRP A 15 1.580 -6.595 -3.298 1.00 0.00 C ATOM 215 CD1 TRP A 15 0.959 -7.669 -2.664 1.00 0.00 C ATOM 216 CD2 TRP A 15 0.998 -6.485 -4.600 1.00 0.00 C ATOM 217 NE1 TRP A 15 0.029 -8.220 -3.500 1.00 0.00 N ATOM 218 CE2 TRP A 15 0.019 -7.521 -4.710 1.00 0.00 C ATOM 219 CE3 TRP A 15 1.222 -5.615 -5.657 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -0.722 -7.669 -5.875 1.00 0.00 C ATOM 221 CZ3 TRP A 15 0.471 -5.756 -6.852 1.00 0.00 C ATOM 222 CH2 TRP A 15 -0.503 -6.784 -6.961 1.00 0.00 C ATOM 0 HA TRP A 15 4.180 -5.771 -1.181 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.252 -4.715 -2.506 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.463 -5.571 -3.438 1.00 0.00 H new ATOM 0 HD1 TRP A 15 1.179 -8.014 -1.664 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.566 -9.018 -3.276 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.964 -4.835 -5.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -1.460 -8.453 -5.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.640 -5.082 -7.679 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.076 -6.891 -7.870 1.00 0.00 H new ATOM 233 N PHE A 16 1.994 -7.180 0.471 1.00 0.00 N ATOM 234 CA PHE A 16 1.109 -7.046 1.607 1.00 0.00 C ATOM 235 C PHE A 16 1.667 -7.799 2.810 1.00 0.00 C ATOM 236 O PHE A 16 1.240 -8.899 3.138 1.00 0.00 O ATOM 237 CB PHE A 16 -0.264 -7.581 1.252 1.00 0.00 C ATOM 238 CG PHE A 16 -1.243 -7.255 2.342 1.00 0.00 C ATOM 239 CD1 PHE A 16 -1.897 -5.999 2.372 1.00 0.00 C ATOM 240 CD2 PHE A 16 -1.487 -8.186 3.382 1.00 0.00 C ATOM 241 CE1 PHE A 16 -2.778 -5.677 3.430 1.00 0.00 C ATOM 242 CE2 PHE A 16 -2.369 -7.865 4.438 1.00 0.00 C ATOM 243 CZ PHE A 16 -3.014 -6.610 4.462 1.00 0.00 C ATOM 0 H PHE A 16 2.346 -8.119 0.282 1.00 0.00 H new ATOM 0 HA PHE A 16 1.028 -5.990 1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.599 -7.147 0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.216 -8.660 1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.722 -5.283 1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.995 -9.148 3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.271 -4.716 3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.550 -8.580 5.227 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.688 -6.364 5.269 1.00 0.00 H new ATOM 253 N HIS A 17 2.645 -7.133 3.443 1.00 0.00 N ATOM 254 CA HIS A 17 3.229 -7.734 4.622 1.00 0.00 C ATOM 255 C HIS A 17 2.686 -7.004 5.845 1.00 0.00 C ATOM 256 O HIS A 17 2.920 -5.819 6.050 1.00 0.00 O ATOM 257 CB HIS A 17 4.746 -7.633 4.573 1.00 0.00 C ATOM 258 CG HIS A 17 5.308 -8.780 3.769 1.00 0.00 C ATOM 259 ND1 HIS A 17 6.462 -9.417 4.066 1.00 0.00 N ATOM 260 CD2 HIS A 17 4.766 -9.372 2.617 1.00 0.00 C ATOM 261 CE1 HIS A 17 6.624 -10.368 3.130 1.00 0.00 C ATOM 262 NE2 HIS A 17 5.612 -10.361 2.243 1.00 0.00 N ATOM 0 H HIS A 17 3.023 -6.227 3.168 1.00 0.00 H new ATOM 0 HA HIS A 17 2.968 -8.791 4.671 1.00 0.00 H new ATOM 0 HB2 HIS A 17 5.042 -6.684 4.126 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.154 -7.651 5.584 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.848 -9.092 2.123 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.460 -11.051 3.094 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.503 -10.982 1.442 1.00 0.00 H new ATOM 353 N GLU A 23 10.307 1.221 7.507 1.00 0.00 N ATOM 354 CA GLU A 23 11.647 1.329 7.005 1.00 0.00 C ATOM 355 C GLU A 23 12.010 0.001 6.362 1.00 0.00 C ATOM 356 O GLU A 23 12.565 -0.082 5.274 1.00 0.00 O ATOM 357 CB GLU A 23 12.555 1.621 8.194 1.00 0.00 C ATOM 358 CG GLU A 23 13.099 0.359 8.858 1.00 0.00 C ATOM 359 CD GLU A 23 14.108 0.737 9.943 1.00 0.00 C ATOM 360 OE1 GLU A 23 15.077 1.427 9.629 1.00 0.00 O ATOM 361 OE2 GLU A 23 13.915 0.335 11.090 1.00 0.00 O ATOM 0 HA GLU A 23 11.751 2.122 6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.390 2.238 7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.002 2.202 8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.281 -0.215 9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.575 -0.279 8.113 1.00 0.00 H new ATOM 368 N GLU A 24 11.641 -1.027 7.139 1.00 0.00 N ATOM 369 CA GLU A 24 11.891 -2.379 6.688 1.00 0.00 C ATOM 370 C GLU A 24 11.389 -2.544 5.249 1.00 0.00 C ATOM 371 O GLU A 24 12.017 -3.186 4.416 1.00 0.00 O ATOM 372 CB GLU A 24 11.180 -3.349 7.623 1.00 0.00 C ATOM 373 CG GLU A 24 11.636 -3.170 9.071 1.00 0.00 C ATOM 374 CD GLU A 24 10.936 -4.195 9.966 1.00 0.00 C ATOM 375 OE1 GLU A 24 10.841 -5.355 9.568 1.00 0.00 O ATOM 376 OE2 GLU A 24 10.493 -3.821 11.051 1.00 0.00 O ATOM 0 H GLU A 24 11.186 -0.943 8.048 1.00 0.00 H new ATOM 0 HA GLU A 24 12.960 -2.589 6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.103 -3.194 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.375 -4.373 7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.717 -3.292 9.139 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.407 -2.160 9.412 1.00 0.00 H new ATOM 383 N SER A 25 10.222 -1.911 5.021 1.00 0.00 N ATOM 384 CA SER A 25 9.621 -1.992 3.697 1.00 0.00 C ATOM 385 C SER A 25 10.323 -1.052 2.708 1.00 0.00 C ATOM 386 O SER A 25 10.326 -1.280 1.505 1.00 0.00 O ATOM 387 CB SER A 25 8.145 -1.621 3.803 1.00 0.00 C ATOM 388 OG SER A 25 7.578 -2.166 4.965 1.00 0.00 O ATOM 0 H SER A 25 9.704 -1.364 5.709 1.00 0.00 H new ATOM 0 HA SER A 25 9.730 -3.010 3.324 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.038 -0.536 3.814 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.610 -1.985 2.926 1.00 0.00 H new ATOM 0 HG SER A 25 6.632 -1.916 5.016 1.00 0.00 H new ATOM 394 N GLU A 26 10.912 0.013 3.286 1.00 0.00 N ATOM 395 CA GLU A 26 11.580 0.977 2.452 1.00 0.00 C ATOM 396 C GLU A 26 12.966 0.469 2.035 1.00 0.00 C ATOM 397 O GLU A 26 13.514 0.869 1.014 1.00 0.00 O ATOM 398 CB GLU A 26 11.664 2.277 3.241 1.00 0.00 C ATOM 399 CG GLU A 26 13.019 2.950 3.086 1.00 0.00 C ATOM 400 CD GLU A 26 13.067 4.230 3.922 1.00 0.00 C ATOM 401 OE1 GLU A 26 12.512 4.236 5.020 1.00 0.00 O ATOM 402 OE2 GLU A 26 13.660 5.207 3.466 1.00 0.00 O ATOM 0 H GLU A 26 10.930 0.206 4.287 1.00 0.00 H new ATOM 0 HA GLU A 26 11.026 1.142 1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.881 2.957 2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.478 2.074 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.810 2.270 3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.200 3.184 2.037 1.00 0.00 H new ATOM 409 N GLN A 27 13.492 -0.431 2.882 1.00 0.00 N ATOM 410 CA GLN A 27 14.788 -1.000 2.558 1.00 0.00 C ATOM 411 C GLN A 27 14.537 -2.137 1.577 1.00 0.00 C ATOM 412 O GLN A 27 15.332 -2.436 0.698 1.00 0.00 O ATOM 413 CB GLN A 27 15.478 -1.506 3.822 1.00 0.00 C ATOM 414 CG GLN A 27 14.589 -2.480 4.593 1.00 0.00 C ATOM 415 CD GLN A 27 15.361 -3.063 5.778 1.00 0.00 C ATOM 416 OE1 GLN A 27 15.939 -4.141 5.707 1.00 0.00 O ATOM 417 NE2 GLN A 27 15.327 -2.275 6.868 1.00 0.00 N ATOM 0 H GLN A 27 13.061 -0.759 3.746 1.00 0.00 H new ATOM 0 HA GLN A 27 15.447 -0.253 2.115 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.413 -1.998 3.555 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.734 -0.661 4.461 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.695 -1.967 4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.257 -3.282 3.934 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.821 -1.390 6.842 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.807 -2.563 7.721 1.00 0.00 H new ATOM 426 N ILE A 28 13.361 -2.744 1.794 1.00 0.00 N ATOM 427 CA ILE A 28 12.955 -3.793 0.932 1.00 0.00 C ATOM 428 C ILE A 28 12.648 -3.208 -0.434 1.00 0.00 C ATOM 429 O ILE A 28 12.955 -3.767 -1.479 1.00 0.00 O ATOM 430 CB ILE A 28 11.713 -4.380 1.554 1.00 0.00 C ATOM 431 CG1 ILE A 28 12.064 -5.354 2.662 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.855 -5.056 0.507 1.00 0.00 C ATOM 433 CD1 ILE A 28 10.852 -5.601 3.553 1.00 0.00 C ATOM 0 H ILE A 28 12.710 -2.514 2.545 1.00 0.00 H new ATOM 0 HA ILE A 28 13.722 -4.557 0.807 1.00 0.00 H new ATOM 0 HB ILE A 28 11.142 -3.561 1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.406 -6.296 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.887 -4.957 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.965 -5.472 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.559 -4.327 -0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.422 -5.857 0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.119 -6.302 4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.529 -4.659 3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.041 -6.018 2.956 1.00 0.00 H new ATOM 445 N VAL A 29 11.995 -2.052 -0.340 1.00 0.00 N ATOM 446 CA VAL A 29 11.671 -1.348 -1.547 1.00 0.00 C ATOM 447 C VAL A 29 12.966 -0.971 -2.259 1.00 0.00 C ATOM 448 O VAL A 29 13.037 -0.875 -3.477 1.00 0.00 O ATOM 449 CB VAL A 29 10.863 -0.108 -1.133 1.00 0.00 C ATOM 450 CG1 VAL A 29 10.964 1.018 -2.155 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.394 -0.467 -0.879 1.00 0.00 C ATOM 0 H VAL A 29 11.696 -1.608 0.528 1.00 0.00 H new ATOM 0 HA VAL A 29 11.082 -1.952 -2.237 1.00 0.00 H new ATOM 0 HB VAL A 29 11.302 0.255 -0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.376 1.871 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.006 1.317 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.582 0.673 -3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.846 0.429 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.958 -0.880 -1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.333 -1.206 -0.080 1.00 0.00 H new ATOM 461 N LEU A 30 13.982 -0.781 -1.419 1.00 0.00 N ATOM 462 CA LEU A 30 15.257 -0.444 -1.948 1.00 0.00 C ATOM 463 C LEU A 30 15.696 -1.566 -2.890 1.00 0.00 C ATOM 464 O LEU A 30 16.324 -1.353 -3.921 1.00 0.00 O ATOM 465 CB LEU A 30 16.178 -0.317 -0.739 1.00 0.00 C ATOM 466 CG LEU A 30 17.197 -1.444 -0.649 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.366 -1.193 -1.586 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.689 -1.607 0.774 1.00 0.00 C ATOM 0 H LEU A 30 13.930 -0.857 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 30 15.264 0.483 -2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.703 0.637 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.576 -0.305 0.170 1.00 0.00 H new ATOM 0 HG LEU A 30 16.705 -2.368 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 30 19.081 -2.012 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.003 -1.130 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 30 18.854 -0.257 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.416 -2.418 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.158 -0.681 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.847 -1.840 1.426 1.00 0.00 H new ATOM 480 N ILE A 31 15.306 -2.777 -2.442 1.00 0.00 N ATOM 481 CA ILE A 31 15.648 -3.948 -3.195 1.00 0.00 C ATOM 482 C ILE A 31 14.989 -3.899 -4.545 1.00 0.00 C ATOM 483 O ILE A 31 15.610 -3.780 -5.594 1.00 0.00 O ATOM 484 CB ILE A 31 15.128 -5.203 -2.499 1.00 0.00 C ATOM 485 CG1 ILE A 31 15.024 -5.065 -0.996 1.00 0.00 C ATOM 486 CG2 ILE A 31 15.984 -6.370 -2.867 1.00 0.00 C ATOM 487 CD1 ILE A 31 16.221 -5.683 -0.272 1.00 0.00 C ATOM 0 H ILE A 31 14.772 -2.944 -1.589 1.00 0.00 H new ATOM 0 HA ILE A 31 16.734 -3.977 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 31 14.108 -5.362 -2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.950 -4.009 -0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.107 -5.544 -0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 31 15.612 -7.266 -2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.955 -6.516 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.011 -6.181 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 31 16.099 -5.558 0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.281 -6.745 -0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 31 17.137 -5.187 -0.594 1.00 0.00 H new ATOM 499 N GLY A 32 13.669 -4.009 -4.412 1.00 0.00 N ATOM 500 CA GLY A 32 12.858 -4.069 -5.601 1.00 0.00 C ATOM 501 C GLY A 32 12.647 -2.696 -6.238 1.00 0.00 C ATOM 502 O GLY A 32 13.244 -2.361 -7.254 1.00 0.00 O ATOM 0 H GLY A 32 13.165 -4.056 -3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.330 -4.733 -6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.889 -4.504 -5.354 1.00 0.00 H new ATOM 506 N SER A 33 11.748 -1.946 -5.578 1.00 0.00 N ATOM 507 CA SER A 33 11.429 -0.606 -6.059 1.00 0.00 C ATOM 508 C SER A 33 12.627 0.022 -6.757 1.00 0.00 C ATOM 509 O SER A 33 13.727 0.104 -6.223 1.00 0.00 O ATOM 510 CB SER A 33 11.001 0.232 -4.866 1.00 0.00 C ATOM 511 OG SER A 33 9.679 0.681 -4.994 1.00 0.00 O ATOM 0 H SER A 33 11.248 -2.238 -4.738 1.00 0.00 H new ATOM 0 HA SER A 33 10.622 -0.657 -6.790 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.098 -0.357 -3.954 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.668 1.088 -4.765 1.00 0.00 H new ATOM 0 HG SER A 33 9.188 0.493 -4.167 1.00 0.00 H new ATOM 517 N LYS A 34 12.313 0.476 -7.984 1.00 0.00 N ATOM 518 CA LYS A 34 13.350 1.069 -8.806 1.00 0.00 C ATOM 519 C LYS A 34 12.798 1.350 -10.187 1.00 0.00 C ATOM 520 O LYS A 34 12.881 2.439 -10.742 1.00 0.00 O ATOM 521 CB LYS A 34 14.467 0.050 -8.964 1.00 0.00 C ATOM 522 CG LYS A 34 15.775 0.720 -9.351 1.00 0.00 C ATOM 523 CD LYS A 34 16.979 -0.177 -9.064 1.00 0.00 C ATOM 524 CE LYS A 34 16.967 -1.431 -9.939 1.00 0.00 C ATOM 525 NZ LYS A 34 18.100 -2.307 -9.668 1.00 0.00 N ATOM 0 H LYS A 34 11.384 0.441 -8.404 1.00 0.00 H new ATOM 0 HA LYS A 34 13.705 1.990 -8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.598 -0.497 -8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.191 -0.680 -9.725 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.754 0.972 -10.411 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.880 1.656 -8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.899 0.381 -9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.976 -0.466 -8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.039 -1.979 -9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.980 -1.139 -10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.048 -3.143 -10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.986 -1.795 -9.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.075 -2.609 -8.673 1.00 0.00 H new ATOM 539 N THR A 35 12.233 0.248 -10.674 1.00 0.00 N ATOM 540 CA THR A 35 11.667 0.221 -12.010 1.00 0.00 C ATOM 541 C THR A 35 10.552 1.249 -12.230 1.00 0.00 C ATOM 542 O THR A 35 9.906 1.278 -13.270 1.00 0.00 O ATOM 543 CB THR A 35 11.124 -1.178 -12.236 1.00 0.00 C ATOM 544 OG1 THR A 35 11.600 -2.049 -11.236 1.00 0.00 O ATOM 545 CG2 THR A 35 11.519 -1.714 -13.597 1.00 0.00 C ATOM 0 H THR A 35 12.157 -0.631 -10.163 1.00 0.00 H new ATOM 0 HA THR A 35 12.452 0.483 -12.719 1.00 0.00 H new ATOM 0 HB THR A 35 10.036 -1.121 -12.191 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.243 -2.949 -11.389 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.113 -2.718 -13.725 1.00 0.00 H new ATOM 0 HG22 THR A 35 11.123 -1.061 -14.374 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.606 -1.750 -13.673 1.00 0.00 H new ATOM 553 N ASN A 36 10.371 2.068 -11.204 1.00 0.00 N ATOM 554 CA ASN A 36 9.344 3.090 -11.299 1.00 0.00 C ATOM 555 C ASN A 36 7.986 2.417 -11.466 1.00 0.00 C ATOM 556 O ASN A 36 7.624 1.935 -12.532 1.00 0.00 O ATOM 557 CB ASN A 36 9.640 4.006 -12.484 1.00 0.00 C ATOM 558 CG ASN A 36 8.447 4.930 -12.735 1.00 0.00 C ATOM 559 OD1 ASN A 36 7.669 4.745 -13.664 1.00 0.00 O ATOM 560 ND2 ASN A 36 8.362 5.933 -11.844 1.00 0.00 N ATOM 0 H ASN A 36 10.898 2.048 -10.331 1.00 0.00 H new ATOM 0 HA ASN A 36 9.332 3.693 -10.391 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.534 4.597 -12.284 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.844 3.410 -13.374 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.605 6.614 -11.913 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.054 6.013 -11.099 1.00 0.00 H new ATOM 567 N GLY A 37 7.267 2.423 -10.335 1.00 0.00 N ATOM 568 CA GLY A 37 5.951 1.808 -10.335 1.00 0.00 C ATOM 569 C GLY A 37 5.882 0.616 -9.372 1.00 0.00 C ATOM 570 O GLY A 37 4.944 -0.169 -9.396 1.00 0.00 O ATOM 0 H GLY A 37 7.565 2.830 -9.449 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.203 2.549 -10.052 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.704 1.476 -11.343 1.00 0.00 H new ATOM 574 N LYS A 38 6.927 0.526 -8.527 1.00 0.00 N ATOM 575 CA LYS A 38 6.937 -0.560 -7.584 1.00 0.00 C ATOM 576 C LYS A 38 6.213 -0.086 -6.343 1.00 0.00 C ATOM 577 O LYS A 38 6.246 1.085 -5.992 1.00 0.00 O ATOM 578 CB LYS A 38 8.367 -0.927 -7.254 1.00 0.00 C ATOM 579 CG LYS A 38 8.472 -2.267 -6.537 1.00 0.00 C ATOM 580 CD LYS A 38 8.932 -3.373 -7.486 1.00 0.00 C ATOM 581 CE LYS A 38 9.769 -4.429 -6.763 1.00 0.00 C ATOM 582 NZ LYS A 38 10.997 -4.748 -7.481 1.00 0.00 N ATOM 0 H LYS A 38 7.723 1.162 -8.490 1.00 0.00 H new ATOM 0 HA LYS A 38 6.446 -1.443 -7.993 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.951 -0.963 -8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.804 -0.148 -6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.173 -2.183 -5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.504 -2.530 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.062 -3.847 -7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.517 -2.937 -8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.017 -4.071 -5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.177 -5.336 -6.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.579 -5.390 -6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.762 -5.208 -8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.528 -3.873 -7.667 1.00 0.00 H new ATOM 596 N PHE A 39 5.561 -1.056 -5.705 1.00 0.00 N ATOM 597 CA PHE A 39 4.805 -0.662 -4.523 1.00 0.00 C ATOM 598 C PHE A 39 4.429 -1.847 -3.624 1.00 0.00 C ATOM 599 O PHE A 39 4.144 -2.943 -4.073 1.00 0.00 O ATOM 600 CB PHE A 39 3.543 0.070 -4.988 1.00 0.00 C ATOM 601 CG PHE A 39 2.453 -0.894 -5.369 1.00 0.00 C ATOM 602 CD1 PHE A 39 2.436 -1.501 -6.649 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.434 -1.205 -4.442 1.00 0.00 C ATOM 604 CE1 PHE A 39 1.408 -2.410 -6.994 1.00 0.00 C ATOM 605 CE2 PHE A 39 0.407 -2.111 -4.786 1.00 0.00 C ATOM 606 CZ PHE A 39 0.394 -2.714 -6.061 1.00 0.00 C ATOM 0 H PHE A 39 5.538 -2.043 -5.960 1.00 0.00 H new ATOM 0 HA PHE A 39 5.437 -0.014 -3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.188 0.726 -4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.783 0.705 -5.841 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.211 -1.269 -7.364 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.440 -0.747 -3.464 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.399 -2.871 -7.971 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.369 -2.343 -4.072 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.391 -3.408 -6.323 1.00 0.00 H new ATOM 616 N LEU A 40 4.415 -1.510 -2.324 1.00 0.00 N ATOM 617 CA LEU A 40 4.013 -2.504 -1.335 1.00 0.00 C ATOM 618 C LEU A 40 3.169 -1.809 -0.267 1.00 0.00 C ATOM 619 O LEU A 40 3.572 -0.822 0.334 1.00 0.00 O ATOM 620 CB LEU A 40 5.231 -3.184 -0.706 1.00 0.00 C ATOM 621 CG LEU A 40 5.946 -2.271 0.293 1.00 0.00 C ATOM 622 CD1 LEU A 40 5.199 -2.241 1.628 1.00 0.00 C ATOM 623 CD2 LEU A 40 7.383 -2.746 0.517 1.00 0.00 C ATOM 0 H LEU A 40 4.667 -0.595 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 40 3.427 -3.284 -1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.916 -4.097 -0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.928 -3.478 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 40 5.964 -1.264 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.724 -1.586 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.187 -1.867 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.153 -3.248 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.877 -2.086 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.373 -3.763 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.924 -2.728 -0.429 1.00 0.00 H new ATOM 635 N ILE A 41 1.968 -2.385 -0.087 1.00 0.00 N ATOM 636 CA ILE A 41 1.063 -1.822 0.902 1.00 0.00 C ATOM 637 C ILE A 41 1.402 -2.381 2.284 1.00 0.00 C ATOM 638 O ILE A 41 1.978 -3.453 2.427 1.00 0.00 O ATOM 639 CB ILE A 41 -0.372 -2.173 0.519 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.348 -1.731 1.612 1.00 0.00 C ATOM 641 CG2 ILE A 41 -0.498 -3.673 0.272 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.280 -0.222 1.852 1.00 0.00 C ATOM 0 H ILE A 41 1.622 -3.201 -0.592 1.00 0.00 H new ATOM 0 HA ILE A 41 1.169 -0.738 0.932 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.623 -1.642 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.363 -2.009 1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.120 -2.258 2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.526 -3.912 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.170 -3.966 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.228 -4.215 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.987 0.054 2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.271 0.052 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.533 0.305 0.932 1.00 0.00 H new ATOM 654 N ARG A 42 1.004 -1.576 3.285 1.00 0.00 N ATOM 655 CA ARG A 42 1.263 -1.980 4.658 1.00 0.00 C ATOM 656 C ARG A 42 0.032 -1.676 5.511 1.00 0.00 C ATOM 657 O ARG A 42 -0.324 -0.528 5.745 1.00 0.00 O ATOM 658 CB ARG A 42 2.486 -1.228 5.182 1.00 0.00 C ATOM 659 CG ARG A 42 2.425 -1.010 6.696 1.00 0.00 C ATOM 660 CD ARG A 42 2.503 -2.328 7.467 1.00 0.00 C ATOM 661 NE ARG A 42 2.868 -2.075 8.850 1.00 0.00 N ATOM 662 CZ ARG A 42 2.572 -3.002 9.780 1.00 0.00 C ATOM 663 NH1 ARG A 42 1.951 -4.125 9.430 1.00 0.00 N ATOM 664 NH2 ARG A 42 2.902 -2.794 11.052 1.00 0.00 N ATOM 0 H ARG A 42 0.524 -0.683 3.169 1.00 0.00 H new ATOM 0 HA ARG A 42 1.466 -3.050 4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.388 -1.787 4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.560 -0.263 4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.246 -0.361 7.002 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.499 -0.495 6.951 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.542 -2.841 7.424 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.237 -2.987 7.003 1.00 0.00 H new ATOM 0 HE ARG A 42 3.340 -1.210 9.112 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.698 -4.285 8.455 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.728 -4.826 10.137 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.378 -1.933 11.321 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.678 -3.495 11.758 1.00 0.00 H new ATOM 678 N ALA A 43 -0.589 -2.783 5.957 1.00 0.00 N ATOM 679 CA ALA A 43 -1.778 -2.629 6.775 1.00 0.00 C ATOM 680 C ALA A 43 -1.831 -3.741 7.820 1.00 0.00 C ATOM 681 O ALA A 43 -1.423 -4.872 7.583 1.00 0.00 O ATOM 682 CB ALA A 43 -3.015 -2.678 5.882 1.00 0.00 C ATOM 0 H ALA A 43 -0.297 -3.743 5.771 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.749 -1.669 7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.910 -2.563 6.493 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.968 -1.871 5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.051 -3.636 5.363 1.00 0.00 H new ATOM 770 N TYR A 50 -3.059 2.171 8.201 1.00 0.00 N ATOM 771 CA TYR A 50 -2.300 1.547 7.127 1.00 0.00 C ATOM 772 C TYR A 50 -1.651 2.650 6.295 1.00 0.00 C ATOM 773 O TYR A 50 -1.940 3.828 6.462 1.00 0.00 O ATOM 774 CB TYR A 50 -3.223 0.695 6.244 1.00 0.00 C ATOM 775 CG TYR A 50 -4.130 -0.193 7.053 1.00 0.00 C ATOM 776 CD1 TYR A 50 -3.744 -0.634 8.343 1.00 0.00 C ATOM 777 CD2 TYR A 50 -5.387 -0.588 6.534 1.00 0.00 C ATOM 778 CE1 TYR A 50 -4.605 -1.458 9.103 1.00 0.00 C ATOM 779 CE2 TYR A 50 -6.247 -1.412 7.294 1.00 0.00 C ATOM 780 CZ TYR A 50 -5.856 -1.847 8.578 1.00 0.00 C ATOM 781 OH TYR A 50 -6.697 -2.653 9.319 1.00 0.00 O ATOM 0 HA TYR A 50 -1.535 0.893 7.546 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.826 1.350 5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.618 0.081 5.577 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.787 -0.339 8.748 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.690 -0.257 5.551 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.305 -1.790 10.086 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.204 -1.709 6.892 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.517 -2.825 8.811 1.00 0.00 H new ATOM 791 N ALA A 51 -0.758 2.201 5.396 1.00 0.00 N ATOM 792 CA ALA A 51 -0.100 3.184 4.553 1.00 0.00 C ATOM 793 C ALA A 51 0.586 2.504 3.369 1.00 0.00 C ATOM 794 O ALA A 51 1.309 1.524 3.506 1.00 0.00 O ATOM 795 CB ALA A 51 0.909 3.979 5.378 1.00 0.00 C ATOM 0 H ALA A 51 -0.494 1.227 5.246 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.850 3.870 4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.400 4.715 4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.393 4.489 6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.656 3.301 5.791 1.00 0.00 H new ATOM 801 N LEU A 52 0.298 3.105 2.200 1.00 0.00 N ATOM 802 CA LEU A 52 0.881 2.589 0.972 1.00 0.00 C ATOM 803 C LEU A 52 2.324 3.080 0.844 1.00 0.00 C ATOM 804 O LEU A 52 2.617 4.259 0.969 1.00 0.00 O ATOM 805 CB LEU A 52 0.040 3.070 -0.214 1.00 0.00 C ATOM 806 CG LEU A 52 0.889 3.328 -1.463 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.598 2.047 -1.905 1.00 0.00 C ATOM 808 CD2 LEU A 52 0.008 3.855 -2.597 1.00 0.00 C ATOM 0 H LEU A 52 -0.311 3.916 2.091 1.00 0.00 H new ATOM 0 HA LEU A 52 0.888 1.499 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.721 2.324 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.483 3.985 0.062 1.00 0.00 H new ATOM 0 HG LEU A 52 1.643 4.076 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.196 2.250 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.247 1.695 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.857 1.281 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.621 4.035 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.761 3.119 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.465 4.787 -2.287 1.00 0.00 H new ATOM 820 N CYS A 53 3.197 2.094 0.573 1.00 0.00 N ATOM 821 CA CYS A 53 4.603 2.430 0.424 1.00 0.00 C ATOM 822 C CYS A 53 5.074 1.974 -0.930 1.00 0.00 C ATOM 823 O CYS A 53 4.880 0.842 -1.337 1.00 0.00 O ATOM 824 CB CYS A 53 5.434 1.764 1.520 1.00 0.00 C ATOM 825 SG CYS A 53 7.186 2.209 1.436 1.00 0.00 S ATOM 0 H CYS A 53 2.961 1.108 0.459 1.00 0.00 H new ATOM 0 HA CYS A 53 4.726 3.509 0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.037 2.049 2.495 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.334 0.682 1.439 1.00 0.00 H new ATOM 0 HG CYS A 53 7.718 2.102 2.617 1.00 0.00 H new ATOM 831 N LEU A 54 5.707 2.938 -1.597 1.00 0.00 N ATOM 832 CA LEU A 54 6.175 2.641 -2.906 1.00 0.00 C ATOM 833 C LEU A 54 7.392 3.513 -3.230 1.00 0.00 C ATOM 834 O LEU A 54 7.761 4.374 -2.451 1.00 0.00 O ATOM 835 CB LEU A 54 4.964 2.834 -3.812 1.00 0.00 C ATOM 836 CG LEU A 54 4.725 4.256 -4.382 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.256 4.633 -4.187 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.588 5.340 -3.732 1.00 0.00 C ATOM 0 H LEU A 54 5.891 3.881 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 54 6.545 1.624 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.057 2.145 -4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.075 2.540 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 54 5.003 4.213 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.081 5.632 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.624 3.917 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.015 4.619 -3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.362 6.305 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.376 5.382 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.642 5.106 -3.884 1.00 0.00 H new ATOM 850 N LEU A 55 8.003 3.258 -4.405 1.00 0.00 N ATOM 851 CA LEU A 55 9.174 4.070 -4.717 1.00 0.00 C ATOM 852 C LEU A 55 8.950 4.877 -5.990 1.00 0.00 C ATOM 853 O LEU A 55 8.345 4.422 -6.953 1.00 0.00 O ATOM 854 CB LEU A 55 10.393 3.173 -4.858 1.00 0.00 C ATOM 855 CG LEU A 55 11.682 3.989 -4.941 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.376 4.091 -3.591 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.630 3.354 -5.940 1.00 0.00 C ATOM 0 H LEU A 55 7.730 2.558 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 55 9.343 4.774 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.446 2.493 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.292 2.558 -5.752 1.00 0.00 H new ATOM 0 HG LEU A 55 11.412 4.995 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.288 4.679 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.711 4.575 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.627 3.092 -3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.547 3.940 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.867 2.339 -5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.158 3.326 -6.922 1.00 0.00 H new ATOM 869 N HIS A 56 9.485 6.112 -5.919 1.00 0.00 N ATOM 870 CA HIS A 56 9.351 6.991 -7.062 1.00 0.00 C ATOM 871 C HIS A 56 10.702 7.144 -7.780 1.00 0.00 C ATOM 872 O HIS A 56 11.419 8.121 -7.602 1.00 0.00 O ATOM 873 CB HIS A 56 8.838 8.352 -6.596 1.00 0.00 C ATOM 874 CG HIS A 56 8.746 9.285 -7.783 1.00 0.00 C ATOM 875 ND1 HIS A 56 8.350 8.899 -9.016 1.00 0.00 N ATOM 876 CD2 HIS A 56 9.058 10.656 -7.832 1.00 0.00 C ATOM 877 CE1 HIS A 56 8.417 9.991 -9.795 1.00 0.00 C ATOM 878 NE2 HIS A 56 8.841 11.065 -9.104 1.00 0.00 N ATOM 0 H HIS A 56 9.987 6.496 -5.118 1.00 0.00 H new ATOM 0 HA HIS A 56 8.638 6.561 -7.766 1.00 0.00 H new ATOM 0 HB2 HIS A 56 7.860 8.244 -6.127 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.508 8.768 -5.843 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.405 11.266 -7.011 1.00 0.00 H new ATOM 0 HE1 HIS A 56 8.162 10.005 -10.844 1.00 0.00 H new ATOM 0 HE2 HIS A 56 8.974 12.008 -9.469 1.00 0.00 H new ATOM 886 N GLU A 57 10.991 6.116 -8.600 1.00 0.00 N ATOM 887 CA GLU A 57 12.224 6.154 -9.380 1.00 0.00 C ATOM 888 C GLU A 57 13.496 6.158 -8.511 1.00 0.00 C ATOM 889 O GLU A 57 14.605 6.240 -9.024 1.00 0.00 O ATOM 890 CB GLU A 57 12.187 7.408 -10.231 1.00 0.00 C ATOM 891 CG GLU A 57 10.904 7.481 -11.056 1.00 0.00 C ATOM 892 CD GLU A 57 11.109 8.410 -12.254 1.00 0.00 C ATOM 893 OE1 GLU A 57 12.028 8.166 -13.034 1.00 0.00 O ATOM 894 OE2 GLU A 57 10.348 9.366 -12.392 1.00 0.00 O ATOM 0 H GLU A 57 10.411 5.287 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 57 12.273 5.249 -9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.261 8.287 -9.591 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.051 7.425 -10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.625 6.485 -11.400 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.084 7.846 -10.438 1.00 0.00 H new ATOM 901 N GLY A 58 13.284 6.068 -7.188 1.00 0.00 N ATOM 902 CA GLY A 58 14.449 6.066 -6.312 1.00 0.00 C ATOM 903 C GLY A 58 14.244 6.928 -5.058 1.00 0.00 C ATOM 904 O GLY A 58 15.187 7.421 -4.451 1.00 0.00 O ATOM 0 H GLY A 58 12.375 6.000 -6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 58 14.672 5.042 -6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.315 6.433 -6.863 1.00 0.00 H new ATOM 908 N LYS A 59 12.955 7.063 -4.721 1.00 0.00 N ATOM 909 CA LYS A 59 12.595 7.826 -3.558 1.00 0.00 C ATOM 910 C LYS A 59 11.411 7.116 -2.943 1.00 0.00 C ATOM 911 O LYS A 59 10.271 7.256 -3.370 1.00 0.00 O ATOM 912 CB LYS A 59 12.221 9.251 -3.938 1.00 0.00 C ATOM 913 CG LYS A 59 13.372 9.983 -4.628 1.00 0.00 C ATOM 914 CD LYS A 59 12.935 10.582 -5.964 1.00 0.00 C ATOM 915 CE LYS A 59 13.903 11.667 -6.437 1.00 0.00 C ATOM 916 NZ LYS A 59 13.891 12.839 -5.568 1.00 0.00 N ATOM 0 H LYS A 59 12.173 6.658 -5.235 1.00 0.00 H new ATOM 0 HA LYS A 59 13.429 7.895 -2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.355 9.234 -4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.928 9.799 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.743 10.775 -3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.198 9.291 -4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.876 9.794 -6.715 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.935 11.004 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.912 11.258 -6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.641 11.967 -7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.278 13.656 -6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.914 13.045 -5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.472 12.653 -4.726 1.00 0.00 H new ATOM 930 N VAL A 60 11.757 6.348 -1.916 1.00 0.00 N ATOM 931 CA VAL A 60 10.718 5.586 -1.268 1.00 0.00 C ATOM 932 C VAL A 60 9.748 6.544 -0.602 1.00 0.00 C ATOM 933 O VAL A 60 10.117 7.549 -0.006 1.00 0.00 O ATOM 934 CB VAL A 60 11.309 4.651 -0.226 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.538 5.410 1.072 1.00 0.00 C ATOM 936 CG2 VAL A 60 10.365 3.478 0.028 1.00 0.00 C ATOM 0 H VAL A 60 12.698 6.243 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 60 10.199 4.985 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 60 12.259 4.267 -0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.962 4.737 1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.228 6.235 0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.589 5.803 1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.800 2.816 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.407 3.853 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.212 2.926 -0.900 1.00 0.00 H new ATOM 946 N LEU A 61 8.495 6.129 -0.727 1.00 0.00 N ATOM 947 CA LEU A 61 7.433 6.934 -0.173 1.00 0.00 C ATOM 948 C LEU A 61 6.501 6.119 0.681 1.00 0.00 C ATOM 949 O LEU A 61 6.600 4.906 0.826 1.00 0.00 O ATOM 950 CB LEU A 61 6.632 7.566 -1.304 1.00 0.00 C ATOM 951 CG LEU A 61 7.557 8.174 -2.337 1.00 0.00 C ATOM 952 CD1 LEU A 61 6.766 8.923 -3.404 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.530 9.103 -1.633 1.00 0.00 C ATOM 0 H LEU A 61 8.202 5.269 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 61 7.891 7.700 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.999 6.813 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.970 8.334 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 61 8.109 7.381 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.454 9.350 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.087 8.233 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.191 9.722 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.203 9.548 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.976 9.891 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.110 8.537 -0.904 1.00 0.00 H new ATOM 965 N HIS A 62 5.577 6.914 1.217 1.00 0.00 N ATOM 966 CA HIS A 62 4.554 6.344 2.069 1.00 0.00 C ATOM 967 C HIS A 62 3.317 7.240 2.020 1.00 0.00 C ATOM 968 O HIS A 62 3.407 8.455 2.023 1.00 0.00 O ATOM 969 CB HIS A 62 5.067 6.252 3.506 1.00 0.00 C ATOM 970 CG HIS A 62 6.126 5.181 3.615 1.00 0.00 C ATOM 971 ND1 HIS A 62 7.437 5.387 3.363 1.00 0.00 N ATOM 972 CD2 HIS A 62 5.963 3.843 4.018 1.00 0.00 C ATOM 973 CE1 HIS A 62 8.058 4.221 3.606 1.00 0.00 C ATOM 974 NE2 HIS A 62 7.190 3.274 4.002 1.00 0.00 N ATOM 0 H HIS A 62 5.520 7.923 1.079 1.00 0.00 H new ATOM 0 HA HIS A 62 4.301 5.343 1.721 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.478 7.213 3.815 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.241 6.027 4.181 1.00 0.00 H new ATOM 0 HD1 HIS A 62 7.870 6.256 3.050 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.035 3.362 4.289 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.121 4.064 3.497 1.00 0.00 H new ATOM 982 N TYR A 63 2.162 6.564 1.954 1.00 0.00 N ATOM 983 CA TYR A 63 0.927 7.306 1.934 1.00 0.00 C ATOM 984 C TYR A 63 0.030 6.748 3.029 1.00 0.00 C ATOM 985 O TYR A 63 -0.070 5.545 3.212 1.00 0.00 O ATOM 986 CB TYR A 63 0.252 7.148 0.575 1.00 0.00 C ATOM 987 CG TYR A 63 1.002 7.867 -0.507 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.131 9.279 -0.488 1.00 0.00 C ATOM 989 CD2 TYR A 63 1.600 7.136 -1.562 1.00 0.00 C ATOM 990 CE1 TYR A 63 1.849 9.938 -1.506 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.316 7.800 -2.576 1.00 0.00 C ATOM 992 CZ TYR A 63 2.441 9.201 -2.551 1.00 0.00 C ATOM 993 OH TYR A 63 3.143 9.852 -3.545 1.00 0.00 O ATOM 0 H TYR A 63 2.071 5.549 1.916 1.00 0.00 H new ATOM 0 HA TYR A 63 1.115 8.366 2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.180 6.089 0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.767 7.532 0.628 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.678 9.851 0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.506 6.060 -1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.946 11.013 -1.485 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.770 7.233 -3.375 1.00 0.00 H new ATOM 0 HH TYR A 63 4.042 10.070 -3.222 1.00 0.00 H new ATOM 1003 N ARG A 64 -0.595 7.687 3.755 1.00 0.00 N ATOM 1004 CA ARG A 64 -1.484 7.233 4.811 1.00 0.00 C ATOM 1005 C ARG A 64 -2.741 6.669 4.159 1.00 0.00 C ATOM 1006 O ARG A 64 -3.366 7.297 3.314 1.00 0.00 O ATOM 1007 CB ARG A 64 -1.841 8.373 5.767 1.00 0.00 C ATOM 1008 CG ARG A 64 -1.226 9.713 5.348 1.00 0.00 C ATOM 1009 CD ARG A 64 -1.646 10.844 6.288 1.00 0.00 C ATOM 1010 NE ARG A 64 -1.286 12.130 5.721 1.00 0.00 N ATOM 1011 CZ ARG A 64 -1.425 13.233 6.480 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -1.876 13.133 7.727 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -1.110 14.425 5.983 1.00 0.00 N ATOM 0 H ARG A 64 -0.507 8.696 3.638 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.986 6.465 5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.925 8.475 5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.500 8.120 6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.139 9.629 5.342 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.533 9.952 4.330 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.722 10.803 6.460 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.164 10.718 7.257 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.934 12.197 4.766 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.117 12.219 8.110 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.980 13.970 8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.763 14.503 5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.215 15.261 6.558 1.00 0.00 H new ATOM 1027 N ILE A 65 -3.067 5.447 4.607 1.00 0.00 N ATOM 1028 CA ILE A 65 -4.237 4.798 4.040 1.00 0.00 C ATOM 1029 C ILE A 65 -5.127 4.231 5.141 1.00 0.00 C ATOM 1030 O ILE A 65 -4.787 3.266 5.814 1.00 0.00 O ATOM 1031 CB ILE A 65 -3.795 3.671 3.113 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -2.721 4.159 2.146 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -4.997 3.121 2.345 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -3.289 5.140 1.130 1.00 0.00 C ATOM 0 H ILE A 65 -2.563 4.920 5.320 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.807 5.538 3.478 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.369 2.870 3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.917 4.637 2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.284 3.307 1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.671 2.317 1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.734 2.736 3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.445 3.918 1.751 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.496 5.467 0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.076 4.653 0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.703 6.004 1.650 1.00 0.00 H new ATOM 1046 N ASP A 66 -6.286 4.896 5.276 1.00 0.00 N ATOM 1047 CA ASP A 66 -7.232 4.431 6.264 1.00 0.00 C ATOM 1048 C ASP A 66 -8.641 4.773 5.815 1.00 0.00 C ATOM 1049 O ASP A 66 -8.867 5.411 4.796 1.00 0.00 O ATOM 1050 CB ASP A 66 -6.945 5.073 7.609 1.00 0.00 C ATOM 1051 CG ASP A 66 -7.704 4.336 8.714 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -7.316 3.218 9.048 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -8.675 4.890 9.228 1.00 0.00 O ATOM 0 H ASP A 66 -6.568 5.715 4.737 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.138 3.350 6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.874 5.047 7.812 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.241 6.122 7.591 1.00 0.00 H new ATOM 1058 N LYS A 67 -9.560 4.326 6.673 1.00 0.00 N ATOM 1059 CA LYS A 67 -10.958 4.559 6.386 1.00 0.00 C ATOM 1060 C LYS A 67 -11.407 5.850 7.068 1.00 0.00 C ATOM 1061 O LYS A 67 -10.624 6.758 7.320 1.00 0.00 O ATOM 1062 CB LYS A 67 -11.771 3.374 6.902 1.00 0.00 C ATOM 1063 CG LYS A 67 -11.496 3.116 8.380 1.00 0.00 C ATOM 1064 CD LYS A 67 -10.427 2.041 8.575 1.00 0.00 C ATOM 1065 CE LYS A 67 -10.983 0.830 9.326 1.00 0.00 C ATOM 1066 NZ LYS A 67 -9.975 -0.203 9.538 1.00 0.00 N ATOM 0 H LYS A 67 -9.364 3.821 7.537 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.111 4.660 5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.834 3.568 6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.527 2.483 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.173 4.041 8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.418 2.807 8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.045 1.725 7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.585 2.459 9.128 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.377 1.153 10.290 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.818 0.410 8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.399 -1.002 10.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.616 -0.532 8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.189 0.188 10.096 1.00 0.00 H new ATOM 1080 N ASP A 68 -12.722 5.860 7.350 1.00 0.00 N ATOM 1081 CA ASP A 68 -13.288 7.020 8.010 1.00 0.00 C ATOM 1082 C ASP A 68 -14.251 6.540 9.092 1.00 0.00 C ATOM 1083 O ASP A 68 -15.391 6.977 9.188 1.00 0.00 O ATOM 1084 CB ASP A 68 -14.019 7.875 6.982 1.00 0.00 C ATOM 1085 CG ASP A 68 -13.165 9.090 6.612 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -13.080 10.015 7.419 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -12.596 9.098 5.522 1.00 0.00 O ATOM 0 H ASP A 68 -13.377 5.108 7.138 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.504 7.623 8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.232 7.285 6.091 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.978 8.202 7.384 1.00 0.00 H new ATOM 1092 N LYS A 69 -13.707 5.607 9.894 1.00 0.00 N ATOM 1093 CA LYS A 69 -14.525 5.030 10.953 1.00 0.00 C ATOM 1094 C LYS A 69 -15.891 4.621 10.390 1.00 0.00 C ATOM 1095 O LYS A 69 -16.909 4.618 11.072 1.00 0.00 O ATOM 1096 CB LYS A 69 -14.673 6.031 12.094 1.00 0.00 C ATOM 1097 CG LYS A 69 -13.309 6.412 12.668 1.00 0.00 C ATOM 1098 CD LYS A 69 -12.369 5.207 12.700 1.00 0.00 C ATOM 1099 CE LYS A 69 -11.050 5.537 13.398 1.00 0.00 C ATOM 1100 NZ LYS A 69 -10.279 6.546 12.682 1.00 0.00 N ATOM 0 H LYS A 69 -12.752 5.256 9.830 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.040 4.137 11.346 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.183 6.925 11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.296 5.603 12.880 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.867 7.206 12.066 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.433 6.807 13.676 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.856 4.379 13.215 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.168 4.875 11.681 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.255 5.890 14.409 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.455 4.629 13.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.365 6.686 13.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.117 6.230 11.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.805 7.443 12.673 1.00 0.00 H new ATOM 1114 N THR A 70 -15.817 4.276 9.097 1.00 0.00 N ATOM 1115 CA THR A 70 -16.989 3.842 8.383 1.00 0.00 C ATOM 1116 C THR A 70 -16.811 2.375 7.982 1.00 0.00 C ATOM 1117 O THR A 70 -17.764 1.619 7.835 1.00 0.00 O ATOM 1118 CB THR A 70 -17.097 4.710 7.137 1.00 0.00 C ATOM 1119 OG1 THR A 70 -17.939 5.804 7.396 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.608 3.931 5.932 1.00 0.00 C ATOM 0 H THR A 70 -14.960 4.294 8.544 1.00 0.00 H new ATOM 0 HA THR A 70 -17.887 3.932 8.994 1.00 0.00 H new ATOM 0 HB THR A 70 -16.095 5.061 6.891 1.00 0.00 H new ATOM 0 HG1 THR A 70 -18.006 6.362 6.593 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.667 4.594 5.069 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.925 3.110 5.713 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.598 3.531 6.151 1.00 0.00 H new ATOM 1128 N GLY A 71 -15.517 2.041 7.816 1.00 0.00 N ATOM 1129 CA GLY A 71 -15.187 0.699 7.411 1.00 0.00 C ATOM 1130 C GLY A 71 -14.562 0.663 6.008 1.00 0.00 C ATOM 1131 O GLY A 71 -13.879 -0.282 5.630 1.00 0.00 O ATOM 0 H GLY A 71 -14.724 2.668 7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.493 0.263 8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.087 0.084 7.424 1.00 0.00 H new ATOM 1135 N LYS A 72 -14.842 1.754 5.275 1.00 0.00 N ATOM 1136 CA LYS A 72 -14.312 1.847 3.927 1.00 0.00 C ATOM 1137 C LYS A 72 -12.939 2.504 3.989 1.00 0.00 C ATOM 1138 O LYS A 72 -12.748 3.525 4.631 1.00 0.00 O ATOM 1139 CB LYS A 72 -15.265 2.662 3.058 1.00 0.00 C ATOM 1140 CG LYS A 72 -16.678 2.080 3.078 1.00 0.00 C ATOM 1141 CD LYS A 72 -17.681 3.021 2.412 1.00 0.00 C ATOM 1142 CE LYS A 72 -17.286 3.321 0.968 1.00 0.00 C ATOM 1143 NZ LYS A 72 -18.360 3.962 0.217 1.00 0.00 N ATOM 0 H LYS A 72 -15.407 2.545 5.584 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.215 0.855 3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.290 3.693 3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.895 2.685 2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.684 1.118 2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.981 1.893 4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.674 2.572 2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.740 3.952 2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.407 3.966 0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.004 2.393 0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.042 4.145 -0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.191 3.337 0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.613 4.862 0.673 1.00 0.00 H new ATOM 1157 N LEU A 73 -12.008 1.874 3.254 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.660 2.399 3.268 1.00 0.00 C ATOM 1159 C LEU A 73 -10.593 3.604 2.344 1.00 0.00 C ATOM 1160 O LEU A 73 -11.443 3.805 1.489 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.691 1.317 2.804 1.00 0.00 C ATOM 1162 CG LEU A 73 -9.541 0.201 3.839 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -8.674 -0.927 3.282 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -8.931 0.746 5.132 1.00 0.00 C ATOM 0 H LEU A 73 -12.162 1.047 2.677 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.384 2.705 4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.043 0.894 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.716 1.763 2.608 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.531 -0.196 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.576 -1.714 4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.140 -1.335 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.687 -0.538 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.832 -0.062 5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.948 1.167 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.578 1.522 5.541 1.00 0.00 H new ATOM 1176 N SER A 74 -9.537 4.396 2.580 1.00 0.00 N ATOM 1177 CA SER A 74 -9.376 5.577 1.754 1.00 0.00 C ATOM 1178 C SER A 74 -7.987 6.174 1.961 1.00 0.00 C ATOM 1179 O SER A 74 -7.053 5.518 2.405 1.00 0.00 O ATOM 1180 CB SER A 74 -10.455 6.596 2.114 1.00 0.00 C ATOM 1181 OG SER A 74 -10.333 6.993 3.456 1.00 0.00 O ATOM 0 H SER A 74 -8.825 4.246 3.295 1.00 0.00 H new ATOM 0 HA SER A 74 -9.479 5.305 0.704 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.373 7.466 1.463 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.441 6.164 1.945 1.00 0.00 H new ATOM 0 HG SER A 74 -9.541 6.573 3.851 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.931 7.468 1.606 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.676 8.183 1.735 1.00 0.00 C ATOM 1189 C ILE A 75 -6.981 9.665 1.965 1.00 0.00 C ATOM 1190 O ILE A 75 -7.886 10.231 1.365 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.874 8.002 0.445 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.844 6.530 0.030 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -4.448 8.531 0.597 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.849 6.295 -1.109 1.00 0.00 C ATOM 0 H ILE A 75 -8.713 8.013 1.243 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.096 7.800 2.574 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.371 8.580 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.572 5.914 0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.840 6.218 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.905 8.387 -0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.478 9.593 0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.943 7.990 1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.851 5.240 -1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.137 6.893 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.849 6.584 -0.784 1.00 0.00 H new ATOM 1206 N PRO A 76 -6.181 10.268 2.874 1.00 0.00 N ATOM 1207 CA PRO A 76 -6.320 11.672 3.205 1.00 0.00 C ATOM 1208 C PRO A 76 -6.365 12.533 1.950 1.00 0.00 C ATOM 1209 O PRO A 76 -7.341 13.212 1.658 1.00 0.00 O ATOM 1210 CB PRO A 76 -5.089 12.019 4.044 1.00 0.00 C ATOM 1211 CG PRO A 76 -4.357 10.698 4.335 1.00 0.00 C ATOM 1212 CD PRO A 76 -5.094 9.599 3.563 1.00 0.00 C ATOM 0 HA PRO A 76 -7.249 11.860 3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.439 12.710 3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.381 12.511 4.972 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.315 10.757 4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.356 10.485 5.404 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.429 9.103 2.857 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.472 8.831 4.238 1.00 0.00 H new ATOM 1220 N GLU A 77 -5.236 12.449 1.235 1.00 0.00 N ATOM 1221 CA GLU A 77 -5.136 13.197 0.001 1.00 0.00 C ATOM 1222 C GLU A 77 -5.485 12.274 -1.186 1.00 0.00 C ATOM 1223 O GLU A 77 -6.041 12.707 -2.187 1.00 0.00 O ATOM 1224 CB GLU A 77 -3.724 13.775 -0.117 1.00 0.00 C ATOM 1225 CG GLU A 77 -3.144 13.571 -1.509 1.00 0.00 C ATOM 1226 CD GLU A 77 -3.954 14.373 -2.530 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -5.012 14.884 -2.168 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -3.516 14.479 -3.675 1.00 0.00 O ATOM 0 H GLU A 77 -4.418 11.893 1.484 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.842 14.027 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.747 14.840 0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.075 13.302 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.101 13.888 -1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.161 12.512 -1.768 1.00 0.00 H new ATOM 1235 N GLY A 78 -5.113 10.983 -1.004 1.00 0.00 N ATOM 1236 CA GLY A 78 -5.409 10.011 -2.049 1.00 0.00 C ATOM 1237 C GLY A 78 -6.915 9.987 -2.340 1.00 0.00 C ATOM 1238 O GLY A 78 -7.587 11.010 -2.341 1.00 0.00 O ATOM 0 H GLY A 78 -4.632 10.617 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.860 10.263 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.075 9.021 -1.739 1.00 0.00 H new ATOM 1242 N LYS A 79 -7.397 8.752 -2.582 1.00 0.00 N ATOM 1243 CA LYS A 79 -8.814 8.607 -2.850 1.00 0.00 C ATOM 1244 C LYS A 79 -9.401 7.508 -1.961 1.00 0.00 C ATOM 1245 O LYS A 79 -8.696 6.769 -1.284 1.00 0.00 O ATOM 1246 CB LYS A 79 -9.011 8.314 -4.333 1.00 0.00 C ATOM 1247 CG LYS A 79 -10.000 7.182 -4.607 1.00 0.00 C ATOM 1248 CD LYS A 79 -9.992 6.802 -6.086 1.00 0.00 C ATOM 1249 CE LYS A 79 -11.329 6.202 -6.521 1.00 0.00 C ATOM 1250 NZ LYS A 79 -11.627 4.951 -5.835 1.00 0.00 N ATOM 0 H LYS A 79 -6.849 7.892 -2.595 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.344 9.530 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.361 9.219 -4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.048 8.059 -4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.742 6.313 -4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.003 7.490 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.776 7.685 -6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.193 6.085 -6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.126 6.919 -6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.313 6.028 -7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.408 4.466 -6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.784 4.342 -5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.903 5.151 -4.852 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.741 7.468 -2.017 1.00 0.00 N ATOM 1265 CA LYS A 80 -11.459 6.490 -1.205 1.00 0.00 C ATOM 1266 C LYS A 80 -11.548 5.150 -1.940 1.00 0.00 C ATOM 1267 O LYS A 80 -11.478 5.078 -3.161 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.853 7.025 -0.900 1.00 0.00 C ATOM 1269 CG LYS A 80 -12.784 8.241 0.020 1.00 0.00 C ATOM 1270 CD LYS A 80 -14.115 8.985 0.083 1.00 0.00 C ATOM 1271 CE LYS A 80 -14.002 10.235 0.951 1.00 0.00 C ATOM 1272 NZ LYS A 80 -15.247 10.991 1.008 1.00 0.00 N ATOM 0 H LYS A 80 -11.324 8.076 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.922 6.327 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.354 7.296 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.452 6.244 -0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.499 7.922 1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.006 8.918 -0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.428 9.264 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.885 8.327 0.485 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.710 9.947 1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.210 10.874 0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.117 11.829 1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.515 11.291 0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.999 10.393 1.406 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.705 4.096 -1.108 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.803 2.772 -1.676 1.00 0.00 C ATOM 1288 C PHE A 81 -12.549 1.831 -0.728 1.00 0.00 C ATOM 1289 O PHE A 81 -12.836 2.141 0.428 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.407 2.242 -1.912 1.00 0.00 C ATOM 1291 CG PHE A 81 -9.838 2.754 -3.199 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.288 2.238 -4.438 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.838 3.755 -3.186 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -9.743 2.717 -5.650 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.293 4.233 -4.396 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.744 3.714 -5.629 1.00 0.00 C ATOM 0 H PHE A 81 -11.762 4.148 -0.091 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.355 2.825 -2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.760 2.535 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.428 1.152 -1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -11.052 1.474 -4.457 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.490 4.155 -2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.091 2.320 -6.593 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.530 4.997 -4.379 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.325 4.079 -6.555 1.00 0.00 H new ATOM 1306 N ASP A 82 -12.799 0.641 -1.302 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.506 -0.377 -0.546 1.00 0.00 C ATOM 1308 C ASP A 82 -12.506 -1.156 0.305 1.00 0.00 C ATOM 1309 O ASP A 82 -12.573 -1.174 1.528 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.234 -1.311 -1.510 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.069 -2.325 -0.724 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -14.651 -2.710 0.367 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -16.127 -2.717 -1.212 1.00 0.00 O ATOM 0 H ASP A 82 -12.530 0.378 -2.250 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.241 0.088 0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.878 -0.733 -2.173 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.513 -1.832 -2.140 1.00 0.00 H new ATOM 1318 N THR A 83 -11.576 -1.797 -0.427 1.00 0.00 N ATOM 1319 CA THR A 83 -10.561 -2.557 0.256 1.00 0.00 C ATOM 1320 C THR A 83 -9.242 -2.297 -0.450 1.00 0.00 C ATOM 1321 O THR A 83 -9.189 -1.706 -1.521 1.00 0.00 O ATOM 1322 CB THR A 83 -10.909 -4.045 0.229 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.440 -4.378 -1.030 1.00 0.00 O ATOM 1324 CG2 THR A 83 -11.911 -4.415 1.324 1.00 0.00 C ATOM 0 H THR A 83 -11.520 -1.796 -1.445 1.00 0.00 H new ATOM 0 HA THR A 83 -10.491 -2.257 1.302 1.00 0.00 H new ATOM 0 HB THR A 83 -9.994 -4.608 0.413 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.662 -5.332 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.132 -5.481 1.270 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.486 -4.181 2.300 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.830 -3.847 1.183 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.189 -2.773 0.214 1.00 0.00 N ATOM 1333 CA LEU A 84 -6.884 -2.596 -0.335 1.00 0.00 C ATOM 1334 C LEU A 84 -6.722 -3.285 -1.688 1.00 0.00 C ATOM 1335 O LEU A 84 -5.696 -3.181 -2.340 1.00 0.00 O ATOM 1336 CB LEU A 84 -5.937 -3.201 0.670 1.00 0.00 C ATOM 1337 CG LEU A 84 -5.218 -2.142 1.491 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -4.258 -2.804 2.474 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.474 -1.180 0.575 1.00 0.00 C ATOM 0 H LEU A 84 -8.229 -3.267 1.105 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.689 -1.539 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.491 -3.861 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.202 -3.816 0.150 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.955 -1.573 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.748 -2.037 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.817 -3.458 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.522 -3.391 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.964 -0.427 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.742 -1.732 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.183 -0.692 -0.093 1.00 0.00 H new ATOM 1351 N TRP A 85 -7.791 -3.983 -2.057 1.00 0.00 N ATOM 1352 CA TRP A 85 -7.769 -4.679 -3.331 1.00 0.00 C ATOM 1353 C TRP A 85 -8.187 -3.727 -4.427 1.00 0.00 C ATOM 1354 O TRP A 85 -7.750 -3.803 -5.569 1.00 0.00 O ATOM 1355 CB TRP A 85 -8.764 -5.827 -3.278 1.00 0.00 C ATOM 1356 CG TRP A 85 -8.110 -7.108 -3.744 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -7.067 -7.201 -4.664 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -8.451 -8.440 -3.355 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -6.749 -8.515 -4.859 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -7.580 -9.318 -4.071 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -9.401 -8.950 -2.482 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -7.671 -10.693 -3.901 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -9.504 -10.352 -2.300 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -8.638 -11.225 -3.010 1.00 0.00 C ATOM 0 H TRP A 85 -8.650 -4.079 -1.515 1.00 0.00 H new ATOM 0 HA TRP A 85 -6.765 -5.055 -3.529 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -9.135 -5.949 -2.260 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -9.625 -5.600 -3.907 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -6.585 -6.364 -5.148 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -6.018 -8.858 -5.483 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -10.058 -8.283 -1.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -7.010 -11.353 -4.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.241 -10.756 -1.622 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -8.716 -12.293 -2.872 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.066 -2.828 -3.989 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.577 -1.862 -4.931 1.00 0.00 C ATOM 1377 C GLN A 86 -8.643 -0.680 -4.999 1.00 0.00 C ATOM 1378 O GLN A 86 -8.314 -0.182 -6.057 1.00 0.00 O ATOM 1379 CB GLN A 86 -10.984 -1.431 -4.528 1.00 0.00 C ATOM 1380 CG GLN A 86 -11.937 -2.624 -4.454 1.00 0.00 C ATOM 1381 CD GLN A 86 -12.001 -3.322 -5.814 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -12.527 -2.797 -6.788 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -11.430 -4.540 -5.807 1.00 0.00 N ATOM 0 H GLN A 86 -9.419 -2.755 -3.035 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.635 -2.313 -5.922 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.949 -0.932 -3.560 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.363 -0.705 -5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.598 -3.325 -3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.932 -2.289 -4.160 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.013 -4.903 -4.950 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.414 -5.101 -6.659 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.222 -0.273 -3.812 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.320 0.850 -3.790 1.00 0.00 C ATOM 1394 C LEU A 87 -6.000 0.484 -4.467 1.00 0.00 C ATOM 1395 O LEU A 87 -5.318 1.333 -5.019 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.103 1.275 -2.339 1.00 0.00 C ATOM 1397 CG LEU A 87 -6.114 2.429 -2.214 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -6.190 3.032 -0.812 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.694 1.945 -2.504 1.00 0.00 C ATOM 0 H LEU A 87 -8.473 -0.676 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.748 1.685 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.058 1.569 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.739 0.424 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.375 3.196 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.480 3.856 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.199 3.403 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.945 2.268 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.999 2.780 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.423 1.166 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.646 1.544 -3.516 1.00 0.00 H new ATOM 1411 N VAL A 88 -5.693 -0.824 -4.414 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.472 -1.257 -5.014 1.00 0.00 C ATOM 1413 C VAL A 88 -4.671 -1.522 -6.488 1.00 0.00 C ATOM 1414 O VAL A 88 -3.855 -1.154 -7.309 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.021 -2.534 -4.358 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -2.997 -3.200 -5.251 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.449 -2.254 -2.974 1.00 0.00 C ATOM 0 H VAL A 88 -6.260 -1.551 -3.978 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.725 -0.474 -4.884 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.871 -3.203 -4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.660 -4.128 -4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.447 -3.419 -6.219 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.146 -2.533 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.129 -3.190 -2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.595 -1.582 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.213 -1.789 -2.352 1.00 0.00 H new ATOM 1427 N GLU A 89 -5.777 -2.226 -6.768 1.00 0.00 N ATOM 1428 CA GLU A 89 -6.005 -2.549 -8.158 1.00 0.00 C ATOM 1429 C GLU A 89 -6.239 -1.286 -8.953 1.00 0.00 C ATOM 1430 O GLU A 89 -5.731 -1.105 -10.053 1.00 0.00 O ATOM 1431 CB GLU A 89 -7.180 -3.481 -8.285 1.00 0.00 C ATOM 1432 CG GLU A 89 -8.480 -2.838 -7.851 1.00 0.00 C ATOM 1433 CD GLU A 89 -9.294 -2.419 -9.076 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -9.862 -3.292 -9.730 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -9.352 -1.224 -9.361 1.00 0.00 O ATOM 0 H GLU A 89 -6.473 -2.556 -6.099 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.122 -3.049 -8.557 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.269 -3.809 -9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.000 -4.371 -7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.056 -3.537 -7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.274 -1.968 -7.227 1.00 0.00 H new ATOM 1442 N HIS A 90 -7.040 -0.425 -8.325 1.00 0.00 N ATOM 1443 CA HIS A 90 -7.335 0.818 -9.006 1.00 0.00 C ATOM 1444 C HIS A 90 -6.045 1.528 -9.303 1.00 0.00 C ATOM 1445 O HIS A 90 -5.732 1.882 -10.426 1.00 0.00 O ATOM 1446 CB HIS A 90 -8.217 1.699 -8.142 1.00 0.00 C ATOM 1447 CG HIS A 90 -9.046 2.602 -9.024 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -9.935 2.156 -9.938 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -9.049 4.008 -9.061 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -10.465 3.246 -10.517 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -9.947 4.377 -10.004 1.00 0.00 N ATOM 0 H HIS A 90 -7.467 -0.556 -7.408 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.865 0.603 -9.934 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.867 1.083 -7.521 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.603 2.296 -7.467 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -8.449 4.668 -8.452 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -11.213 3.218 -11.296 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -10.186 5.331 -10.274 1.00 0.00 H new ATOM 1459 N TYR A 91 -5.336 1.720 -8.206 1.00 0.00 N ATOM 1460 CA TYR A 91 -4.060 2.386 -8.324 1.00 0.00 C ATOM 1461 C TYR A 91 -3.134 1.578 -9.232 1.00 0.00 C ATOM 1462 O TYR A 91 -2.207 2.107 -9.830 1.00 0.00 O ATOM 1463 CB TYR A 91 -3.456 2.587 -6.951 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.965 3.864 -6.334 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -5.265 4.343 -6.650 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -3.166 4.598 -5.425 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -5.756 5.526 -6.061 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.662 5.787 -4.837 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.956 6.247 -5.155 1.00 0.00 C ATOM 1470 OH TYR A 91 -5.437 7.405 -4.580 1.00 0.00 O ATOM 0 H TYR A 91 -5.608 1.438 -7.264 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.199 3.368 -8.776 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.705 1.741 -6.310 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.369 2.620 -7.026 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.882 3.796 -7.347 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.174 4.250 -5.179 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.747 5.879 -6.305 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -3.048 6.342 -4.144 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.963 8.177 -4.953 1.00 0.00 H new ATOM 1480 N SER A 92 -3.435 0.261 -9.304 1.00 0.00 N ATOM 1481 CA SER A 92 -2.638 -0.562 -10.196 1.00 0.00 C ATOM 1482 C SER A 92 -2.774 -0.032 -11.627 1.00 0.00 C ATOM 1483 O SER A 92 -2.023 -0.380 -12.530 1.00 0.00 O ATOM 1484 CB SER A 92 -3.165 -1.972 -10.126 1.00 0.00 C ATOM 1485 OG SER A 92 -2.118 -2.906 -10.065 1.00 0.00 O ATOM 0 H SER A 92 -4.175 -0.215 -8.788 1.00 0.00 H new ATOM 0 HA SER A 92 -1.588 -0.538 -9.905 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.804 -2.081 -9.249 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.785 -2.174 -10.999 1.00 0.00 H new ATOM 0 HG SER A 92 -2.490 -3.812 -10.019 1.00 0.00 H new ATOM 1491 N TYR A 93 -3.792 0.835 -11.747 1.00 0.00 N ATOM 1492 CA TYR A 93 -4.079 1.430 -13.026 1.00 0.00 C ATOM 1493 C TYR A 93 -3.269 2.699 -13.159 1.00 0.00 C ATOM 1494 O TYR A 93 -2.481 2.886 -14.075 1.00 0.00 O ATOM 1495 CB TYR A 93 -5.559 1.793 -13.084 1.00 0.00 C ATOM 1496 CG TYR A 93 -6.455 0.622 -12.782 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -5.959 -0.705 -12.835 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -7.811 0.840 -12.442 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -6.810 -1.798 -12.554 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -8.663 -0.253 -12.161 1.00 0.00 C ATOM 1501 CZ TYR A 93 -8.162 -1.571 -12.217 1.00 0.00 C ATOM 1502 OH TYR A 93 -8.994 -2.638 -11.944 1.00 0.00 O ATOM 0 H TYR A 93 -4.406 1.123 -10.985 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.832 0.733 -13.826 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -5.761 2.593 -12.372 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.796 2.181 -14.075 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.925 -0.882 -13.092 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.198 1.847 -12.397 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.426 -2.807 -12.597 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.697 -0.079 -11.903 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.682 -2.361 -11.304 1.00 0.00 H new ATOM 1512 N LYS A 94 -3.584 3.564 -12.188 1.00 0.00 N ATOM 1513 CA LYS A 94 -2.940 4.836 -12.116 1.00 0.00 C ATOM 1514 C LYS A 94 -2.461 5.134 -10.714 1.00 0.00 C ATOM 1515 O LYS A 94 -2.622 4.372 -9.770 1.00 0.00 O ATOM 1516 CB LYS A 94 -3.971 5.872 -12.458 1.00 0.00 C ATOM 1517 CG LYS A 94 -5.253 5.653 -11.639 1.00 0.00 C ATOM 1518 CD LYS A 94 -6.368 6.606 -12.066 1.00 0.00 C ATOM 1519 CE LYS A 94 -7.206 6.011 -13.199 1.00 0.00 C ATOM 1520 NZ LYS A 94 -8.260 6.916 -13.643 1.00 0.00 N ATOM 0 H LYS A 94 -4.276 3.389 -11.459 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.085 4.840 -12.792 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.573 6.867 -12.261 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.201 5.826 -13.522 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.589 4.623 -11.759 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.037 5.797 -10.580 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.010 6.824 -11.212 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.936 7.553 -12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.557 5.772 -14.041 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.652 5.074 -12.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.800 6.469 -14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.897 7.124 -12.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.836 7.801 -13.988 1.00 0.00 H new ATOM 1534 N ALA A 95 -1.874 6.323 -10.676 1.00 0.00 N ATOM 1535 CA ALA A 95 -1.386 6.834 -9.411 1.00 0.00 C ATOM 1536 C ALA A 95 -2.581 7.385 -8.626 1.00 0.00 C ATOM 1537 O ALA A 95 -2.737 7.150 -7.438 1.00 0.00 O ATOM 1538 CB ALA A 95 -0.349 7.927 -9.661 1.00 0.00 C ATOM 0 H ALA A 95 -1.729 6.932 -11.481 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.906 6.042 -8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.015 8.308 -8.707 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.485 7.514 -10.229 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.806 8.740 -10.226 1.00 0.00 H new ATOM 1544 N ASP A 96 -3.423 8.118 -9.383 1.00 0.00 N ATOM 1545 CA ASP A 96 -4.610 8.692 -8.752 1.00 0.00 C ATOM 1546 C ASP A 96 -4.246 9.850 -7.822 1.00 0.00 C ATOM 1547 O ASP A 96 -5.094 10.589 -7.336 1.00 0.00 O ATOM 1548 CB ASP A 96 -5.331 7.607 -7.984 1.00 0.00 C ATOM 1549 CG ASP A 96 -6.712 7.360 -8.593 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -7.520 8.287 -8.612 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -6.965 6.243 -9.042 1.00 0.00 O ATOM 0 H ASP A 96 -3.308 8.315 -10.377 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.261 9.093 -9.529 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.747 6.687 -8.004 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.433 7.897 -6.938 1.00 0.00 H new ATOM 1556 N GLY A 97 -2.939 9.944 -7.623 1.00 0.00 N ATOM 1557 CA GLY A 97 -2.421 10.991 -6.761 1.00 0.00 C ATOM 1558 C GLY A 97 -1.007 10.667 -6.256 1.00 0.00 C ATOM 1559 O GLY A 97 -0.251 11.547 -5.862 1.00 0.00 O ATOM 0 H GLY A 97 -2.238 9.327 -8.034 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.405 11.935 -7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.089 11.125 -5.910 1.00 0.00 H new ATOM 1563 N LEU A 98 -0.711 9.349 -6.284 1.00 0.00 N ATOM 1564 CA LEU A 98 0.591 8.921 -5.827 1.00 0.00 C ATOM 1565 C LEU A 98 1.658 9.735 -6.544 1.00 0.00 C ATOM 1566 O LEU A 98 1.380 10.701 -7.244 1.00 0.00 O ATOM 1567 CB LEU A 98 0.785 7.451 -6.180 1.00 0.00 C ATOM 1568 CG LEU A 98 -0.354 6.586 -5.667 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -0.309 5.213 -6.317 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -0.271 6.470 -4.147 1.00 0.00 C ATOM 0 H LEU A 98 -1.335 8.609 -6.605 1.00 0.00 H new ATOM 0 HA LEU A 98 0.668 9.062 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.861 7.345 -7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.726 7.098 -5.758 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.303 7.053 -5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.131 4.605 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.402 5.319 -7.398 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.639 4.729 -6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.090 5.849 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.680 6.016 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.344 7.462 -3.702 1.00 0.00 H new ATOM 1582 N LEU A 99 2.895 9.268 -6.334 1.00 0.00 N ATOM 1583 CA LEU A 99 3.994 9.918 -7.016 1.00 0.00 C ATOM 1584 C LEU A 99 3.998 9.416 -8.468 1.00 0.00 C ATOM 1585 O LEU A 99 4.241 10.155 -9.415 1.00 0.00 O ATOM 1586 CB LEU A 99 5.302 9.575 -6.315 1.00 0.00 C ATOM 1587 CG LEU A 99 6.258 10.768 -6.287 1.00 0.00 C ATOM 1588 CD1 LEU A 99 6.275 11.473 -7.641 1.00 0.00 C ATOM 1589 CD2 LEU A 99 5.853 11.748 -5.184 1.00 0.00 C ATOM 0 H LEU A 99 3.142 8.485 -5.729 1.00 0.00 H new ATOM 0 HA LEU A 99 3.883 11.002 -7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.094 9.251 -5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.779 8.738 -6.824 1.00 0.00 H new ATOM 0 HG LEU A 99 7.262 10.400 -6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.961 12.319 -7.602 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.604 10.775 -8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.273 11.829 -7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.543 12.592 -5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.841 12.108 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.886 11.243 -4.219 1.00 0.00 H new ATOM 1601 N ARG A 100 3.702 8.100 -8.555 1.00 0.00 N ATOM 1602 CA ARG A 100 3.633 7.458 -9.849 1.00 0.00 C ATOM 1603 C ARG A 100 2.730 6.227 -9.725 1.00 0.00 C ATOM 1604 O ARG A 100 2.542 5.673 -8.648 1.00 0.00 O ATOM 1605 CB ARG A 100 5.031 7.046 -10.276 1.00 0.00 C ATOM 1606 CG ARG A 100 5.098 6.725 -11.770 1.00 0.00 C ATOM 1607 CD ARG A 100 5.649 7.902 -12.575 1.00 0.00 C ATOM 1608 NE ARG A 100 4.775 9.055 -12.454 1.00 0.00 N ATOM 1609 CZ ARG A 100 5.221 10.250 -12.884 1.00 0.00 C ATOM 1610 NH1 ARG A 100 6.442 10.360 -13.401 1.00 0.00 N ATOM 1611 NH2 ARG A 100 4.440 11.323 -12.791 1.00 0.00 N ATOM 0 H ARG A 100 3.515 7.492 -7.758 1.00 0.00 H new ATOM 0 HA ARG A 100 3.225 8.138 -10.597 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.733 7.848 -10.045 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.344 6.173 -9.703 1.00 0.00 H new ATOM 0 HG2 ARG A 100 5.728 5.850 -11.927 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.102 6.470 -12.133 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.648 8.157 -12.220 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.745 7.620 -13.623 1.00 0.00 H new ATOM 0 HE ARG A 100 3.842 8.961 -12.052 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.042 9.538 -13.472 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.778 11.266 -13.726 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.504 11.240 -12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.777 12.229 -13.117 1.00 0.00 H new ATOM 1625 N VAL A 101 2.187 5.841 -10.890 1.00 0.00 N ATOM 1626 CA VAL A 101 1.322 4.690 -10.912 1.00 0.00 C ATOM 1627 C VAL A 101 2.048 3.485 -10.315 1.00 0.00 C ATOM 1628 O VAL A 101 3.230 3.525 -9.997 1.00 0.00 O ATOM 1629 CB VAL A 101 0.993 4.378 -12.354 1.00 0.00 C ATOM 1630 CG1 VAL A 101 -0.203 3.463 -12.425 1.00 0.00 C ATOM 1631 CG2 VAL A 101 0.738 5.658 -13.154 1.00 0.00 C ATOM 0 H VAL A 101 2.334 6.300 -11.789 1.00 0.00 H new ATOM 0 HA VAL A 101 0.420 4.896 -10.336 1.00 0.00 H new ATOM 0 HB VAL A 101 1.851 3.874 -12.798 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.432 3.244 -13.468 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.018 2.534 -11.899 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.061 3.948 -11.959 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.504 5.401 -14.187 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.100 6.200 -12.716 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.629 6.286 -13.129 1.00 0.00 H new ATOM 1641 N LEU A 102 1.247 2.418 -10.196 1.00 0.00 N ATOM 1642 CA LEU A 102 1.789 1.166 -9.704 1.00 0.00 C ATOM 1643 C LEU A 102 1.943 0.230 -10.883 1.00 0.00 C ATOM 1644 O LEU A 102 1.294 0.364 -11.913 1.00 0.00 O ATOM 1645 CB LEU A 102 0.848 0.542 -8.699 1.00 0.00 C ATOM 1646 CG LEU A 102 0.879 1.239 -7.344 1.00 0.00 C ATOM 1647 CD1 LEU A 102 0.850 2.753 -7.487 1.00 0.00 C ATOM 1648 CD2 LEU A 102 -0.301 0.774 -6.501 1.00 0.00 C ATOM 0 H LEU A 102 0.254 2.403 -10.428 1.00 0.00 H new ATOM 0 HA LEU A 102 2.748 1.346 -9.218 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.168 0.571 -9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.109 -0.508 -8.568 1.00 0.00 H new ATOM 0 HG LEU A 102 1.814 0.972 -6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.873 3.212 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.717 3.081 -8.060 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.061 3.052 -8.005 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.276 1.274 -5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.232 1.019 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.241 -0.304 -6.354 1.00 0.00 H new ATOM 1660 N THR A 103 2.843 -0.717 -10.657 1.00 0.00 N ATOM 1661 CA THR A 103 3.110 -1.667 -11.707 1.00 0.00 C ATOM 1662 C THR A 103 3.577 -3.009 -11.123 1.00 0.00 C ATOM 1663 O THR A 103 3.248 -4.079 -11.620 1.00 0.00 O ATOM 1664 CB THR A 103 4.172 -1.039 -12.609 1.00 0.00 C ATOM 1665 OG1 THR A 103 3.631 -0.808 -13.885 1.00 0.00 O ATOM 1666 CG2 THR A 103 5.420 -1.893 -12.728 1.00 0.00 C ATOM 0 H THR A 103 3.375 -0.840 -9.795 1.00 0.00 H new ATOM 0 HA THR A 103 2.209 -1.885 -12.281 1.00 0.00 H new ATOM 0 HB THR A 103 4.471 -0.098 -12.148 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.313 -0.404 -14.461 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.139 -1.398 -13.380 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.861 -2.032 -11.741 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.158 -2.864 -13.148 1.00 0.00 H new ATOM 1674 N VAL A 104 4.362 -2.870 -10.039 1.00 0.00 N ATOM 1675 CA VAL A 104 4.910 -4.082 -9.411 1.00 0.00 C ATOM 1676 C VAL A 104 4.882 -3.990 -7.890 1.00 0.00 C ATOM 1677 O VAL A 104 4.999 -2.921 -7.317 1.00 0.00 O ATOM 1678 CB VAL A 104 6.378 -4.211 -9.828 1.00 0.00 C ATOM 1679 CG1 VAL A 104 7.036 -5.457 -9.229 1.00 0.00 C ATOM 1680 CG2 VAL A 104 6.522 -4.253 -11.346 1.00 0.00 C ATOM 0 H VAL A 104 4.619 -1.985 -9.601 1.00 0.00 H new ATOM 0 HA VAL A 104 4.307 -4.932 -9.729 1.00 0.00 H new ATOM 0 HB VAL A 104 6.885 -3.327 -9.441 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.076 -5.509 -9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.995 -5.403 -8.141 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.506 -6.347 -9.568 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.576 -4.345 -11.609 1.00 0.00 H new ATOM 0 HG22 VAL A 104 5.974 -5.109 -11.740 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.120 -3.335 -11.775 1.00 0.00 H new ATOM 1690 N PRO A 105 4.713 -5.185 -7.259 1.00 0.00 N ATOM 1691 CA PRO A 105 4.776 -5.299 -5.815 1.00 0.00 C ATOM 1692 C PRO A 105 6.211 -4.980 -5.369 1.00 0.00 C ATOM 1693 O PRO A 105 7.173 -5.405 -5.993 1.00 0.00 O ATOM 1694 CB PRO A 105 4.403 -6.745 -5.490 1.00 0.00 C ATOM 1695 CG PRO A 105 4.234 -7.477 -6.833 1.00 0.00 C ATOM 1696 CD PRO A 105 4.390 -6.427 -7.939 1.00 0.00 C ATOM 0 HA PRO A 105 4.103 -4.612 -5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.179 -7.218 -4.888 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.481 -6.785 -4.910 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.981 -8.264 -6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.256 -7.956 -6.891 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.179 -6.708 -8.637 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.472 -6.329 -8.518 1.00 0.00 H new ATOM 1704 N CYS A 106 6.302 -4.215 -4.273 1.00 0.00 N ATOM 1705 CA CYS A 106 7.635 -3.792 -3.858 1.00 0.00 C ATOM 1706 C CYS A 106 8.287 -4.759 -2.883 1.00 0.00 C ATOM 1707 O CYS A 106 9.473 -5.048 -2.973 1.00 0.00 O ATOM 1708 CB CYS A 106 7.556 -2.399 -3.254 1.00 0.00 C ATOM 1709 SG CYS A 106 9.096 -1.478 -3.423 1.00 0.00 S ATOM 0 H CYS A 106 5.524 -3.897 -3.695 1.00 0.00 H new ATOM 0 HA CYS A 106 8.267 -3.780 -4.746 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.751 -1.844 -3.736 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.300 -2.480 -2.198 1.00 0.00 H new ATOM 0 HG CYS A 106 9.143 -0.924 -4.598 1.00 0.00 H new ATOM 1715 N GLN A 107 7.461 -5.220 -1.939 1.00 0.00 N ATOM 1716 CA GLN A 107 7.987 -6.117 -0.952 1.00 0.00 C ATOM 1717 C GLN A 107 8.937 -7.125 -1.572 1.00 0.00 C ATOM 1718 O GLN A 107 9.052 -7.282 -2.782 1.00 0.00 O ATOM 1719 CB GLN A 107 6.845 -6.820 -0.267 1.00 0.00 C ATOM 1720 CG GLN A 107 7.079 -6.896 1.230 1.00 0.00 C ATOM 1721 CD GLN A 107 7.952 -8.104 1.575 1.00 0.00 C ATOM 1722 OE1 GLN A 107 7.943 -9.124 0.896 1.00 0.00 O ATOM 1723 NE2 GLN A 107 8.703 -7.915 2.675 1.00 0.00 N ATOM 0 H GLN A 107 6.471 -4.990 -1.851 1.00 0.00 H new ATOM 0 HA GLN A 107 8.555 -5.542 -0.221 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.914 -6.291 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.734 -7.825 -0.674 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.561 -5.981 1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.124 -6.970 1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.650 -7.032 3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.326 -8.654 3.001 1.00 0.00 H new ATOM 1857 N GLU B 3 4.078 10.841 2.016 1.00 0.00 N ATOM 1858 CA GLU B 3 4.081 11.622 0.803 1.00 0.00 C ATOM 1859 C GLU B 3 2.658 12.063 0.515 1.00 0.00 C ATOM 1860 O GLU B 3 1.704 11.575 1.107 1.00 0.00 O ATOM 1861 CB GLU B 3 4.651 10.797 -0.321 1.00 0.00 C ATOM 1862 CG GLU B 3 6.105 10.451 -0.037 1.00 0.00 C ATOM 1863 CD GLU B 3 6.826 11.629 0.621 1.00 0.00 C ATOM 1864 OE1 GLU B 3 6.709 11.785 1.836 1.00 0.00 O ATOM 1865 OE2 GLU B 3 7.497 12.377 -0.089 1.00 0.00 O ATOM 0 HA GLU B 3 4.705 12.509 0.909 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.069 9.883 -0.442 1.00 0.00 H new ATOM 0 HB3 GLU B 3 4.578 11.348 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.155 9.579 0.614 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.608 10.184 -0.966 1.00 0.00 H new ATOM 1872 N THR B 4 2.569 13.013 -0.425 1.00 0.00 N ATOM 1873 CA THR B 4 1.246 13.505 -0.742 1.00 0.00 C ATOM 1874 C THR B 4 0.732 12.857 -2.011 1.00 0.00 C ATOM 1875 O THR B 4 1.297 12.963 -3.093 1.00 0.00 O ATOM 1876 CB THR B 4 1.264 15.023 -0.861 1.00 0.00 C ATOM 1877 OG1 THR B 4 0.045 15.548 -0.391 1.00 0.00 O ATOM 1878 CG2 THR B 4 1.488 15.475 -2.302 1.00 0.00 C ATOM 0 H THR B 4 3.345 13.426 -0.942 1.00 0.00 H new ATOM 0 HA THR B 4 0.565 13.239 0.066 1.00 0.00 H new ATOM 0 HB THR B 4 2.092 15.395 -0.258 1.00 0.00 H new ATOM 0 HG1 THR B 4 0.059 16.525 -0.467 1.00 0.00 H new ATOM 0 HG21 THR B 4 1.494 16.564 -2.345 1.00 0.00 H new ATOM 0 HG22 THR B 4 2.444 15.092 -2.659 1.00 0.00 H new ATOM 0 HG23 THR B 4 0.686 15.092 -2.932 1.00 0.00 H new ATOM 1886 N LEU B 5 -0.384 12.169 -1.765 1.00 0.00 N ATOM 1887 CA LEU B 5 -1.034 11.451 -2.812 1.00 0.00 C ATOM 1888 C LEU B 5 -1.813 12.417 -3.705 1.00 0.00 C ATOM 1889 O LEU B 5 -2.958 12.178 -4.068 1.00 0.00 O ATOM 1890 CB LEU B 5 -1.955 10.438 -2.159 1.00 0.00 C ATOM 1891 CG LEU B 5 -1.622 9.068 -2.670 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -2.074 7.992 -1.720 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -2.291 8.872 -3.992 1.00 0.00 C ATOM 0 H LEU B 5 -0.837 12.106 -0.853 1.00 0.00 H new ATOM 0 HA LEU B 5 -0.311 10.940 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.843 10.472 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.995 10.679 -2.380 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.539 8.993 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.814 7.015 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.582 8.127 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.154 8.054 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.057 7.879 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.370 8.969 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -1.935 9.625 -4.695 1.00 0.00 H new