USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=21 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 48:sc= -2.36! USER MOD Set 1.2: A 62 HIS : no HE2:sc= -5.55! C(o=-7.9!,f=-24!) USER MOD Set 2.1: A 36 ASN : amide:sc= -13.3! C(o=-15!,f=-15!) USER MOD Set 2.2: A 56 HIS : no HD1:sc= -1.96 K(o=-15,f=-21!) USER MOD Set 3.1: A 17 HIS : no HD1:sc= -3.27! X(o=-7.4!,f=-7.2) USER MOD Set 3.2: A 107 GLN : amide:sc= -4.18! C(o=-7.4!,f=-12!) USER MOD Single : A 25 SER OG : rot -88:sc= 0.544 USER MOD Single : A 27 GLN : amide:sc= -0.569 K(o=-0.57,f=-3.3!) USER MOD Single : A 33 SER OG : rot 60:sc= -1.8! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 38 LYS NZ :NH3+ -110:sc= -0.153 (180deg=-2.26!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0263) USER MOD Single : A 63 TYR OH : rot 70:sc= -0.252 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 77:sc= 0.0899 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -176:sc= -1.32! USER MOD Single : A 79 LYS NZ :NH3+ -173:sc= 2.35 (180deg=2.11) USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0723) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 86 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.51) USER MOD Single : A 90 HIS : no HE2:sc= -0.707 X(o=-0.71,f=-0.58) USER MOD Single : A 91 TYR OH : rot -9:sc= -1.38! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 157:sc= -0.459 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 170:sc= -18! USER MOD Single : B 4 THR OG1 : rot 36:sc= 0.0748 USER MOD ----------------------------------------------------------------- ATOM 209 N TRP A 15 2.814 -7.051 -3.160 1.00 0.00 N ATOM 210 CA TRP A 15 2.738 -5.623 -2.880 1.00 0.00 C ATOM 211 C TRP A 15 1.902 -5.348 -1.620 1.00 0.00 C ATOM 212 O TRP A 15 1.521 -4.221 -1.361 1.00 0.00 O ATOM 213 CB TRP A 15 2.165 -4.843 -4.080 1.00 0.00 C ATOM 214 CG TRP A 15 1.019 -5.580 -4.750 1.00 0.00 C ATOM 215 CD1 TRP A 15 1.092 -6.270 -5.959 1.00 0.00 C ATOM 216 CD2 TRP A 15 -0.328 -5.680 -4.288 1.00 0.00 C ATOM 217 NE1 TRP A 15 -0.135 -6.788 -6.261 1.00 0.00 N ATOM 218 CE2 TRP A 15 -1.045 -6.449 -5.256 1.00 0.00 C ATOM 219 CE3 TRP A 15 -0.972 -5.193 -3.162 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -2.396 -6.720 -5.081 1.00 0.00 C ATOM 221 CZ3 TRP A 15 -2.351 -5.463 -2.971 1.00 0.00 C ATOM 222 CH2 TRP A 15 -3.064 -6.228 -3.932 1.00 0.00 C ATOM 0 HA TRP A 15 3.756 -5.275 -2.702 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.819 -3.866 -3.744 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.957 -4.667 -4.808 1.00 0.00 H new ATOM 0 HD1 TRP A 15 1.981 -6.378 -6.563 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.354 -7.338 -7.092 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.427 -4.611 -2.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -2.934 -7.302 -5.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.859 -5.087 -2.095 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.114 -6.435 -3.787 1.00 0.00 H new ATOM 233 N PHE A 16 1.640 -6.426 -0.847 1.00 0.00 N ATOM 234 CA PHE A 16 0.868 -6.209 0.362 1.00 0.00 C ATOM 235 C PHE A 16 1.364 -7.092 1.499 1.00 0.00 C ATOM 236 O PHE A 16 0.877 -8.193 1.724 1.00 0.00 O ATOM 237 CB PHE A 16 -0.599 -6.500 0.092 1.00 0.00 C ATOM 238 CG PHE A 16 -1.489 -5.921 1.168 1.00 0.00 C ATOM 239 CD1 PHE A 16 -0.930 -5.338 2.339 1.00 0.00 C ATOM 240 CD2 PHE A 16 -2.900 -5.984 1.041 1.00 0.00 C ATOM 241 CE1 PHE A 16 -1.765 -4.838 3.362 1.00 0.00 C ATOM 242 CE2 PHE A 16 -3.734 -5.482 2.067 1.00 0.00 C ATOM 243 CZ PHE A 16 -3.167 -4.909 3.225 1.00 0.00 C ATOM 0 H PHE A 16 1.934 -7.385 -1.032 1.00 0.00 H new ATOM 0 HA PHE A 16 0.989 -5.168 0.661 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.881 -6.085 -0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.752 -7.578 0.034 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.143 -5.277 2.447 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.340 -6.418 0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.330 -4.401 4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.808 -5.537 1.964 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.806 -4.525 4.006 1.00 0.00 H new ATOM 253 N HIS A 17 2.360 -6.531 2.200 1.00 0.00 N ATOM 254 CA HIS A 17 2.886 -7.247 3.340 1.00 0.00 C ATOM 255 C HIS A 17 2.488 -6.494 4.606 1.00 0.00 C ATOM 256 O HIS A 17 2.961 -5.400 4.890 1.00 0.00 O ATOM 257 CB HIS A 17 4.394 -7.361 3.242 1.00 0.00 C ATOM 258 CG HIS A 17 4.753 -8.479 2.294 1.00 0.00 C ATOM 259 ND1 HIS A 17 5.699 -9.409 2.548 1.00 0.00 N ATOM 260 CD2 HIS A 17 4.194 -8.756 1.033 1.00 0.00 C ATOM 261 CE1 HIS A 17 5.721 -10.229 1.483 1.00 0.00 C ATOM 262 NE2 HIS A 17 4.823 -9.856 0.556 1.00 0.00 N ATOM 0 H HIS A 17 2.791 -5.628 2.002 1.00 0.00 H new ATOM 0 HA HIS A 17 2.477 -8.257 3.366 1.00 0.00 H new ATOM 0 HB2 HIS A 17 4.818 -6.421 2.890 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.820 -7.554 4.227 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.412 -8.198 0.540 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.378 -11.081 1.385 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.648 -10.315 -0.338 1.00 0.00 H new ATOM 353 N GLU A 23 10.696 0.621 7.133 1.00 0.00 N ATOM 354 CA GLU A 23 12.064 0.712 6.711 1.00 0.00 C ATOM 355 C GLU A 23 12.385 -0.564 5.950 1.00 0.00 C ATOM 356 O GLU A 23 12.990 -0.569 4.887 1.00 0.00 O ATOM 357 CB GLU A 23 12.921 0.833 7.964 1.00 0.00 C ATOM 358 CG GLU A 23 13.376 -0.516 8.511 1.00 0.00 C ATOM 359 CD GLU A 23 14.358 -0.305 9.665 1.00 0.00 C ATOM 360 OE1 GLU A 23 15.461 0.178 9.416 1.00 0.00 O ATOM 361 OE2 GLU A 23 14.006 -0.626 10.799 1.00 0.00 O ATOM 0 HA GLU A 23 12.252 1.572 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.797 1.442 7.740 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.356 1.359 8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.514 -1.088 8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.850 -1.098 7.720 1.00 0.00 H new ATOM 368 N GLU A 24 11.920 -1.641 6.599 1.00 0.00 N ATOM 369 CA GLU A 24 12.100 -2.955 6.010 1.00 0.00 C ATOM 370 C GLU A 24 11.487 -2.981 4.601 1.00 0.00 C ATOM 371 O GLU A 24 11.947 -3.680 3.708 1.00 0.00 O ATOM 372 CB GLU A 24 11.424 -3.991 6.902 1.00 0.00 C ATOM 373 CG GLU A 24 11.978 -3.958 8.326 1.00 0.00 C ATOM 374 CD GLU A 24 11.209 -4.944 9.207 1.00 0.00 C ATOM 375 OE1 GLU A 24 10.040 -5.200 8.921 1.00 0.00 O ATOM 376 OE2 GLU A 24 11.788 -5.445 10.170 1.00 0.00 O ATOM 0 H GLU A 24 11.436 -1.623 7.497 1.00 0.00 H new ATOM 0 HA GLU A 24 13.162 -3.185 5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.350 -3.806 6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.568 -4.985 6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.038 -4.213 8.319 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.895 -2.951 8.734 1.00 0.00 H new ATOM 383 N SER A 25 10.425 -2.160 4.471 1.00 0.00 N ATOM 384 CA SER A 25 9.727 -2.094 3.196 1.00 0.00 C ATOM 385 C SER A 25 10.378 -1.078 2.248 1.00 0.00 C ATOM 386 O SER A 25 10.301 -1.200 1.032 1.00 0.00 O ATOM 387 CB SER A 25 8.282 -1.693 3.463 1.00 0.00 C ATOM 388 OG SER A 25 8.208 -0.341 3.839 1.00 0.00 O ATOM 0 H SER A 25 10.052 -1.561 5.207 1.00 0.00 H new ATOM 0 HA SER A 25 9.777 -3.071 2.715 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.681 -1.862 2.570 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.864 -2.319 4.251 1.00 0.00 H new ATOM 0 HG SER A 25 8.318 -0.265 4.810 1.00 0.00 H new ATOM 394 N GLU A 26 11.019 -0.076 2.877 1.00 0.00 N ATOM 395 CA GLU A 26 11.640 0.957 2.092 1.00 0.00 C ATOM 396 C GLU A 26 13.046 0.534 1.645 1.00 0.00 C ATOM 397 O GLU A 26 13.597 1.064 0.688 1.00 0.00 O ATOM 398 CB GLU A 26 11.673 2.212 2.955 1.00 0.00 C ATOM 399 CG GLU A 26 12.963 2.993 2.773 1.00 0.00 C ATOM 400 CD GLU A 26 13.003 4.177 3.741 1.00 0.00 C ATOM 401 OE1 GLU A 26 11.977 4.468 4.355 1.00 0.00 O ATOM 402 OE2 GLU A 26 14.059 4.795 3.870 1.00 0.00 O ATOM 0 H GLU A 26 11.109 0.023 3.888 1.00 0.00 H new ATOM 0 HA GLU A 26 11.077 1.146 1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.825 2.848 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.562 1.934 4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.819 2.341 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.039 3.350 1.746 1.00 0.00 H new ATOM 409 N GLN A 27 13.586 -0.447 2.390 1.00 0.00 N ATOM 410 CA GLN A 27 14.901 -0.933 2.024 1.00 0.00 C ATOM 411 C GLN A 27 14.699 -1.961 0.916 1.00 0.00 C ATOM 412 O GLN A 27 15.520 -2.141 0.029 1.00 0.00 O ATOM 413 CB GLN A 27 15.596 -1.545 3.234 1.00 0.00 C ATOM 414 CG GLN A 27 14.729 -2.611 3.888 1.00 0.00 C ATOM 415 CD GLN A 27 15.241 -4.003 3.511 1.00 0.00 C ATOM 416 OE1 GLN A 27 15.870 -4.203 2.479 1.00 0.00 O ATOM 417 NE2 GLN A 27 14.928 -4.943 4.420 1.00 0.00 N ATOM 0 H GLN A 27 13.153 -0.889 3.201 1.00 0.00 H new ATOM 0 HA GLN A 27 15.540 -0.123 1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.546 -1.983 2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.824 -0.764 3.959 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.744 -2.490 4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.693 -2.496 3.568 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.399 -4.689 5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.219 -5.910 4.275 1.00 0.00 H new ATOM 426 N ILE A 28 13.534 -2.621 1.032 1.00 0.00 N ATOM 427 CA ILE A 28 13.183 -3.573 0.042 1.00 0.00 C ATOM 428 C ILE A 28 12.924 -2.852 -1.269 1.00 0.00 C ATOM 429 O ILE A 28 13.269 -3.308 -2.351 1.00 0.00 O ATOM 430 CB ILE A 28 11.928 -4.241 0.541 1.00 0.00 C ATOM 431 CG1 ILE A 28 12.259 -5.311 1.562 1.00 0.00 C ATOM 432 CG2 ILE A 28 11.139 -4.825 -0.611 1.00 0.00 C ATOM 433 CD1 ILE A 28 10.997 -5.769 2.288 1.00 0.00 C ATOM 0 H ILE A 28 12.859 -2.498 1.787 1.00 0.00 H new ATOM 0 HA ILE A 28 13.971 -4.306 -0.131 1.00 0.00 H new ATOM 0 HB ILE A 28 11.311 -3.486 1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.729 -6.161 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.979 -4.923 2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.237 -5.303 -0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.863 -4.030 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.748 -5.564 -1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.255 -6.537 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.544 -4.920 2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.290 -6.177 1.566 1.00 0.00 H new ATOM 445 N VAL A 29 12.265 -1.707 -1.094 1.00 0.00 N ATOM 446 CA VAL A 29 11.991 -0.900 -2.252 1.00 0.00 C ATOM 447 C VAL A 29 13.305 -0.396 -2.835 1.00 0.00 C ATOM 448 O VAL A 29 13.422 -0.102 -4.018 1.00 0.00 O ATOM 449 CB VAL A 29 11.112 0.264 -1.811 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.375 1.498 -2.662 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.633 -0.121 -1.853 1.00 0.00 C ATOM 0 H VAL A 29 11.930 -1.341 -0.202 1.00 0.00 H new ATOM 0 HA VAL A 29 11.477 -1.476 -3.021 1.00 0.00 H new ATOM 0 HB VAL A 29 11.368 0.505 -0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.735 2.314 -2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.420 1.792 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.159 1.273 -3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.027 0.727 -1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.359 -0.401 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.457 -0.964 -1.185 1.00 0.00 H new ATOM 461 N LEU A 30 14.276 -0.313 -1.925 1.00 0.00 N ATOM 462 CA LEU A 30 15.567 0.115 -2.333 1.00 0.00 C ATOM 463 C LEU A 30 16.085 -0.879 -3.371 1.00 0.00 C ATOM 464 O LEU A 30 16.763 -0.535 -4.332 1.00 0.00 O ATOM 465 CB LEU A 30 16.418 0.118 -1.070 1.00 0.00 C ATOM 466 CG LEU A 30 17.461 -0.989 -1.054 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.674 -0.606 -1.887 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.876 -1.308 0.368 1.00 0.00 C ATOM 0 H LEU A 30 14.176 -0.534 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 30 15.579 1.105 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.918 1.082 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.769 0.011 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 30 17.014 -1.880 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 30 19.405 -1.414 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.367 -0.430 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.122 0.302 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.623 -2.102 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.299 -0.417 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 30 17.005 -1.635 0.937 1.00 0.00 H new ATOM 480 N ILE A 31 15.702 -2.141 -3.088 1.00 0.00 N ATOM 481 CA ILE A 31 16.105 -3.204 -3.954 1.00 0.00 C ATOM 482 C ILE A 31 15.491 -3.001 -5.310 1.00 0.00 C ATOM 483 O ILE A 31 16.146 -2.743 -6.313 1.00 0.00 O ATOM 484 CB ILE A 31 15.598 -4.548 -3.433 1.00 0.00 C ATOM 485 CG1 ILE A 31 15.365 -4.574 -1.932 1.00 0.00 C ATOM 486 CG2 ILE A 31 16.549 -5.629 -3.841 1.00 0.00 C ATOM 487 CD1 ILE A 31 16.514 -5.247 -1.179 1.00 0.00 C ATOM 0 H ILE A 31 15.133 -2.417 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 31 17.194 -3.203 -4.001 1.00 0.00 H new ATOM 0 HB ILE A 31 14.620 -4.716 -3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 31 15.243 -3.554 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.435 -5.102 -1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.189 -6.589 -3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.617 -5.662 -4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.534 -5.424 -3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 31 16.301 -5.241 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.621 -6.276 -1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 31 17.440 -4.704 -1.368 1.00 0.00 H new ATOM 499 N GLY A 32 14.165 -3.147 -5.246 1.00 0.00 N ATOM 500 CA GLY A 32 13.408 -3.058 -6.465 1.00 0.00 C ATOM 501 C GLY A 32 12.655 -1.735 -6.602 1.00 0.00 C ATOM 502 O GLY A 32 12.169 -1.170 -5.633 1.00 0.00 O ATOM 0 H GLY A 32 13.626 -3.319 -4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.081 -3.177 -7.314 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.695 -3.882 -6.505 1.00 0.00 H new ATOM 506 N SER A 33 12.612 -1.311 -7.890 1.00 0.00 N ATOM 507 CA SER A 33 11.924 -0.070 -8.256 1.00 0.00 C ATOM 508 C SER A 33 12.831 0.737 -9.192 1.00 0.00 C ATOM 509 O SER A 33 13.352 0.212 -10.167 1.00 0.00 O ATOM 510 CB SER A 33 11.529 0.735 -7.019 1.00 0.00 C ATOM 511 OG SER A 33 10.935 1.952 -7.393 1.00 0.00 O ATOM 0 H SER A 33 13.040 -1.807 -8.672 1.00 0.00 H new ATOM 0 HA SER A 33 10.996 -0.309 -8.775 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.835 0.157 -6.408 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.410 0.927 -6.406 1.00 0.00 H new ATOM 0 HG SER A 33 10.133 1.774 -7.928 1.00 0.00 H new ATOM 517 N LYS A 34 12.973 2.039 -8.843 1.00 0.00 N ATOM 518 CA LYS A 34 13.818 2.896 -9.665 1.00 0.00 C ATOM 519 C LYS A 34 13.023 3.449 -10.829 1.00 0.00 C ATOM 520 O LYS A 34 12.902 4.648 -11.048 1.00 0.00 O ATOM 521 CB LYS A 34 14.968 2.074 -10.226 1.00 0.00 C ATOM 522 CG LYS A 34 16.184 2.940 -10.511 1.00 0.00 C ATOM 523 CD LYS A 34 17.486 2.218 -10.166 1.00 0.00 C ATOM 524 CE LYS A 34 18.709 3.043 -10.567 1.00 0.00 C ATOM 525 NZ LYS A 34 19.961 2.377 -10.230 1.00 0.00 N ATOM 0 H LYS A 34 12.534 2.488 -8.039 1.00 0.00 H new ATOM 0 HA LYS A 34 14.192 3.715 -9.050 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.236 1.290 -9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.649 1.579 -11.143 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.192 3.221 -11.564 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.116 3.863 -9.935 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.518 2.015 -9.095 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.514 1.254 -10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.679 3.235 -11.640 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.670 4.012 -10.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.761 2.974 -10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.004 2.217 -9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.013 1.464 -10.725 1.00 0.00 H new ATOM 539 N THR A 35 12.498 2.459 -11.549 1.00 0.00 N ATOM 540 CA THR A 35 11.733 2.742 -12.746 1.00 0.00 C ATOM 541 C THR A 35 10.496 3.609 -12.486 1.00 0.00 C ATOM 542 O THR A 35 9.705 3.886 -13.380 1.00 0.00 O ATOM 543 CB THR A 35 11.317 1.409 -13.341 1.00 0.00 C ATOM 544 OG1 THR A 35 12.032 0.362 -12.727 1.00 0.00 O ATOM 545 CG2 THR A 35 11.561 1.372 -14.837 1.00 0.00 C ATOM 0 H THR A 35 12.590 1.469 -11.323 1.00 0.00 H new ATOM 0 HA THR A 35 12.358 3.317 -13.429 1.00 0.00 H new ATOM 0 HB THR A 35 10.249 1.284 -13.161 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.756 -0.494 -13.116 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.253 0.404 -15.232 1.00 0.00 H new ATOM 0 HG22 THR A 35 10.984 2.161 -15.319 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.622 1.524 -15.037 1.00 0.00 H new ATOM 553 N ASN A 36 10.387 4.009 -11.227 1.00 0.00 N ATOM 554 CA ASN A 36 9.262 4.843 -10.851 1.00 0.00 C ATOM 555 C ASN A 36 7.965 4.142 -11.239 1.00 0.00 C ATOM 556 O ASN A 36 7.527 4.163 -12.383 1.00 0.00 O ATOM 557 CB ASN A 36 9.374 6.196 -11.550 1.00 0.00 C ATOM 558 CG ASN A 36 8.137 7.044 -11.247 1.00 0.00 C ATOM 559 OD1 ASN A 36 7.643 7.788 -12.085 1.00 0.00 O ATOM 560 ND2 ASN A 36 7.678 6.876 -9.994 1.00 0.00 N ATOM 0 H ASN A 36 11.038 3.779 -10.476 1.00 0.00 H new ATOM 0 HA ASN A 36 9.264 5.008 -9.774 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.272 6.715 -11.215 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.472 6.052 -12.626 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.856 7.391 -9.679 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.152 6.234 -9.359 1.00 0.00 H new ATOM 567 N GLY A 37 7.388 3.526 -10.198 1.00 0.00 N ATOM 568 CA GLY A 37 6.144 2.809 -10.406 1.00 0.00 C ATOM 569 C GLY A 37 6.034 1.584 -9.495 1.00 0.00 C ATOM 570 O GLY A 37 4.985 0.959 -9.403 1.00 0.00 O ATOM 0 H GLY A 37 7.751 3.513 -9.245 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.304 3.478 -10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.076 2.495 -11.447 1.00 0.00 H new ATOM 574 N LYS A 38 7.166 1.271 -8.826 1.00 0.00 N ATOM 575 CA LYS A 38 7.109 0.124 -7.956 1.00 0.00 C ATOM 576 C LYS A 38 6.419 0.551 -6.683 1.00 0.00 C ATOM 577 O LYS A 38 6.469 1.704 -6.283 1.00 0.00 O ATOM 578 CB LYS A 38 8.496 -0.407 -7.669 1.00 0.00 C ATOM 579 CG LYS A 38 8.440 -1.883 -7.282 1.00 0.00 C ATOM 580 CD LYS A 38 9.826 -2.514 -7.291 1.00 0.00 C ATOM 581 CE LYS A 38 9.768 -4.029 -7.497 1.00 0.00 C ATOM 582 NZ LYS A 38 10.899 -4.524 -8.273 1.00 0.00 N ATOM 0 H LYS A 38 8.057 1.766 -8.876 1.00 0.00 H new ATOM 0 HA LYS A 38 6.554 -0.684 -8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.128 -0.280 -8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.951 0.168 -6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.999 -1.984 -6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.791 -2.418 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.424 -2.064 -8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.329 -2.296 -6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.751 -4.525 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.839 -4.289 -8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.569 -4.830 -9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.602 -3.766 -8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.333 -5.330 -7.779 1.00 0.00 H new ATOM 596 N PHE A 39 5.781 -0.443 -6.069 1.00 0.00 N ATOM 597 CA PHE A 39 5.051 -0.097 -4.860 1.00 0.00 C ATOM 598 C PHE A 39 4.743 -1.318 -3.998 1.00 0.00 C ATOM 599 O PHE A 39 4.547 -2.425 -4.476 1.00 0.00 O ATOM 600 CB PHE A 39 3.745 0.593 -5.262 1.00 0.00 C ATOM 601 CG PHE A 39 2.706 -0.399 -5.704 1.00 0.00 C ATOM 602 CD1 PHE A 39 2.743 -0.965 -7.002 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.681 -0.782 -4.810 1.00 0.00 C ATOM 604 CE1 PHE A 39 1.762 -1.903 -7.398 1.00 0.00 C ATOM 605 CE2 PHE A 39 0.701 -1.716 -5.203 1.00 0.00 C ATOM 606 CZ PHE A 39 0.740 -2.279 -6.497 1.00 0.00 C ATOM 0 H PHE A 39 5.753 -1.420 -6.361 1.00 0.00 H new ATOM 0 HA PHE A 39 5.676 0.567 -4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.363 1.169 -4.419 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.940 1.300 -6.069 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.523 -0.679 -7.692 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.648 -0.356 -3.818 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.794 -2.332 -8.389 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.080 -2.001 -4.514 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.010 -2.996 -6.798 1.00 0.00 H new ATOM 616 N LEU A 40 4.660 -1.002 -2.698 1.00 0.00 N ATOM 617 CA LEU A 40 4.327 -2.031 -1.743 1.00 0.00 C ATOM 618 C LEU A 40 3.554 -1.391 -0.591 1.00 0.00 C ATOM 619 O LEU A 40 4.027 -0.482 0.081 1.00 0.00 O ATOM 620 CB LEU A 40 5.599 -2.689 -1.233 1.00 0.00 C ATOM 621 CG LEU A 40 6.214 -1.882 -0.096 1.00 0.00 C ATOM 622 CD1 LEU A 40 5.484 -2.165 1.215 1.00 0.00 C ATOM 623 CD2 LEU A 40 7.698 -2.208 0.041 1.00 0.00 C ATOM 0 H LEU A 40 4.815 -0.073 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 40 3.711 -2.798 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.377 -3.699 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.317 -2.781 -2.048 1.00 0.00 H new ATOM 0 HG LEU A 40 6.110 -0.822 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.936 -1.581 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.434 -1.891 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.560 -3.226 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.125 -1.625 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.819 -3.270 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.212 -1.962 -0.888 1.00 0.00 H new ATOM 635 N ILE A 41 2.334 -1.917 -0.421 1.00 0.00 N ATOM 636 CA ILE A 41 1.498 -1.408 0.651 1.00 0.00 C ATOM 637 C ILE A 41 1.617 -2.342 1.853 1.00 0.00 C ATOM 638 O ILE A 41 1.976 -3.507 1.733 1.00 0.00 O ATOM 639 CB ILE A 41 0.052 -1.325 0.172 1.00 0.00 C ATOM 640 CG1 ILE A 41 -0.906 -1.215 1.357 1.00 0.00 C ATOM 641 CG2 ILE A 41 -0.291 -2.548 -0.665 1.00 0.00 C ATOM 642 CD1 ILE A 41 -0.623 0.027 2.197 1.00 0.00 C ATOM 0 H ILE A 41 1.926 -2.660 -0.988 1.00 0.00 H new ATOM 0 HA ILE A 41 1.822 -0.409 0.943 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.056 -0.431 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.933 -1.182 0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.817 -2.104 1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.325 -2.480 -1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.371 -2.594 -1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.164 -3.448 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.325 0.070 3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.396 -0.019 2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.738 0.918 1.579 1.00 0.00 H new ATOM 654 N ARG A 42 1.294 -1.751 3.013 1.00 0.00 N ATOM 655 CA ARG A 42 1.376 -2.537 4.234 1.00 0.00 C ATOM 656 C ARG A 42 0.182 -2.210 5.135 1.00 0.00 C ATOM 657 O ARG A 42 -0.383 -1.124 5.096 1.00 0.00 O ATOM 658 CB ARG A 42 2.709 -2.247 4.934 1.00 0.00 C ATOM 659 CG ARG A 42 2.528 -1.883 6.411 1.00 0.00 C ATOM 660 CD ARG A 42 3.872 -1.744 7.125 1.00 0.00 C ATOM 661 NE ARG A 42 4.873 -1.218 6.215 1.00 0.00 N ATOM 662 CZ ARG A 42 4.699 0.016 5.708 1.00 0.00 C ATOM 663 NH1 ARG A 42 3.627 0.730 6.043 1.00 0.00 N ATOM 664 NH2 ARG A 42 5.599 0.524 4.871 1.00 0.00 N ATOM 0 H ARG A 42 0.990 -0.784 3.123 1.00 0.00 H new ATOM 0 HA ARG A 42 1.339 -3.601 4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.355 -3.121 4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.215 -1.429 4.421 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.975 -0.947 6.491 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.931 -2.650 6.905 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.768 -1.082 7.985 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.191 -2.714 7.506 1.00 0.00 H new ATOM 0 HE ARG A 42 5.692 -1.773 5.965 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.936 0.342 6.685 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.497 1.665 5.658 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.421 -0.022 4.613 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.467 1.460 4.487 1.00 0.00 H new ATOM 678 N ALA A 43 -0.154 -3.231 5.947 1.00 0.00 N ATOM 679 CA ALA A 43 -1.279 -3.061 6.850 1.00 0.00 C ATOM 680 C ALA A 43 -0.894 -3.526 8.256 1.00 0.00 C ATOM 681 O ALA A 43 0.092 -4.223 8.462 1.00 0.00 O ATOM 682 CB ALA A 43 -2.463 -3.870 6.329 1.00 0.00 C ATOM 0 H ALA A 43 0.318 -4.134 5.989 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.556 -2.008 6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.312 -3.747 7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.735 -3.518 5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.189 -4.924 6.278 1.00 0.00 H new ATOM 770 N TYR A 50 -2.592 2.200 8.186 1.00 0.00 N ATOM 771 CA TYR A 50 -2.064 1.615 6.961 1.00 0.00 C ATOM 772 C TYR A 50 -1.377 2.719 6.157 1.00 0.00 C ATOM 773 O TYR A 50 -1.635 3.901 6.347 1.00 0.00 O ATOM 774 CB TYR A 50 -3.201 0.995 6.133 1.00 0.00 C ATOM 775 CG TYR A 50 -4.151 0.178 6.972 1.00 0.00 C ATOM 776 CD1 TYR A 50 -5.097 0.819 7.811 1.00 0.00 C ATOM 777 CD2 TYR A 50 -4.116 -1.237 6.925 1.00 0.00 C ATOM 778 CE1 TYR A 50 -5.995 0.056 8.591 1.00 0.00 C ATOM 779 CE2 TYR A 50 -5.016 -2.000 7.706 1.00 0.00 C ATOM 780 CZ TYR A 50 -5.955 -1.353 8.538 1.00 0.00 C ATOM 781 OH TYR A 50 -6.833 -2.098 9.299 1.00 0.00 O ATOM 0 HA TYR A 50 -1.351 0.828 7.205 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.755 1.789 5.632 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.775 0.363 5.354 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.132 1.898 7.854 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.399 -1.736 6.290 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.712 0.552 9.228 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.984 -3.079 7.665 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.672 -3.052 9.144 1.00 0.00 H new ATOM 791 N ALA A 51 -0.489 2.265 5.251 1.00 0.00 N ATOM 792 CA ALA A 51 0.205 3.250 4.437 1.00 0.00 C ATOM 793 C ALA A 51 0.852 2.589 3.217 1.00 0.00 C ATOM 794 O ALA A 51 1.588 1.611 3.313 1.00 0.00 O ATOM 795 CB ALA A 51 1.257 3.970 5.280 1.00 0.00 C ATOM 0 H ALA A 51 -0.253 1.288 5.078 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.520 3.980 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.774 4.707 4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.771 4.472 6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.977 3.245 5.660 1.00 0.00 H new ATOM 801 N LEU A 52 0.507 3.204 2.068 1.00 0.00 N ATOM 802 CA LEU A 52 1.050 2.732 0.800 1.00 0.00 C ATOM 803 C LEU A 52 2.471 3.273 0.651 1.00 0.00 C ATOM 804 O LEU A 52 2.738 4.425 0.930 1.00 0.00 O ATOM 805 CB LEU A 52 0.148 3.242 -0.329 1.00 0.00 C ATOM 806 CG LEU A 52 0.930 3.694 -1.567 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.652 2.504 -2.207 1.00 0.00 C ATOM 808 CD2 LEU A 52 -0.030 4.325 -2.571 1.00 0.00 C ATOM 0 H LEU A 52 -0.125 4.002 2.001 1.00 0.00 H new ATOM 0 HA LEU A 52 1.083 1.643 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.548 2.453 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.449 4.076 0.040 1.00 0.00 H new ATOM 0 HG LEU A 52 1.677 4.429 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.203 2.842 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.347 2.070 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.921 1.752 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.525 4.647 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.783 3.593 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.519 5.186 -2.115 1.00 0.00 H new ATOM 820 N CYS A 53 3.366 2.377 0.196 1.00 0.00 N ATOM 821 CA CYS A 53 4.744 2.821 0.053 1.00 0.00 C ATOM 822 C CYS A 53 5.313 2.427 -1.311 1.00 0.00 C ATOM 823 O CYS A 53 5.494 1.260 -1.622 1.00 0.00 O ATOM 824 CB CYS A 53 5.580 2.207 1.171 1.00 0.00 C ATOM 825 SG CYS A 53 4.777 2.323 2.788 1.00 0.00 S ATOM 0 H CYS A 53 3.172 1.409 -0.061 1.00 0.00 H new ATOM 0 HA CYS A 53 4.774 3.908 0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.774 1.159 0.941 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.547 2.708 1.213 1.00 0.00 H new ATOM 0 HG CYS A 53 3.544 1.922 2.690 1.00 0.00 H new ATOM 831 N LEU A 54 5.603 3.491 -2.086 1.00 0.00 N ATOM 832 CA LEU A 54 6.176 3.258 -3.411 1.00 0.00 C ATOM 833 C LEU A 54 7.414 4.139 -3.573 1.00 0.00 C ATOM 834 O LEU A 54 7.737 4.943 -2.711 1.00 0.00 O ATOM 835 CB LEU A 54 5.141 3.535 -4.514 1.00 0.00 C ATOM 836 CG LEU A 54 4.472 4.913 -4.415 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.313 4.890 -3.418 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.485 5.987 -4.035 1.00 0.00 C ATOM 0 H LEU A 54 5.457 4.468 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 54 6.467 2.212 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.629 3.449 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.370 2.765 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 54 4.070 5.158 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.857 5.879 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.568 4.163 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.686 4.612 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.984 6.953 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.928 5.744 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.268 6.033 -4.792 1.00 0.00 H new ATOM 850 N LEU A 55 8.102 3.937 -4.716 1.00 0.00 N ATOM 851 CA LEU A 55 9.286 4.752 -4.923 1.00 0.00 C ATOM 852 C LEU A 55 9.191 5.496 -6.250 1.00 0.00 C ATOM 853 O LEU A 55 8.755 4.964 -7.264 1.00 0.00 O ATOM 854 CB LEU A 55 10.518 3.864 -4.899 1.00 0.00 C ATOM 855 CG LEU A 55 11.804 4.688 -4.992 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.489 4.816 -3.638 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.764 4.052 -5.983 1.00 0.00 C ATOM 0 H LEU A 55 7.873 3.267 -5.450 1.00 0.00 H new ATOM 0 HA LEU A 55 9.361 5.490 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.527 3.276 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.476 3.158 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 55 11.528 5.686 -5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.398 5.408 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.817 5.308 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.743 3.824 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.675 4.647 -6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.010 3.042 -5.654 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.296 4.009 -6.967 1.00 0.00 H new ATOM 869 N HIS A 56 9.633 6.766 -6.167 1.00 0.00 N ATOM 870 CA HIS A 56 9.608 7.583 -7.365 1.00 0.00 C ATOM 871 C HIS A 56 10.812 7.227 -8.252 1.00 0.00 C ATOM 872 O HIS A 56 10.786 6.276 -9.020 1.00 0.00 O ATOM 873 CB HIS A 56 9.631 9.060 -6.974 1.00 0.00 C ATOM 874 CG HIS A 56 9.547 9.909 -8.219 1.00 0.00 C ATOM 875 ND1 HIS A 56 8.905 9.532 -9.346 1.00 0.00 N ATOM 876 CD2 HIS A 56 10.093 11.188 -8.432 1.00 0.00 C ATOM 877 CE1 HIS A 56 9.050 10.542 -10.221 1.00 0.00 C ATOM 878 NE2 HIS A 56 9.763 11.553 -9.693 1.00 0.00 N ATOM 0 H HIS A 56 9.991 7.217 -5.325 1.00 0.00 H new ATOM 0 HA HIS A 56 8.696 7.391 -7.930 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.796 9.285 -6.310 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.545 9.288 -6.426 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.666 11.768 -7.724 1.00 0.00 H new ATOM 0 HE1 HIS A 56 8.645 10.542 -11.222 1.00 0.00 H new ATOM 0 HE2 HIS A 56 10.008 12.429 -10.155 1.00 0.00 H new ATOM 886 N GLU A 57 11.864 8.053 -8.090 1.00 0.00 N ATOM 887 CA GLU A 57 13.069 7.824 -8.886 1.00 0.00 C ATOM 888 C GLU A 57 14.292 7.555 -7.989 1.00 0.00 C ATOM 889 O GLU A 57 15.428 7.513 -8.448 1.00 0.00 O ATOM 890 CB GLU A 57 13.322 9.066 -9.719 1.00 0.00 C ATOM 891 CG GLU A 57 12.099 9.443 -10.555 1.00 0.00 C ATOM 892 CD GLU A 57 12.288 8.968 -11.997 1.00 0.00 C ATOM 893 OE1 GLU A 57 12.846 9.719 -12.795 1.00 0.00 O ATOM 894 OE2 GLU A 57 11.873 7.852 -12.306 1.00 0.00 O ATOM 0 H GLU A 57 11.901 8.844 -7.447 1.00 0.00 H new ATOM 0 HA GLU A 57 12.920 6.948 -9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.585 9.896 -9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.174 8.896 -10.377 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.203 8.992 -10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.953 10.523 -10.535 1.00 0.00 H new ATOM 901 N GLY A 58 13.981 7.380 -6.698 1.00 0.00 N ATOM 902 CA GLY A 58 15.043 7.133 -5.734 1.00 0.00 C ATOM 903 C GLY A 58 14.754 7.832 -4.395 1.00 0.00 C ATOM 904 O GLY A 58 15.650 8.211 -3.650 1.00 0.00 O ATOM 0 H GLY A 58 13.037 7.404 -6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.148 6.060 -5.572 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.992 7.489 -6.135 1.00 0.00 H new ATOM 908 N LYS A 59 13.439 7.966 -4.162 1.00 0.00 N ATOM 909 CA LYS A 59 12.970 8.578 -2.953 1.00 0.00 C ATOM 910 C LYS A 59 11.699 7.839 -2.590 1.00 0.00 C ATOM 911 O LYS A 59 10.628 8.061 -3.147 1.00 0.00 O ATOM 912 CB LYS A 59 12.696 10.058 -3.172 1.00 0.00 C ATOM 913 CG LYS A 59 13.893 10.764 -3.807 1.00 0.00 C ATOM 914 CD LYS A 59 13.711 10.938 -5.315 1.00 0.00 C ATOM 915 CE LYS A 59 14.762 11.884 -5.898 1.00 0.00 C ATOM 916 NZ LYS A 59 14.653 12.012 -7.347 1.00 0.00 N ATOM 0 H LYS A 59 12.705 7.656 -4.799 1.00 0.00 H new ATOM 0 HA LYS A 59 13.710 8.516 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.822 10.176 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.459 10.530 -2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.029 11.740 -3.342 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.799 10.190 -3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.781 9.967 -5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.714 11.328 -5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.655 12.867 -5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.757 11.519 -5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.329 12.726 -7.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.865 11.097 -7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.687 12.304 -7.598 1.00 0.00 H new ATOM 930 N VAL A 60 11.903 6.933 -1.640 1.00 0.00 N ATOM 931 CA VAL A 60 10.789 6.117 -1.224 1.00 0.00 C ATOM 932 C VAL A 60 9.751 6.983 -0.528 1.00 0.00 C ATOM 933 O VAL A 60 10.057 7.919 0.201 1.00 0.00 O ATOM 934 CB VAL A 60 11.273 5.032 -0.272 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.377 5.592 1.140 1.00 0.00 C ATOM 936 CG2 VAL A 60 10.316 3.843 -0.281 1.00 0.00 C ATOM 0 H VAL A 60 12.789 6.755 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 60 10.339 5.651 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 60 12.255 4.694 -0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.724 4.811 1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.084 6.422 1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.398 5.945 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.679 3.078 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.325 4.171 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.259 3.429 -1.288 1.00 0.00 H new ATOM 946 N LEU A 61 8.513 6.573 -0.791 1.00 0.00 N ATOM 947 CA LEU A 61 7.398 7.282 -0.208 1.00 0.00 C ATOM 948 C LEU A 61 6.497 6.327 0.532 1.00 0.00 C ATOM 949 O LEU A 61 6.500 5.119 0.328 1.00 0.00 O ATOM 950 CB LEU A 61 6.616 8.005 -1.293 1.00 0.00 C ATOM 951 CG LEU A 61 7.573 8.741 -2.207 1.00 0.00 C ATOM 952 CD1 LEU A 61 6.826 9.527 -3.284 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.428 9.653 -1.348 1.00 0.00 C ATOM 0 H LEU A 61 8.269 5.780 -1.384 1.00 0.00 H new ATOM 0 HA LEU A 61 7.783 8.016 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.026 7.290 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.915 8.708 -0.843 1.00 0.00 H new ATOM 0 HG LEU A 61 8.205 8.027 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.544 10.043 -3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.231 8.842 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.170 10.258 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.129 10.197 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.789 10.362 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.982 9.056 -0.623 1.00 0.00 H new ATOM 965 N HIS A 62 5.725 6.976 1.400 1.00 0.00 N ATOM 966 CA HIS A 62 4.795 6.205 2.209 1.00 0.00 C ATOM 967 C HIS A 62 3.544 7.032 2.504 1.00 0.00 C ATOM 968 O HIS A 62 3.538 7.856 3.396 1.00 0.00 O ATOM 969 CB HIS A 62 5.451 5.818 3.541 1.00 0.00 C ATOM 970 CG HIS A 62 6.791 5.146 3.319 1.00 0.00 C ATOM 971 ND1 HIS A 62 7.011 3.824 3.490 1.00 0.00 N ATOM 972 CD2 HIS A 62 8.011 5.748 2.959 1.00 0.00 C ATOM 973 CE1 HIS A 62 8.316 3.620 3.246 1.00 0.00 C ATOM 974 NE2 HIS A 62 8.941 4.765 2.923 1.00 0.00 N ATOM 0 H HIS A 62 5.723 7.984 1.556 1.00 0.00 H new ATOM 0 HA HIS A 62 4.522 5.307 1.655 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.585 6.708 4.155 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.792 5.147 4.092 1.00 0.00 H new ATOM 0 HD1 HIS A 62 6.322 3.119 3.753 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.174 6.795 2.751 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.802 2.657 3.302 1.00 0.00 H new ATOM 982 N TYR A 63 2.496 6.768 1.704 1.00 0.00 N ATOM 983 CA TYR A 63 1.250 7.474 1.941 1.00 0.00 C ATOM 984 C TYR A 63 0.468 6.729 3.015 1.00 0.00 C ATOM 985 O TYR A 63 0.590 5.523 3.171 1.00 0.00 O ATOM 986 CB TYR A 63 0.433 7.514 0.656 1.00 0.00 C ATOM 987 CG TYR A 63 1.139 8.286 -0.405 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.249 9.694 -0.322 1.00 0.00 C ATOM 989 CD2 TYR A 63 1.724 7.610 -1.497 1.00 0.00 C ATOM 990 CE1 TYR A 63 1.942 10.404 -1.319 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.416 8.323 -2.491 1.00 0.00 C ATOM 992 CZ TYR A 63 2.527 9.723 -2.405 1.00 0.00 C ATOM 993 OH TYR A 63 3.206 10.426 -3.379 1.00 0.00 O ATOM 0 H TYR A 63 2.493 6.104 0.929 1.00 0.00 H new ATOM 0 HA TYR A 63 1.456 8.494 2.265 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.247 6.498 0.308 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.539 7.966 0.853 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.801 10.223 0.506 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.639 6.536 -1.569 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.026 11.479 -1.252 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.863 7.796 -3.321 1.00 0.00 H new ATOM 0 HH TYR A 63 4.042 10.777 -3.006 1.00 0.00 H new ATOM 1003 N ARG A 64 -0.336 7.516 3.747 1.00 0.00 N ATOM 1004 CA ARG A 64 -1.138 6.882 4.774 1.00 0.00 C ATOM 1005 C ARG A 64 -2.370 6.281 4.113 1.00 0.00 C ATOM 1006 O ARG A 64 -2.606 6.434 2.923 1.00 0.00 O ATOM 1007 CB ARG A 64 -1.558 7.896 5.831 1.00 0.00 C ATOM 1008 CG ARG A 64 -0.812 7.687 7.148 1.00 0.00 C ATOM 1009 CD ARG A 64 -0.980 8.883 8.086 1.00 0.00 C ATOM 1010 NE ARG A 64 -0.309 8.632 9.348 1.00 0.00 N ATOM 1011 CZ ARG A 64 -0.382 9.565 10.316 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -1.058 10.692 10.109 1.00 0.00 N ATOM 1013 NH2 ARG A 64 0.223 9.359 11.483 1.00 0.00 N ATOM 0 H ARG A 64 -0.439 8.526 3.650 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.554 6.105 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.369 8.904 5.463 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.631 7.816 6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.181 6.786 7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.247 7.529 6.946 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.570 9.779 7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.039 9.071 8.261 1.00 0.00 H new ATOM 0 HE ARG A 64 0.208 7.766 9.499 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.523 10.851 9.215 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.112 11.397 10.844 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.741 8.495 11.643 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.169 10.065 12.217 1.00 0.00 H new ATOM 1027 N ILE A 65 -3.141 5.615 4.979 1.00 0.00 N ATOM 1028 CA ILE A 65 -4.360 4.978 4.503 1.00 0.00 C ATOM 1029 C ILE A 65 -5.181 4.518 5.705 1.00 0.00 C ATOM 1030 O ILE A 65 -4.654 4.041 6.703 1.00 0.00 O ATOM 1031 CB ILE A 65 -4.011 3.788 3.604 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -3.774 4.254 2.171 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -5.133 2.745 3.624 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.297 4.182 1.791 1.00 0.00 C ATOM 0 H ILE A 65 -2.949 5.508 5.975 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.945 5.688 3.918 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.099 3.333 3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.356 3.637 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.129 5.278 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.864 1.909 2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.277 2.385 4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.057 3.198 3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.169 4.522 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.718 4.820 2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.948 3.153 1.879 1.00 0.00 H new ATOM 1046 N ASP A 66 -6.505 4.694 5.542 1.00 0.00 N ATOM 1047 CA ASP A 66 -7.387 4.294 6.619 1.00 0.00 C ATOM 1048 C ASP A 66 -8.684 3.735 6.046 1.00 0.00 C ATOM 1049 O ASP A 66 -8.670 2.954 5.115 1.00 0.00 O ATOM 1050 CB ASP A 66 -7.634 5.498 7.527 1.00 0.00 C ATOM 1051 CG ASP A 66 -8.227 5.037 8.860 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -7.597 4.222 9.532 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -9.311 5.498 9.211 1.00 0.00 O ATOM 0 H ASP A 66 -6.956 5.090 4.717 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.930 3.504 7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.699 6.031 7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.314 6.197 7.040 1.00 0.00 H new ATOM 1058 N LYS A 67 -9.770 4.123 6.743 1.00 0.00 N ATOM 1059 CA LYS A 67 -11.093 3.727 6.344 1.00 0.00 C ATOM 1060 C LYS A 67 -12.089 4.763 6.877 1.00 0.00 C ATOM 1061 O LYS A 67 -11.805 5.953 6.936 1.00 0.00 O ATOM 1062 CB LYS A 67 -11.345 2.347 6.931 1.00 0.00 C ATOM 1063 CG LYS A 67 -11.481 2.407 8.448 1.00 0.00 C ATOM 1064 CD LYS A 67 -11.051 1.093 9.098 1.00 0.00 C ATOM 1065 CE LYS A 67 -11.987 -0.055 8.721 1.00 0.00 C ATOM 1066 NZ LYS A 67 -11.738 -1.256 9.510 1.00 0.00 N ATOM 0 H LYS A 67 -9.736 4.707 7.578 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.205 3.680 5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.253 1.926 6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.525 1.680 6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.873 3.224 8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.515 2.625 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.034 0.850 8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.036 1.210 10.182 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.021 0.261 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.866 -0.287 7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.397 -2.006 9.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.760 -1.575 9.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.879 -1.044 10.518 1.00 0.00 H new ATOM 1080 N ASP A 68 -13.263 4.238 7.259 1.00 0.00 N ATOM 1081 CA ASP A 68 -14.282 5.134 7.790 1.00 0.00 C ATOM 1082 C ASP A 68 -15.135 4.382 8.811 1.00 0.00 C ATOM 1083 O ASP A 68 -16.357 4.466 8.823 1.00 0.00 O ATOM 1084 CB ASP A 68 -15.146 5.659 6.646 1.00 0.00 C ATOM 1085 CG ASP A 68 -15.333 7.171 6.786 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -14.458 7.914 6.342 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -16.351 7.589 7.336 1.00 0.00 O ATOM 0 H ASP A 68 -13.516 3.251 7.212 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.810 5.982 8.285 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.677 5.429 5.689 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -16.116 5.162 6.653 1.00 0.00 H new ATOM 1092 N LYS A 69 -14.399 3.639 9.660 1.00 0.00 N ATOM 1093 CA LYS A 69 -15.071 2.837 10.680 1.00 0.00 C ATOM 1094 C LYS A 69 -16.360 2.231 10.122 1.00 0.00 C ATOM 1095 O LYS A 69 -17.362 2.072 10.808 1.00 0.00 O ATOM 1096 CB LYS A 69 -15.351 3.695 11.910 1.00 0.00 C ATOM 1097 CG LYS A 69 -14.072 4.345 12.438 1.00 0.00 C ATOM 1098 CD LYS A 69 -12.875 3.400 12.319 1.00 0.00 C ATOM 1099 CE LYS A 69 -11.622 3.996 12.962 1.00 0.00 C ATOM 1100 NZ LYS A 69 -10.456 3.133 12.811 1.00 0.00 N ATOM 0 H LYS A 69 -13.381 3.582 9.658 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.420 2.014 10.975 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.077 4.468 11.659 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.798 3.080 12.691 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.871 5.261 11.882 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.211 4.629 13.481 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.112 2.449 12.796 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.680 3.189 11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.413 4.967 12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.808 4.169 14.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.633 3.580 13.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.643 2.215 13.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.260 2.988 11.800 1.00 0.00 H new ATOM 1114 N THR A 70 -16.241 1.909 8.831 1.00 0.00 N ATOM 1115 CA THR A 70 -17.334 1.301 8.124 1.00 0.00 C ATOM 1116 C THR A 70 -16.855 -0.016 7.504 1.00 0.00 C ATOM 1117 O THR A 70 -17.613 -0.958 7.309 1.00 0.00 O ATOM 1118 CB THR A 70 -17.743 2.267 7.026 1.00 0.00 C ATOM 1119 OG1 THR A 70 -18.755 3.123 7.495 1.00 0.00 O ATOM 1120 CG2 THR A 70 -18.212 1.539 5.779 1.00 0.00 C ATOM 0 H THR A 70 -15.402 2.063 8.273 1.00 0.00 H new ATOM 0 HA THR A 70 -18.173 1.092 8.787 1.00 0.00 H new ATOM 0 HB THR A 70 -16.865 2.853 6.754 1.00 0.00 H new ATOM 0 HG1 THR A 70 -18.361 3.810 8.073 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.495 2.266 5.018 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.406 0.912 5.399 1.00 0.00 H new ATOM 0 HG23 THR A 70 -19.072 0.916 6.023 1.00 0.00 H new ATOM 1128 N GLY A 71 -15.538 0.000 7.210 1.00 0.00 N ATOM 1129 CA GLY A 71 -14.943 -1.157 6.592 1.00 0.00 C ATOM 1130 C GLY A 71 -14.189 -0.792 5.303 1.00 0.00 C ATOM 1131 O GLY A 71 -13.304 -1.507 4.850 1.00 0.00 O ATOM 0 H GLY A 71 -14.904 0.779 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.256 -1.631 7.293 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.720 -1.887 6.364 1.00 0.00 H new ATOM 1135 N LYS A 72 -14.604 0.365 4.754 1.00 0.00 N ATOM 1136 CA LYS A 72 -13.972 0.825 3.529 1.00 0.00 C ATOM 1137 C LYS A 72 -12.784 1.705 3.896 1.00 0.00 C ATOM 1138 O LYS A 72 -12.892 2.636 4.682 1.00 0.00 O ATOM 1139 CB LYS A 72 -14.978 1.603 2.683 1.00 0.00 C ATOM 1140 CG LYS A 72 -15.983 0.672 2.001 1.00 0.00 C ATOM 1141 CD LYS A 72 -17.075 0.210 2.967 1.00 0.00 C ATOM 1142 CE LYS A 72 -18.107 -0.673 2.266 1.00 0.00 C ATOM 1143 NZ LYS A 72 -19.066 -1.253 3.198 1.00 0.00 N ATOM 0 H LYS A 72 -15.340 0.966 5.126 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.625 -0.026 2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.511 2.314 3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.447 2.182 1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.440 1.187 1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.460 -0.197 1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.623 -0.341 3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.572 1.079 3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.640 -0.083 1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.594 -1.473 1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.745 -1.843 2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.563 -1.839 3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.576 -0.492 3.690 1.00 0.00 H new ATOM 1157 N LEU A 73 -11.662 1.380 3.236 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.454 2.119 3.528 1.00 0.00 C ATOM 1159 C LEU A 73 -10.519 3.476 2.830 1.00 0.00 C ATOM 1160 O LEU A 73 -11.346 3.703 1.958 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.259 1.318 3.021 1.00 0.00 C ATOM 1162 CG LEU A 73 -9.323 -0.141 3.474 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -8.082 -0.898 3.003 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -9.451 -0.222 4.996 1.00 0.00 C ATOM 0 H LEU A 73 -11.578 0.646 2.533 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.352 2.279 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.228 1.360 1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.337 1.772 3.384 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.203 -0.605 3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.141 -1.935 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.027 -0.866 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.191 -0.434 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.495 -1.267 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.588 0.256 5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.361 0.288 5.312 1.00 0.00 H new ATOM 1176 N SER A 74 -9.606 4.366 3.270 1.00 0.00 N ATOM 1177 CA SER A 74 -9.599 5.680 2.656 1.00 0.00 C ATOM 1178 C SER A 74 -8.282 6.386 2.952 1.00 0.00 C ATOM 1179 O SER A 74 -7.838 6.487 4.089 1.00 0.00 O ATOM 1180 CB SER A 74 -10.771 6.496 3.190 1.00 0.00 C ATOM 1181 OG SER A 74 -10.704 7.821 2.728 1.00 0.00 O ATOM 0 H SER A 74 -8.913 4.204 4.000 1.00 0.00 H new ATOM 0 HA SER A 74 -9.701 5.577 1.576 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.710 6.042 2.874 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.762 6.485 4.280 1.00 0.00 H new ATOM 0 HG SER A 74 -11.428 8.345 3.130 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.696 6.868 1.845 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.440 7.577 1.974 1.00 0.00 C ATOM 1189 C ILE A 75 -6.724 9.006 2.434 1.00 0.00 C ATOM 1190 O ILE A 75 -7.676 9.640 1.998 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.741 7.614 0.618 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.753 6.240 -0.051 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -4.304 8.108 0.766 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.712 6.166 -1.174 1.00 0.00 C ATOM 0 H ILE A 75 -8.061 6.780 0.896 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.802 7.073 2.700 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.292 8.309 -0.016 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.548 5.469 0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.745 6.037 -0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.823 8.127 -0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.306 9.113 1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.755 7.437 1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.742 5.178 -1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.934 6.923 -1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.719 6.345 -0.762 1.00 0.00 H new ATOM 1206 N PRO A 76 -5.847 9.487 3.345 1.00 0.00 N ATOM 1207 CA PRO A 76 -5.949 10.835 3.862 1.00 0.00 C ATOM 1208 C PRO A 76 -6.026 11.848 2.725 1.00 0.00 C ATOM 1209 O PRO A 76 -6.987 12.592 2.572 1.00 0.00 O ATOM 1210 CB PRO A 76 -4.675 11.055 4.681 1.00 0.00 C ATOM 1211 CG PRO A 76 -3.939 9.706 4.744 1.00 0.00 C ATOM 1212 CD PRO A 76 -4.730 8.725 3.876 1.00 0.00 C ATOM 0 HA PRO A 76 -6.850 10.965 4.462 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.046 11.816 4.218 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.918 11.409 5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.917 9.807 4.379 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.877 9.348 5.772 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.111 8.325 3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.079 7.875 4.463 1.00 0.00 H new ATOM 1220 N GLU A 77 -4.937 11.811 1.946 1.00 0.00 N ATOM 1221 CA GLU A 77 -4.859 12.702 0.801 1.00 0.00 C ATOM 1222 C GLU A 77 -5.340 11.975 -0.462 1.00 0.00 C ATOM 1223 O GLU A 77 -5.950 12.562 -1.347 1.00 0.00 O ATOM 1224 CB GLU A 77 -3.422 13.179 0.632 1.00 0.00 C ATOM 1225 CG GLU A 77 -2.995 14.079 1.791 1.00 0.00 C ATOM 1226 CD GLU A 77 -1.561 14.556 1.572 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -1.319 15.245 0.583 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -0.704 14.231 2.392 1.00 0.00 O ATOM 0 H GLU A 77 -4.133 11.198 2.085 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.503 13.567 0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.756 12.318 0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.325 13.723 -0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.666 14.935 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.067 13.535 2.732 1.00 0.00 H new ATOM 1235 N GLY A 78 -5.014 10.664 -0.486 1.00 0.00 N ATOM 1236 CA GLY A 78 -5.420 9.863 -1.627 1.00 0.00 C ATOM 1237 C GLY A 78 -6.943 9.919 -1.815 1.00 0.00 C ATOM 1238 O GLY A 78 -7.571 10.963 -1.693 1.00 0.00 O ATOM 0 H GLY A 78 -4.496 10.170 0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.924 10.226 -2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.104 8.830 -1.483 1.00 0.00 H new ATOM 1242 N LYS A 79 -7.488 8.722 -2.112 1.00 0.00 N ATOM 1243 CA LYS A 79 -8.923 8.640 -2.299 1.00 0.00 C ATOM 1244 C LYS A 79 -9.494 7.499 -1.452 1.00 0.00 C ATOM 1245 O LYS A 79 -8.776 6.709 -0.853 1.00 0.00 O ATOM 1246 CB LYS A 79 -9.211 8.446 -3.787 1.00 0.00 C ATOM 1247 CG LYS A 79 -10.171 7.290 -4.082 1.00 0.00 C ATOM 1248 CD LYS A 79 -10.207 6.976 -5.577 1.00 0.00 C ATOM 1249 CE LYS A 79 -11.514 6.292 -5.979 1.00 0.00 C ATOM 1250 NZ LYS A 79 -11.676 4.986 -5.352 1.00 0.00 N ATOM 0 H LYS A 79 -6.974 7.847 -2.220 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.407 9.560 -1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.631 9.368 -4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.271 8.269 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.860 6.404 -3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.172 7.547 -3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.089 7.898 -6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.365 6.333 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.354 6.930 -5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.542 6.177 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.515 4.514 -5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.833 4.405 -5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.796 5.106 -4.326 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.839 7.482 -1.451 1.00 0.00 N ATOM 1265 CA LYS A 80 -11.534 6.457 -0.681 1.00 0.00 C ATOM 1266 C LYS A 80 -11.563 5.149 -1.472 1.00 0.00 C ATOM 1267 O LYS A 80 -11.568 5.136 -2.696 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.955 6.926 -0.378 1.00 0.00 C ATOM 1269 CG LYS A 80 -12.978 7.957 0.751 1.00 0.00 C ATOM 1270 CD LYS A 80 -14.401 8.425 1.056 1.00 0.00 C ATOM 1271 CE LYS A 80 -15.322 7.249 1.384 1.00 0.00 C ATOM 1272 NZ LYS A 80 -14.866 6.491 2.543 1.00 0.00 N ATOM 0 H LYS A 80 -11.437 8.138 -1.953 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.009 6.286 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.395 7.359 -1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.571 6.070 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.536 7.524 1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.364 8.814 0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.384 9.120 1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.797 8.970 0.199 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.329 7.621 1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.382 6.586 0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.574 5.769 2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.962 6.028 2.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.736 7.135 3.350 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.580 4.050 -0.687 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.604 2.755 -1.319 1.00 0.00 C ATOM 1288 C PHE A 81 -12.361 1.750 -0.455 1.00 0.00 C ATOM 1289 O PHE A 81 -12.683 1.987 0.705 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.180 2.288 -1.510 1.00 0.00 C ATOM 1291 CG PHE A 81 -9.550 2.960 -2.689 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -9.937 2.601 -4.000 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.562 3.958 -2.504 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -9.345 3.231 -5.117 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -7.969 4.589 -3.622 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.361 4.224 -4.927 1.00 0.00 C ATOM 0 H PHE A 81 -11.577 4.049 0.333 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.111 2.831 -2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.600 2.501 -0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.164 1.207 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -10.690 1.841 -4.149 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.260 4.238 -1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.646 2.953 -6.116 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.216 5.350 -3.477 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.908 4.705 -5.781 1.00 0.00 H new ATOM 1306 N ASP A 82 -12.584 0.597 -1.107 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.299 -0.468 -0.428 1.00 0.00 C ATOM 1308 C ASP A 82 -12.313 -1.283 0.403 1.00 0.00 C ATOM 1309 O ASP A 82 -12.430 -1.394 1.617 1.00 0.00 O ATOM 1310 CB ASP A 82 -13.996 -1.352 -1.459 1.00 0.00 C ATOM 1311 CG ASP A 82 -14.772 -2.463 -0.749 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -15.226 -2.238 0.372 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -14.913 -3.541 -1.324 1.00 0.00 O ATOM 0 H ASP A 82 -12.290 0.393 -2.062 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.055 -0.047 0.235 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.675 -0.753 -2.066 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.260 -1.785 -2.137 1.00 0.00 H new ATOM 1318 N THR A 83 -11.336 -1.844 -0.334 1.00 0.00 N ATOM 1319 CA THR A 83 -10.334 -2.632 0.335 1.00 0.00 C ATOM 1320 C THR A 83 -8.992 -2.306 -0.298 1.00 0.00 C ATOM 1321 O THR A 83 -8.907 -1.621 -1.310 1.00 0.00 O ATOM 1322 CB THR A 83 -10.659 -4.117 0.187 1.00 0.00 C ATOM 1323 OG1 THR A 83 -10.574 -4.480 -1.169 1.00 0.00 O ATOM 1324 CG2 THR A 83 -12.054 -4.447 0.718 1.00 0.00 C ATOM 0 H THR A 83 -11.235 -1.762 -1.346 1.00 0.00 H new ATOM 0 HA THR A 83 -10.306 -2.403 1.400 1.00 0.00 H new ATOM 0 HB THR A 83 -9.935 -4.681 0.776 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.781 -5.433 -1.266 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.248 -5.513 0.595 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.112 -4.187 1.775 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.799 -3.877 0.163 1.00 0.00 H new ATOM 1332 N LEU A 84 -7.958 -2.837 0.356 1.00 0.00 N ATOM 1333 CA LEU A 84 -6.636 -2.607 -0.140 1.00 0.00 C ATOM 1334 C LEU A 84 -6.440 -3.202 -1.531 1.00 0.00 C ATOM 1335 O LEU A 84 -5.410 -3.029 -2.167 1.00 0.00 O ATOM 1336 CB LEU A 84 -5.686 -3.250 0.851 1.00 0.00 C ATOM 1337 CG LEU A 84 -4.629 -2.273 1.318 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -3.986 -1.630 0.108 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -5.240 -1.211 2.232 1.00 0.00 C ATOM 0 H LEU A 84 -8.022 -3.407 1.199 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.451 -1.537 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.248 -3.618 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.207 -4.114 0.390 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.871 -2.806 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.222 -0.924 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.527 -2.400 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.745 -1.103 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.463 -0.519 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.010 -0.663 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.684 -1.693 3.104 1.00 0.00 H new ATOM 1351 N TRP A 85 -7.493 -3.896 -1.949 1.00 0.00 N ATOM 1352 CA TRP A 85 -7.456 -4.510 -3.263 1.00 0.00 C ATOM 1353 C TRP A 85 -7.905 -3.497 -4.296 1.00 0.00 C ATOM 1354 O TRP A 85 -7.478 -3.496 -5.444 1.00 0.00 O ATOM 1355 CB TRP A 85 -8.414 -5.689 -3.277 1.00 0.00 C ATOM 1356 CG TRP A 85 -7.694 -6.931 -3.749 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -6.726 -6.968 -4.751 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -7.878 -8.270 -3.285 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -6.306 -8.255 -4.928 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -6.990 -9.096 -4.044 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -8.700 -8.828 -2.314 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -6.939 -10.465 -3.821 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -8.654 -10.226 -2.079 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -7.773 -11.045 -2.833 1.00 0.00 C ATOM 0 H TRP A 85 -8.351 -4.042 -1.417 1.00 0.00 H new ATOM 0 HA TRP A 85 -6.444 -4.845 -3.491 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.820 -5.851 -2.278 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -9.258 -5.476 -3.933 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -6.364 -6.112 -5.302 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -5.602 -8.557 -5.601 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -9.369 -8.202 -1.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -6.268 -11.085 -4.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -9.290 -10.668 -1.326 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -7.738 -12.109 -2.654 1.00 0.00 H new ATOM 1375 N GLN A 86 -8.792 -2.637 -3.794 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.328 -1.623 -4.671 1.00 0.00 C ATOM 1377 C GLN A 86 -8.402 -0.432 -4.698 1.00 0.00 C ATOM 1378 O GLN A 86 -8.115 0.130 -5.737 1.00 0.00 O ATOM 1379 CB GLN A 86 -10.729 -1.222 -4.219 1.00 0.00 C ATOM 1380 CG GLN A 86 -11.745 -2.330 -4.497 1.00 0.00 C ATOM 1381 CD GLN A 86 -11.724 -2.692 -5.983 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -12.062 -1.895 -6.850 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -11.303 -3.950 -6.211 1.00 0.00 N ATOM 0 H GLN A 86 -9.134 -2.626 -2.833 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.404 -2.022 -5.682 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.718 -0.996 -3.153 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.032 -0.311 -4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.512 -3.209 -3.896 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.743 -2.002 -4.207 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.040 -4.549 -5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.247 -4.304 -7.166 1.00 0.00 H new ATOM 1392 N LEU A 87 -7.938 -0.087 -3.506 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.041 1.044 -3.463 1.00 0.00 C ATOM 1394 C LEU A 87 -5.745 0.715 -4.201 1.00 0.00 C ATOM 1395 O LEU A 87 -5.097 1.587 -4.759 1.00 0.00 O ATOM 1396 CB LEU A 87 -6.771 1.416 -2.007 1.00 0.00 C ATOM 1397 CG LEU A 87 -5.766 2.559 -1.882 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -5.786 3.126 -0.465 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.359 2.075 -2.234 1.00 0.00 C ATOM 0 H LEU A 87 -8.151 -0.540 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.499 1.898 -3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.707 1.703 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.394 0.543 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.049 3.346 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.065 3.940 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.784 3.502 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.523 2.341 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.655 2.902 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.070 1.273 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.348 1.704 -3.259 1.00 0.00 H new ATOM 1411 N VAL A 88 -5.421 -0.589 -4.195 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.220 -0.989 -4.857 1.00 0.00 C ATOM 1413 C VAL A 88 -4.462 -1.144 -6.340 1.00 0.00 C ATOM 1414 O VAL A 88 -3.692 -0.680 -7.157 1.00 0.00 O ATOM 1415 CB VAL A 88 -3.759 -2.314 -4.301 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -2.877 -2.996 -5.329 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.016 -2.111 -2.987 1.00 0.00 C ATOM 0 H VAL A 88 -5.960 -1.335 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.461 -0.224 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.621 -2.948 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.538 -3.955 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.445 -3.158 -6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.014 -2.366 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.691 -3.077 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.146 -1.476 -3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.679 -1.635 -2.264 1.00 0.00 H new ATOM 1427 N GLU A 89 -5.554 -1.862 -6.633 1.00 0.00 N ATOM 1428 CA GLU A 89 -5.824 -2.096 -8.036 1.00 0.00 C ATOM 1429 C GLU A 89 -6.097 -0.790 -8.742 1.00 0.00 C ATOM 1430 O GLU A 89 -5.623 -0.535 -9.842 1.00 0.00 O ATOM 1431 CB GLU A 89 -6.993 -3.030 -8.185 1.00 0.00 C ATOM 1432 CG GLU A 89 -8.276 -2.434 -7.647 1.00 0.00 C ATOM 1433 CD GLU A 89 -9.144 -1.922 -8.799 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -9.742 -2.743 -9.492 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -9.211 -0.709 -8.990 1.00 0.00 O ATOM 0 H GLU A 89 -6.215 -2.261 -5.966 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.948 -2.557 -8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.124 -3.279 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.780 -3.962 -7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.823 -3.184 -7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.047 -1.617 -6.963 1.00 0.00 H new ATOM 1442 N HIS A 90 -6.889 0.020 -8.040 1.00 0.00 N ATOM 1443 CA HIS A 90 -7.221 1.294 -8.642 1.00 0.00 C ATOM 1444 C HIS A 90 -5.951 2.035 -8.952 1.00 0.00 C ATOM 1445 O HIS A 90 -5.682 2.441 -10.068 1.00 0.00 O ATOM 1446 CB HIS A 90 -8.079 2.124 -7.706 1.00 0.00 C ATOM 1447 CG HIS A 90 -8.924 3.079 -8.517 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -9.709 2.702 -9.550 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -9.044 4.472 -8.362 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -10.290 3.822 -10.014 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -9.904 4.903 -9.313 1.00 0.00 N ATOM 0 H HIS A 90 -7.285 -0.169 -7.119 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.785 1.116 -9.558 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.717 1.474 -7.107 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.448 2.679 -7.012 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -9.836 1.755 -9.907 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -8.544 5.082 -7.624 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.980 3.850 -10.845 1.00 0.00 H new ATOM 1459 N TYR A 91 -5.209 2.190 -7.873 1.00 0.00 N ATOM 1460 CA TYR A 91 -3.946 2.881 -8.001 1.00 0.00 C ATOM 1461 C TYR A 91 -3.040 2.130 -8.976 1.00 0.00 C ATOM 1462 O TYR A 91 -2.141 2.703 -9.579 1.00 0.00 O ATOM 1463 CB TYR A 91 -3.297 3.024 -6.640 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.809 4.256 -5.937 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -5.128 4.724 -6.181 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -2.995 4.954 -5.010 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -5.624 5.859 -5.508 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.498 6.095 -4.338 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.809 6.543 -4.587 1.00 0.00 C ATOM 1470 OH TYR A 91 -5.293 7.654 -3.928 1.00 0.00 O ATOM 0 H TYR A 91 -5.446 1.862 -6.937 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.115 3.881 -8.400 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.506 2.141 -6.037 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.214 3.085 -6.752 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.757 4.205 -6.889 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.988 4.615 -4.815 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.630 6.204 -5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.874 6.623 -3.632 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.154 7.916 -4.316 1.00 0.00 H new ATOM 1480 N SER A 92 -3.323 0.815 -9.102 1.00 0.00 N ATOM 1481 CA SER A 92 -2.540 0.049 -10.055 1.00 0.00 C ATOM 1482 C SER A 92 -2.740 0.634 -11.457 1.00 0.00 C ATOM 1483 O SER A 92 -2.016 0.341 -12.400 1.00 0.00 O ATOM 1484 CB SER A 92 -3.031 -1.375 -10.022 1.00 0.00 C ATOM 1485 OG SER A 92 -1.959 -2.283 -10.031 1.00 0.00 O ATOM 0 H SER A 92 -4.040 0.303 -8.588 1.00 0.00 H new ATOM 0 HA SER A 92 -1.480 0.087 -9.803 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.637 -1.533 -9.130 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.675 -1.560 -10.882 1.00 0.00 H new ATOM 0 HG SER A 92 -2.306 -3.199 -10.007 1.00 0.00 H new ATOM 1491 N TYR A 93 -3.782 1.481 -11.505 1.00 0.00 N ATOM 1492 CA TYR A 93 -4.133 2.119 -12.749 1.00 0.00 C ATOM 1493 C TYR A 93 -3.373 3.418 -12.863 1.00 0.00 C ATOM 1494 O TYR A 93 -2.639 3.673 -13.805 1.00 0.00 O ATOM 1495 CB TYR A 93 -5.623 2.437 -12.742 1.00 0.00 C ATOM 1496 CG TYR A 93 -6.471 1.228 -12.460 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -5.939 -0.080 -12.591 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -7.817 1.391 -12.056 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -6.746 -1.209 -12.323 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -8.624 0.262 -11.788 1.00 0.00 C ATOM 1501 CZ TYR A 93 -8.089 -1.037 -11.922 1.00 0.00 C ATOM 1502 OH TYR A 93 -8.876 -2.140 -11.660 1.00 0.00 O ATOM 0 H TYR A 93 -4.372 1.725 -10.710 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.890 1.460 -13.582 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -5.824 3.201 -11.991 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.906 2.857 -13.707 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.912 -0.214 -12.897 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.230 2.383 -11.952 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.336 -2.203 -12.425 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.651 0.394 -11.480 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.612 -1.883 -11.066 1.00 0.00 H new ATOM 1512 N LYS A 94 -3.676 4.230 -11.843 1.00 0.00 N ATOM 1513 CA LYS A 94 -3.081 5.523 -11.745 1.00 0.00 C ATOM 1514 C LYS A 94 -2.527 5.773 -10.363 1.00 0.00 C ATOM 1515 O LYS A 94 -2.592 4.958 -9.452 1.00 0.00 O ATOM 1516 CB LYS A 94 -4.173 6.529 -11.965 1.00 0.00 C ATOM 1517 CG LYS A 94 -5.384 6.215 -11.072 1.00 0.00 C ATOM 1518 CD LYS A 94 -6.559 7.148 -11.359 1.00 0.00 C ATOM 1519 CE LYS A 94 -7.437 6.605 -12.487 1.00 0.00 C ATOM 1520 NZ LYS A 94 -8.499 7.530 -12.860 1.00 0.00 N ATOM 0 H LYS A 94 -4.326 3.997 -11.092 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.273 5.596 -12.473 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.802 7.530 -11.746 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.475 6.523 -13.012 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.694 5.182 -11.230 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.096 6.305 -10.025 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.158 7.271 -10.456 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.185 8.135 -11.630 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.816 6.398 -13.359 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.877 5.657 -12.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.066 7.116 -13.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.109 7.708 -12.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.081 8.426 -13.182 1.00 0.00 H new ATOM 1534 N ALA A 95 -1.994 6.985 -10.300 1.00 0.00 N ATOM 1535 CA ALA A 95 -1.451 7.458 -9.047 1.00 0.00 C ATOM 1536 C ALA A 95 -2.614 7.929 -8.169 1.00 0.00 C ATOM 1537 O ALA A 95 -2.708 7.614 -6.994 1.00 0.00 O ATOM 1538 CB ALA A 95 -0.475 8.603 -9.311 1.00 0.00 C ATOM 0 H ALA A 95 -1.929 7.638 -11.081 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.909 6.661 -8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.067 8.958 -8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.337 8.250 -9.947 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.998 9.419 -9.810 1.00 0.00 H new ATOM 1544 N ASP A 96 -3.511 8.683 -8.835 1.00 0.00 N ATOM 1545 CA ASP A 96 -4.670 9.195 -8.107 1.00 0.00 C ATOM 1546 C ASP A 96 -4.276 10.350 -7.185 1.00 0.00 C ATOM 1547 O ASP A 96 -5.108 11.044 -6.612 1.00 0.00 O ATOM 1548 CB ASP A 96 -5.294 8.074 -7.309 1.00 0.00 C ATOM 1549 CG ASP A 96 -6.742 7.861 -7.751 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -7.496 8.833 -7.777 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -7.099 6.728 -8.065 1.00 0.00 O ATOM 0 H ASP A 96 -3.457 8.936 -9.822 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.394 9.578 -8.826 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.724 7.156 -7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.261 8.311 -6.246 1.00 0.00 H new ATOM 1556 N GLY A 97 -2.960 10.493 -7.094 1.00 0.00 N ATOM 1557 CA GLY A 97 -2.411 11.544 -6.258 1.00 0.00 C ATOM 1558 C GLY A 97 -0.966 11.238 -5.825 1.00 0.00 C ATOM 1559 O GLY A 97 -0.216 12.123 -5.430 1.00 0.00 O ATOM 0 H GLY A 97 -2.273 9.912 -7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.435 12.489 -6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.036 11.668 -5.374 1.00 0.00 H new ATOM 1563 N LEU A 98 -0.633 9.932 -5.921 1.00 0.00 N ATOM 1564 CA LEU A 98 0.703 9.529 -5.538 1.00 0.00 C ATOM 1565 C LEU A 98 1.713 10.396 -6.272 1.00 0.00 C ATOM 1566 O LEU A 98 1.379 11.375 -6.929 1.00 0.00 O ATOM 1567 CB LEU A 98 0.928 8.080 -5.952 1.00 0.00 C ATOM 1568 CG LEU A 98 -0.179 7.174 -5.452 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -0.103 5.811 -6.128 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -0.092 7.045 -3.936 1.00 0.00 C ATOM 0 H LEU A 98 -1.248 9.185 -6.245 1.00 0.00 H new ATOM 0 HA LEU A 98 0.821 9.637 -4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.986 8.017 -7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.885 7.735 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.143 7.613 -5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.906 5.175 -5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.207 5.933 -7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.859 5.348 -5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.890 6.393 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.874 6.620 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.198 8.030 -3.480 1.00 0.00 H new ATOM 1582 N LEU A 99 2.970 9.956 -6.124 1.00 0.00 N ATOM 1583 CA LEU A 99 4.028 10.648 -6.831 1.00 0.00 C ATOM 1584 C LEU A 99 3.950 10.220 -8.303 1.00 0.00 C ATOM 1585 O LEU A 99 4.109 11.012 -9.224 1.00 0.00 O ATOM 1586 CB LEU A 99 5.376 10.270 -6.223 1.00 0.00 C ATOM 1587 CG LEU A 99 6.358 11.441 -6.237 1.00 0.00 C ATOM 1588 CD1 LEU A 99 6.570 11.945 -7.662 1.00 0.00 C ATOM 1589 CD2 LEU A 99 5.854 12.574 -5.341 1.00 0.00 C ATOM 0 H LEU A 99 3.259 9.164 -5.550 1.00 0.00 H new ATOM 0 HA LEU A 99 3.918 11.730 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.229 9.932 -5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.802 9.433 -6.777 1.00 0.00 H new ATOM 0 HG LEU A 99 7.314 11.091 -5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.272 12.779 -7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.972 11.140 -8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.618 12.277 -8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.566 13.399 -5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.886 12.920 -5.702 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.751 12.211 -4.318 1.00 0.00 H new ATOM 1601 N ARG A 100 3.686 8.901 -8.438 1.00 0.00 N ATOM 1602 CA ARG A 100 3.548 8.324 -9.755 1.00 0.00 C ATOM 1603 C ARG A 100 2.720 7.042 -9.631 1.00 0.00 C ATOM 1604 O ARG A 100 2.683 6.399 -8.589 1.00 0.00 O ATOM 1605 CB ARG A 100 4.928 8.010 -10.305 1.00 0.00 C ATOM 1606 CG ARG A 100 4.915 7.839 -11.824 1.00 0.00 C ATOM 1607 CD ARG A 100 5.264 6.408 -12.231 1.00 0.00 C ATOM 1608 NE ARG A 100 5.839 6.388 -13.563 1.00 0.00 N ATOM 1609 CZ ARG A 100 5.017 6.492 -14.624 1.00 0.00 C ATOM 1610 NH1 ARG A 100 3.704 6.605 -14.440 1.00 0.00 N ATOM 1611 NH2 ARG A 100 5.518 6.481 -15.856 1.00 0.00 N ATOM 0 H ARG A 100 3.570 8.248 -7.663 1.00 0.00 H new ATOM 0 HA ARG A 100 3.050 9.017 -10.433 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.616 8.812 -10.037 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.304 7.098 -9.841 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.930 8.098 -12.212 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.627 8.530 -12.275 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.969 5.982 -11.517 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.369 5.787 -12.205 1.00 0.00 H new ATOM 0 HE ARG A 100 6.847 6.297 -13.693 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.320 6.613 -13.495 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.081 6.684 -15.244 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.525 6.394 -15.996 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.896 6.560 -16.660 1.00 0.00 H new ATOM 1625 N VAL A 101 2.062 6.719 -10.754 1.00 0.00 N ATOM 1626 CA VAL A 101 1.248 5.532 -10.773 1.00 0.00 C ATOM 1627 C VAL A 101 2.067 4.336 -10.288 1.00 0.00 C ATOM 1628 O VAL A 101 3.258 4.425 -10.013 1.00 0.00 O ATOM 1629 CB VAL A 101 0.831 5.273 -12.203 1.00 0.00 C ATOM 1630 CG1 VAL A 101 -0.307 4.285 -12.241 1.00 0.00 C ATOM 1631 CG2 VAL A 101 0.435 6.576 -12.904 1.00 0.00 C ATOM 0 H VAL A 101 2.085 7.252 -11.623 1.00 0.00 H new ATOM 0 HA VAL A 101 0.381 5.668 -10.127 1.00 0.00 H new ATOM 0 HB VAL A 101 1.682 4.850 -12.737 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.599 4.106 -13.276 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.010 3.347 -11.786 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.156 4.687 -11.689 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.139 6.361 -13.931 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.400 7.035 -12.374 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.283 7.260 -12.906 1.00 0.00 H new ATOM 1641 N LEU A 102 1.333 3.219 -10.214 1.00 0.00 N ATOM 1642 CA LEU A 102 1.964 1.969 -9.836 1.00 0.00 C ATOM 1643 C LEU A 102 2.154 1.147 -11.093 1.00 0.00 C ATOM 1644 O LEU A 102 1.498 1.341 -12.109 1.00 0.00 O ATOM 1645 CB LEU A 102 1.080 1.204 -8.874 1.00 0.00 C ATOM 1646 CG LEU A 102 1.054 1.818 -7.479 1.00 0.00 C ATOM 1647 CD1 LEU A 102 0.895 3.332 -7.536 1.00 0.00 C ATOM 1648 CD2 LEU A 102 -0.082 1.205 -6.667 1.00 0.00 C ATOM 0 H LEU A 102 0.333 3.163 -10.406 1.00 0.00 H new ATOM 0 HA LEU A 102 2.919 2.168 -9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.065 1.170 -9.270 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.431 0.174 -8.806 1.00 0.00 H new ATOM 0 HG LEU A 102 2.008 1.601 -6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.881 3.735 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.730 3.765 -8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.039 3.581 -8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.097 1.647 -5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.032 1.401 -7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.069 0.129 -6.584 1.00 0.00 H new ATOM 1660 N THR A 103 3.094 0.222 -10.948 1.00 0.00 N ATOM 1661 CA THR A 103 3.397 -0.628 -12.071 1.00 0.00 C ATOM 1662 C THR A 103 3.889 -2.005 -11.595 1.00 0.00 C ATOM 1663 O THR A 103 3.611 -3.032 -12.202 1.00 0.00 O ATOM 1664 CB THR A 103 4.457 0.096 -12.899 1.00 0.00 C ATOM 1665 OG1 THR A 103 3.902 0.502 -14.124 1.00 0.00 O ATOM 1666 CG2 THR A 103 5.683 -0.760 -13.151 1.00 0.00 C ATOM 0 H THR A 103 3.634 0.051 -10.100 1.00 0.00 H new ATOM 0 HA THR A 103 2.509 -0.814 -12.675 1.00 0.00 H new ATOM 0 HB THR A 103 4.782 0.964 -12.325 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.583 0.968 -14.653 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.404 -0.197 -13.744 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.134 -1.038 -12.199 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.393 -1.661 -13.692 1.00 0.00 H new ATOM 1674 N VAL A 104 4.635 -1.951 -10.474 1.00 0.00 N ATOM 1675 CA VAL A 104 5.194 -3.206 -9.944 1.00 0.00 C ATOM 1676 C VAL A 104 5.157 -3.242 -8.420 1.00 0.00 C ATOM 1677 O VAL A 104 5.245 -2.225 -7.761 1.00 0.00 O ATOM 1678 CB VAL A 104 6.669 -3.286 -10.352 1.00 0.00 C ATOM 1679 CG1 VAL A 104 7.326 -4.574 -9.850 1.00 0.00 C ATOM 1680 CG2 VAL A 104 6.839 -3.198 -11.866 1.00 0.00 C ATOM 0 H VAL A 104 4.854 -1.106 -9.946 1.00 0.00 H new ATOM 0 HA VAL A 104 4.601 -4.030 -10.340 1.00 0.00 H new ATOM 0 HB VAL A 104 7.162 -2.432 -9.887 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.371 -4.594 -10.159 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.269 -4.612 -8.762 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.807 -5.435 -10.271 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.898 -3.258 -12.117 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.306 -4.022 -12.340 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.435 -2.251 -12.223 1.00 0.00 H new ATOM 1690 N PRO A 105 5.009 -4.486 -7.890 1.00 0.00 N ATOM 1691 CA PRO A 105 5.074 -4.722 -6.461 1.00 0.00 C ATOM 1692 C PRO A 105 6.520 -4.534 -5.995 1.00 0.00 C ATOM 1693 O PRO A 105 7.455 -5.061 -6.584 1.00 0.00 O ATOM 1694 CB PRO A 105 4.639 -6.167 -6.247 1.00 0.00 C ATOM 1695 CG PRO A 105 4.401 -6.774 -7.642 1.00 0.00 C ATOM 1696 CD PRO A 105 4.667 -5.663 -8.667 1.00 0.00 C ATOM 0 HA PRO A 105 4.438 -4.036 -5.901 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.405 -6.725 -5.709 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.731 -6.212 -5.646 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.064 -7.622 -7.812 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.380 -7.145 -7.732 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.479 -5.937 -9.340 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.788 -5.482 -9.285 1.00 0.00 H new ATOM 1704 N CYS A 106 6.641 -3.755 -4.919 1.00 0.00 N ATOM 1705 CA CYS A 106 7.979 -3.444 -4.454 1.00 0.00 C ATOM 1706 C CYS A 106 8.463 -4.416 -3.385 1.00 0.00 C ATOM 1707 O CYS A 106 9.622 -4.812 -3.362 1.00 0.00 O ATOM 1708 CB CYS A 106 8.004 -2.010 -3.948 1.00 0.00 C ATOM 1709 SG CYS A 106 9.514 -1.133 -4.423 1.00 0.00 S ATOM 0 H CYS A 106 5.873 -3.351 -4.384 1.00 0.00 H new ATOM 0 HA CYS A 106 8.669 -3.550 -5.291 1.00 0.00 H new ATOM 0 HB2 CYS A 106 7.139 -1.475 -4.339 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.914 -2.010 -2.862 1.00 0.00 H new ATOM 0 HG CYS A 106 9.385 0.132 -4.152 1.00 0.00 H new ATOM 1715 N GLN A 107 7.522 -4.771 -2.501 1.00 0.00 N ATOM 1716 CA GLN A 107 7.894 -5.657 -1.440 1.00 0.00 C ATOM 1717 C GLN A 107 8.731 -6.808 -1.958 1.00 0.00 C ATOM 1718 O GLN A 107 8.923 -7.012 -3.151 1.00 0.00 O ATOM 1719 CB GLN A 107 6.646 -6.180 -0.774 1.00 0.00 C ATOM 1720 CG GLN A 107 6.769 -6.094 0.738 1.00 0.00 C ATOM 1721 CD GLN A 107 7.538 -7.298 1.281 1.00 0.00 C ATOM 1722 OE1 GLN A 107 7.517 -8.387 0.722 1.00 0.00 O ATOM 1723 NE2 GLN A 107 8.214 -7.022 2.408 1.00 0.00 N ATOM 0 H GLN A 107 6.549 -4.466 -2.511 1.00 0.00 H new ATOM 0 HA GLN A 107 8.497 -5.107 -0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.782 -5.605 -1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.475 -7.214 -1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.281 -5.173 1.015 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.777 -6.055 1.188 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.177 -6.085 2.808 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.764 -7.750 2.864 1.00 0.00 H new ATOM 1857 N GLU B 3 4.030 11.188 2.303 1.00 0.00 N ATOM 1858 CA GLU B 3 3.976 11.998 1.108 1.00 0.00 C ATOM 1859 C GLU B 3 2.552 12.467 0.894 1.00 0.00 C ATOM 1860 O GLU B 3 1.629 12.061 1.589 1.00 0.00 O ATOM 1861 CB GLU B 3 4.467 11.202 -0.071 1.00 0.00 C ATOM 1862 CG GLU B 3 5.981 11.221 -0.090 1.00 0.00 C ATOM 1863 CD GLU B 3 6.542 10.696 1.233 1.00 0.00 C ATOM 1864 OE1 GLU B 3 6.059 9.678 1.716 1.00 0.00 O ATOM 1865 OE2 GLU B 3 7.461 11.317 1.765 1.00 0.00 O ATOM 0 HA GLU B 3 4.621 12.870 1.217 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.105 10.176 -0.008 1.00 0.00 H new ATOM 0 HB3 GLU B 3 4.075 11.622 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.348 10.610 -0.915 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.335 12.237 -0.264 1.00 0.00 H new ATOM 1872 N THR B 4 2.431 13.345 -0.106 1.00 0.00 N ATOM 1873 CA THR B 4 1.114 13.850 -0.385 1.00 0.00 C ATOM 1874 C THR B 4 0.548 13.200 -1.629 1.00 0.00 C ATOM 1875 O THR B 4 1.114 13.223 -2.715 1.00 0.00 O ATOM 1876 CB THR B 4 1.172 15.362 -0.526 1.00 0.00 C ATOM 1877 OG1 THR B 4 2.204 15.714 -1.417 1.00 0.00 O ATOM 1878 CG2 THR B 4 1.405 16.049 0.817 1.00 0.00 C ATOM 0 H THR B 4 3.187 13.695 -0.695 1.00 0.00 H new ATOM 0 HA THR B 4 0.448 13.604 0.442 1.00 0.00 H new ATOM 0 HB THR B 4 0.209 15.697 -0.912 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.262 15.045 -2.131 1.00 0.00 H new ATOM 0 HG21 THR B 4 1.440 17.129 0.672 1.00 0.00 H new ATOM 0 HG22 THR B 4 0.592 15.800 1.499 1.00 0.00 H new ATOM 0 HG23 THR B 4 2.350 15.709 1.240 1.00 0.00 H new ATOM 1886 N LEU B 5 -0.621 12.618 -1.359 1.00 0.00 N ATOM 1887 CA LEU B 5 -1.325 11.914 -2.382 1.00 0.00 C ATOM 1888 C LEU B 5 -2.304 12.858 -3.080 1.00 0.00 C ATOM 1889 O LEU B 5 -3.517 12.720 -2.982 1.00 0.00 O ATOM 1890 CB LEU B 5 -2.052 10.757 -1.728 1.00 0.00 C ATOM 1891 CG LEU B 5 -1.576 9.473 -2.347 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.852 8.288 -1.454 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -2.263 9.290 -3.670 1.00 0.00 C ATOM 0 H LEU B 5 -1.079 12.630 -0.448 1.00 0.00 H new ATOM 0 HA LEU B 5 -0.639 11.534 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.863 10.751 -0.655 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -3.128 10.864 -1.862 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.496 9.532 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.494 7.378 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.337 8.422 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.925 8.207 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -1.926 8.361 -4.130 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.341 9.249 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -2.021 10.127 -4.325 1.00 0.00 H new