USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 781 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 112 LYS NZ :NH3+ 174:sc=0.000745 (180deg=0) USER MOD Set 1.2: A 113 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 87 THR OG1 : rot 80:sc= -0.17 USER MOD Set 2.2: A 89 LYS NZ :NH3+ -157:sc= 0.865 (180deg=-0.393) USER MOD Set 3.1: A 65 SER OG : rot -134:sc= 1.3 USER MOD Set 3.2: A 74 HIS : no HD1:sc= 0.22 K(o=1.5,f=-9.1!) USER MOD Set 4.1: A 26 HIS : no HE2:sc= -7.9! C(o=-10!,f=-8.7!) USER MOD Set 4.2: A 96 THR OG1 : rot -38:sc= -2.27 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -26:sc= 0.907 USER MOD Single : A 33 MET CE :methyl -146:sc= -8.22! (180deg=-10.8!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 69:sc= 1.04 USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= -0.21 (180deg=-0.265) USER MOD Single : A 68 TYR OH : rot 80:sc= 0.503 USER MOD Single : A 69 ASN : amide:sc= 0.0141 X(o=0.014,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -123:sc= 0.463 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 174:sc= -0.056 (180deg=-0.169) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 90:sc= -1.57 USER MOD Single : A 103 GLN : amide:sc= -0.425 K(o=-0.42,f=-1.9) USER MOD Single : A 104 GLN : amide:sc= 0.565 K(o=0.56,f=0) USER MOD Single : A 105 ASN : amide:sc= -1.33! X(o=-1.3!,f=-0.97) USER MOD Single : A 106 SER OG : rot 131:sc= 0.375 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 CYS SG : rot 90:sc= -2.21! USER MOD Single : A 116 THR OG1 : rot 108:sc= 1.88 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -2.62! C(o=-2.6!,f=-4.1!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 296 N LEU A 23 3.458 -10.876 -9.230 1.00 0.00 N ATOM 297 CA LEU A 23 3.316 -9.593 -8.549 1.00 0.00 C ATOM 298 C LEU A 23 4.237 -8.545 -9.166 1.00 0.00 C ATOM 299 O LEU A 23 4.012 -7.344 -9.021 1.00 0.00 O ATOM 300 CB LEU A 23 3.626 -9.747 -7.059 1.00 0.00 C ATOM 301 CG LEU A 23 2.690 -10.664 -6.271 1.00 0.00 C ATOM 302 CD1 LEU A 23 3.233 -10.904 -4.870 1.00 0.00 C ATOM 303 CD2 LEU A 23 1.290 -10.072 -6.208 1.00 0.00 C ATOM 0 HA LEU A 23 2.285 -9.259 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.643 -10.125 -6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.606 -8.759 -6.600 1.00 0.00 H new ATOM 0 HG LEU A 23 2.634 -11.623 -6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.554 -11.559 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.215 -11.373 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.320 -9.952 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.638 -10.739 -5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.328 -9.100 -5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.899 -9.953 -7.219 1.00 0.00 H new ATOM 315 N SER A 24 5.275 -9.009 -9.856 1.00 0.00 N ATOM 316 CA SER A 24 6.231 -8.112 -10.493 1.00 0.00 C ATOM 317 C SER A 24 5.537 -7.213 -11.512 1.00 0.00 C ATOM 318 O SER A 24 5.962 -6.083 -11.753 1.00 0.00 O ATOM 319 CB SER A 24 7.339 -8.915 -11.176 1.00 0.00 C ATOM 320 OG SER A 24 6.890 -9.463 -12.404 1.00 0.00 O ATOM 0 H SER A 24 5.475 -10.001 -9.988 1.00 0.00 H new ATOM 0 HA SER A 24 6.672 -7.483 -9.720 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.201 -8.272 -11.355 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.671 -9.717 -10.516 1.00 0.00 H new ATOM 0 HG SER A 24 7.617 -9.970 -12.821 1.00 0.00 H new ATOM 326 N VAL A 25 4.465 -7.724 -12.109 1.00 0.00 N ATOM 327 CA VAL A 25 3.710 -6.969 -13.102 1.00 0.00 C ATOM 328 C VAL A 25 3.215 -5.647 -12.527 1.00 0.00 C ATOM 329 O VAL A 25 2.884 -4.720 -13.268 1.00 0.00 O ATOM 330 CB VAL A 25 2.503 -7.774 -13.621 1.00 0.00 C ATOM 331 CG1 VAL A 25 2.948 -9.137 -14.127 1.00 0.00 C ATOM 332 CG2 VAL A 25 1.451 -7.918 -12.531 1.00 0.00 C ATOM 0 H VAL A 25 4.100 -8.658 -11.922 1.00 0.00 H new ATOM 0 HA VAL A 25 4.389 -6.770 -13.931 1.00 0.00 H new ATOM 0 HB VAL A 25 2.058 -7.231 -14.455 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.082 -9.691 -14.489 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.662 -9.008 -14.940 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.419 -9.691 -13.315 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.606 -8.489 -12.915 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.882 -8.438 -11.676 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.111 -6.930 -12.221 1.00 0.00 H new ATOM 342 N HIS A 26 3.167 -5.565 -11.201 1.00 0.00 N ATOM 343 CA HIS A 26 2.714 -4.354 -10.525 1.00 0.00 C ATOM 344 C HIS A 26 3.828 -3.313 -10.470 1.00 0.00 C ATOM 345 O HIS A 26 4.990 -3.617 -10.746 1.00 0.00 O ATOM 346 CB HIS A 26 2.237 -4.683 -9.111 1.00 0.00 C ATOM 347 CG HIS A 26 1.301 -5.851 -9.051 1.00 0.00 C ATOM 348 ND1 HIS A 26 0.179 -5.958 -9.846 1.00 0.00 N ATOM 349 CD2 HIS A 26 1.325 -6.966 -8.285 1.00 0.00 C ATOM 350 CE1 HIS A 26 -0.446 -7.089 -9.570 1.00 0.00 C ATOM 351 NE2 HIS A 26 0.229 -7.720 -8.627 1.00 0.00 N ATOM 0 H HIS A 26 3.436 -6.323 -10.573 1.00 0.00 H new ATOM 0 HA HIS A 26 1.882 -3.939 -11.094 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.104 -4.890 -8.483 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.741 -3.808 -8.691 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -0.121 -5.272 -10.538 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.068 -7.217 -7.542 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.355 -7.438 -10.037 1.00 0.00 H new ATOM 359 N LEU A 27 3.467 -2.086 -10.113 1.00 0.00 N ATOM 360 CA LEU A 27 4.436 -0.999 -10.022 1.00 0.00 C ATOM 361 C LEU A 27 4.978 -0.870 -8.603 1.00 0.00 C ATOM 362 O LEU A 27 6.138 -0.509 -8.401 1.00 0.00 O ATOM 363 CB LEU A 27 3.795 0.320 -10.457 1.00 0.00 C ATOM 364 CG LEU A 27 3.625 0.519 -11.964 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.884 1.816 -12.250 1.00 0.00 C ATOM 366 CD2 LEU A 27 4.978 0.511 -12.659 1.00 0.00 C ATOM 0 H LEU A 27 2.510 -1.818 -9.882 1.00 0.00 H new ATOM 0 HA LEU A 27 5.267 -1.230 -10.689 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.814 0.396 -9.988 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.399 1.140 -10.068 1.00 0.00 H new ATOM 0 HG LEU A 27 3.033 -0.308 -12.356 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.772 1.941 -13.327 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.899 1.783 -11.784 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.449 2.655 -11.844 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.838 0.654 -13.730 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.595 1.318 -12.263 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.472 -0.444 -12.482 1.00 0.00 H new ATOM 378 N TRP A 28 4.133 -1.170 -7.623 1.00 0.00 N ATOM 379 CA TRP A 28 4.529 -1.090 -6.221 1.00 0.00 C ATOM 380 C TRP A 28 5.260 -2.356 -5.789 1.00 0.00 C ATOM 381 O TRP A 28 5.398 -2.628 -4.596 1.00 0.00 O ATOM 382 CB TRP A 28 3.302 -0.867 -5.336 1.00 0.00 C ATOM 383 CG TRP A 28 2.080 -1.586 -5.822 1.00 0.00 C ATOM 384 CD1 TRP A 28 1.006 -1.036 -6.461 1.00 0.00 C ATOM 385 CD2 TRP A 28 1.807 -2.986 -5.707 1.00 0.00 C ATOM 386 NE1 TRP A 28 0.081 -2.010 -6.750 1.00 0.00 N ATOM 387 CE2 TRP A 28 0.549 -3.216 -6.298 1.00 0.00 C ATOM 388 CE3 TRP A 28 2.503 -4.070 -5.163 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -0.025 -4.483 -6.359 1.00 0.00 C ATOM 390 CZ3 TRP A 28 1.932 -5.326 -5.224 1.00 0.00 C ATOM 391 CH2 TRP A 28 0.679 -5.525 -5.819 1.00 0.00 C ATOM 0 H TRP A 28 3.170 -1.471 -7.773 1.00 0.00 H new ATOM 0 HA TRP A 28 5.208 -0.245 -6.108 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.529 -1.197 -4.322 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.090 0.201 -5.284 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.899 0.011 -6.704 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.810 -1.860 -7.224 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.470 -3.928 -4.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.991 -4.638 -6.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.461 -6.170 -4.806 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.261 -6.520 -5.852 1.00 0.00 H new ATOM 402 N TYR A 29 5.727 -3.127 -6.765 1.00 0.00 N ATOM 403 CA TYR A 29 6.443 -4.366 -6.484 1.00 0.00 C ATOM 404 C TYR A 29 7.925 -4.226 -6.817 1.00 0.00 C ATOM 405 O TYR A 29 8.331 -4.380 -7.968 1.00 0.00 O ATOM 406 CB TYR A 29 5.836 -5.522 -7.282 1.00 0.00 C ATOM 407 CG TYR A 29 6.101 -6.881 -6.674 1.00 0.00 C ATOM 408 CD1 TYR A 29 5.351 -7.340 -5.598 1.00 0.00 C ATOM 409 CD2 TYR A 29 7.100 -7.705 -7.176 1.00 0.00 C ATOM 410 CE1 TYR A 29 5.589 -8.581 -5.040 1.00 0.00 C ATOM 411 CE2 TYR A 29 7.345 -8.948 -6.624 1.00 0.00 C ATOM 412 CZ TYR A 29 6.587 -9.381 -5.556 1.00 0.00 C ATOM 413 OH TYR A 29 6.828 -10.618 -5.003 1.00 0.00 O ATOM 0 H TYR A 29 5.623 -2.916 -7.757 1.00 0.00 H new ATOM 0 HA TYR A 29 6.347 -4.578 -5.419 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.759 -5.372 -7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.236 -5.502 -8.296 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.569 -6.716 -5.191 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.695 -7.369 -8.012 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.997 -8.923 -4.204 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.125 -9.577 -7.026 1.00 0.00 H new ATOM 0 HH TYR A 29 6.543 -10.618 -4.065 1.00 0.00 H new ATOM 423 N ALA A 30 8.728 -3.934 -5.799 1.00 0.00 N ATOM 424 CA ALA A 30 10.166 -3.776 -5.981 1.00 0.00 C ATOM 425 C ALA A 30 10.913 -5.042 -5.577 1.00 0.00 C ATOM 426 O ALA A 30 12.054 -4.983 -5.121 1.00 0.00 O ATOM 427 CB ALA A 30 10.671 -2.584 -5.182 1.00 0.00 C ATOM 0 H ALA A 30 8.407 -3.802 -4.840 1.00 0.00 H new ATOM 0 HA ALA A 30 10.356 -3.596 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.746 -2.478 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.168 -1.679 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.461 -2.740 -4.124 1.00 0.00 H new ATOM 433 N GLY A 31 10.261 -6.189 -5.746 1.00 0.00 N ATOM 434 CA GLY A 31 10.879 -7.453 -5.393 1.00 0.00 C ATOM 435 C GLY A 31 11.696 -7.363 -4.120 1.00 0.00 C ATOM 436 O GLY A 31 11.347 -6.647 -3.182 1.00 0.00 O ATOM 0 H GLY A 31 9.316 -6.265 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.105 -8.211 -5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.521 -7.781 -6.211 1.00 0.00 H new ATOM 440 N PRO A 32 12.813 -8.105 -4.076 1.00 0.00 N ATOM 441 CA PRO A 32 13.705 -8.124 -2.913 1.00 0.00 C ATOM 442 C PRO A 32 14.455 -6.808 -2.736 1.00 0.00 C ATOM 443 O PRO A 32 15.567 -6.645 -3.237 1.00 0.00 O ATOM 444 CB PRO A 32 14.682 -9.257 -3.233 1.00 0.00 C ATOM 445 CG PRO A 32 14.682 -9.348 -4.720 1.00 0.00 C ATOM 446 CD PRO A 32 13.291 -8.982 -5.157 1.00 0.00 C ATOM 0 HA PRO A 32 13.157 -8.266 -1.982 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.679 -9.040 -2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.363 -10.195 -2.779 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.418 -8.670 -5.152 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.943 -10.354 -5.049 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.294 -8.469 -6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.660 -9.864 -5.268 1.00 0.00 H new ATOM 454 N MET A 33 13.839 -5.872 -2.021 1.00 0.00 N ATOM 455 CA MET A 33 14.450 -4.571 -1.777 1.00 0.00 C ATOM 456 C MET A 33 14.725 -4.369 -0.290 1.00 0.00 C ATOM 457 O MET A 33 13.948 -4.805 0.558 1.00 0.00 O ATOM 458 CB MET A 33 13.544 -3.453 -2.296 1.00 0.00 C ATOM 459 CG MET A 33 14.095 -2.059 -2.045 1.00 0.00 C ATOM 460 SD MET A 33 12.796 -0.831 -1.807 1.00 0.00 S ATOM 461 CE MET A 33 12.150 -0.694 -3.472 1.00 0.00 C ATOM 0 H MET A 33 12.917 -5.991 -1.601 1.00 0.00 H new ATOM 0 HA MET A 33 15.399 -4.538 -2.312 1.00 0.00 H new ATOM 0 HB2 MET A 33 13.392 -3.587 -3.367 1.00 0.00 H new ATOM 0 HB3 MET A 33 12.566 -3.539 -1.822 1.00 0.00 H new ATOM 0 HG2 MET A 33 14.736 -2.079 -1.164 1.00 0.00 H new ATOM 0 HG3 MET A 33 14.720 -1.762 -2.887 1.00 0.00 H new ATOM 0 HE1 MET A 33 11.829 0.332 -3.655 1.00 0.00 H new ATOM 0 HE2 MET A 33 12.927 -0.964 -4.187 1.00 0.00 H new ATOM 0 HE3 MET A 33 11.300 -1.366 -3.589 1.00 0.00 H new ATOM 471 N GLU A 34 15.836 -3.707 0.017 1.00 0.00 N ATOM 472 CA GLU A 34 16.213 -3.450 1.402 1.00 0.00 C ATOM 473 C GLU A 34 15.625 -2.128 1.889 1.00 0.00 C ATOM 474 O GLU A 34 15.273 -1.261 1.089 1.00 0.00 O ATOM 475 CB GLU A 34 17.736 -3.426 1.544 1.00 0.00 C ATOM 476 CG GLU A 34 18.404 -4.731 1.147 1.00 0.00 C ATOM 477 CD GLU A 34 19.813 -4.855 1.694 1.00 0.00 C ATOM 478 OE1 GLU A 34 20.097 -4.244 2.746 1.00 0.00 O ATOM 479 OE2 GLU A 34 20.632 -5.562 1.070 1.00 0.00 O ATOM 0 H GLU A 34 16.490 -3.339 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 34 15.811 -4.256 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.137 -2.620 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.993 -3.196 2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.804 -5.566 1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.433 -4.804 0.060 1.00 0.00 H new ATOM 486 N ARG A 35 15.522 -1.983 3.206 1.00 0.00 N ATOM 487 CA ARG A 35 14.976 -0.769 3.801 1.00 0.00 C ATOM 488 C ARG A 35 15.604 0.473 3.175 1.00 0.00 C ATOM 489 O ARG A 35 14.901 1.367 2.705 1.00 0.00 O ATOM 490 CB ARG A 35 15.211 -0.765 5.312 1.00 0.00 C ATOM 491 CG ARG A 35 14.491 0.360 6.038 1.00 0.00 C ATOM 492 CD ARG A 35 14.809 0.357 7.525 1.00 0.00 C ATOM 493 NE ARG A 35 16.171 0.810 7.794 1.00 0.00 N ATOM 494 CZ ARG A 35 16.562 1.308 8.962 1.00 0.00 C ATOM 495 NH1 ARG A 35 15.699 1.415 9.964 1.00 0.00 N ATOM 496 NH2 ARG A 35 17.819 1.699 9.131 1.00 0.00 N ATOM 0 H ARG A 35 15.810 -2.691 3.881 1.00 0.00 H new ATOM 0 HA ARG A 35 13.904 -0.751 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.884 -1.720 5.724 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.281 -0.684 5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 35 14.780 1.318 5.605 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.415 0.257 5.895 1.00 0.00 H new ATOM 0 HD2 ARG A 35 14.103 1.002 8.048 1.00 0.00 H new ATOM 0 HD3 ARG A 35 14.677 -0.649 7.922 1.00 0.00 H new ATOM 0 HE ARG A 35 16.859 0.740 7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 35 14.732 1.115 9.839 1.00 0.00 H new ATOM 0 HH12 ARG A 35 16.002 1.798 10.860 1.00 0.00 H new ATOM 0 HH21 ARG A 35 18.486 1.617 8.364 1.00 0.00 H new ATOM 0 HH22 ARG A 35 18.118 2.081 10.028 1.00 0.00 H new ATOM 510 N ALA A 36 16.932 0.522 3.173 1.00 0.00 N ATOM 511 CA ALA A 36 17.655 1.652 2.604 1.00 0.00 C ATOM 512 C ALA A 36 17.082 2.043 1.246 1.00 0.00 C ATOM 513 O ALA A 36 16.681 3.187 1.037 1.00 0.00 O ATOM 514 CB ALA A 36 19.135 1.324 2.480 1.00 0.00 C ATOM 0 H ALA A 36 17.529 -0.209 3.560 1.00 0.00 H new ATOM 0 HA ALA A 36 17.538 2.502 3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 36 19.662 2.177 2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 36 19.542 1.102 3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 36 19.263 0.457 1.831 1.00 0.00 H new ATOM 520 N GLY A 37 17.047 1.084 0.326 1.00 0.00 N ATOM 521 CA GLY A 37 16.522 1.348 -1.001 1.00 0.00 C ATOM 522 C GLY A 37 15.191 2.072 -0.964 1.00 0.00 C ATOM 523 O GLY A 37 15.015 3.097 -1.623 1.00 0.00 O ATOM 0 H GLY A 37 17.373 0.129 0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 37 17.242 1.945 -1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.405 0.406 -1.536 1.00 0.00 H new ATOM 527 N ALA A 38 14.249 1.538 -0.193 1.00 0.00 N ATOM 528 CA ALA A 38 12.927 2.140 -0.073 1.00 0.00 C ATOM 529 C ALA A 38 13.011 3.527 0.557 1.00 0.00 C ATOM 530 O ALA A 38 12.278 4.437 0.174 1.00 0.00 O ATOM 531 CB ALA A 38 12.010 1.242 0.744 1.00 0.00 C ATOM 0 H ALA A 38 14.377 0.689 0.358 1.00 0.00 H new ATOM 0 HA ALA A 38 12.512 2.249 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.026 1.704 0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.916 0.274 0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.429 1.104 1.741 1.00 0.00 H new ATOM 537 N GLU A 39 13.909 3.678 1.526 1.00 0.00 N ATOM 538 CA GLU A 39 14.086 4.954 2.209 1.00 0.00 C ATOM 539 C GLU A 39 14.777 5.967 1.301 1.00 0.00 C ATOM 540 O GLU A 39 14.595 7.175 1.448 1.00 0.00 O ATOM 541 CB GLU A 39 14.900 4.763 3.491 1.00 0.00 C ATOM 542 CG GLU A 39 14.218 3.875 4.518 1.00 0.00 C ATOM 543 CD GLU A 39 14.763 4.077 5.918 1.00 0.00 C ATOM 544 OE1 GLU A 39 15.954 3.775 6.141 1.00 0.00 O ATOM 545 OE2 GLU A 39 13.999 4.539 6.791 1.00 0.00 O ATOM 0 H GLU A 39 14.524 2.934 1.855 1.00 0.00 H new ATOM 0 HA GLU A 39 13.099 5.338 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.868 4.332 3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.093 5.738 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.147 4.080 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.343 2.831 4.231 1.00 0.00 H new ATOM 552 N SER A 40 15.572 5.464 0.362 1.00 0.00 N ATOM 553 CA SER A 40 16.295 6.324 -0.568 1.00 0.00 C ATOM 554 C SER A 40 15.484 6.552 -1.840 1.00 0.00 C ATOM 555 O SER A 40 15.679 7.543 -2.544 1.00 0.00 O ATOM 556 CB SER A 40 17.651 5.707 -0.918 1.00 0.00 C ATOM 557 OG SER A 40 18.645 6.098 0.013 1.00 0.00 O ATOM 0 H SER A 40 15.732 4.466 0.225 1.00 0.00 H new ATOM 0 HA SER A 40 16.456 7.287 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 40 17.567 4.620 -0.930 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.946 6.015 -1.921 1.00 0.00 H new ATOM 0 HG SER A 40 19.501 5.689 -0.232 1.00 0.00 H new ATOM 563 N ILE A 41 14.573 5.628 -2.127 1.00 0.00 N ATOM 564 CA ILE A 41 13.731 5.728 -3.312 1.00 0.00 C ATOM 565 C ILE A 41 12.583 6.707 -3.090 1.00 0.00 C ATOM 566 O ILE A 41 12.435 7.684 -3.825 1.00 0.00 O ATOM 567 CB ILE A 41 13.153 4.357 -3.709 1.00 0.00 C ATOM 568 CG1 ILE A 41 14.257 3.454 -4.263 1.00 0.00 C ATOM 569 CG2 ILE A 41 12.038 4.528 -4.731 1.00 0.00 C ATOM 570 CD1 ILE A 41 13.967 1.978 -4.103 1.00 0.00 C ATOM 0 H ILE A 41 14.399 4.802 -1.555 1.00 0.00 H new ATOM 0 HA ILE A 41 14.365 6.093 -4.120 1.00 0.00 H new ATOM 0 HB ILE A 41 12.735 3.884 -2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.400 3.675 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.194 3.689 -3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.640 3.550 -5.002 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.243 5.138 -4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.432 5.018 -5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.792 1.398 -4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.853 1.742 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.047 1.729 -4.631 1.00 0.00 H new ATOM 582 N LEU A 42 11.774 6.439 -2.072 1.00 0.00 N ATOM 583 CA LEU A 42 10.639 7.298 -1.751 1.00 0.00 C ATOM 584 C LEU A 42 11.107 8.612 -1.134 1.00 0.00 C ATOM 585 O LEU A 42 10.324 9.546 -0.971 1.00 0.00 O ATOM 586 CB LEU A 42 9.688 6.581 -0.790 1.00 0.00 C ATOM 587 CG LEU A 42 9.285 5.159 -1.181 1.00 0.00 C ATOM 588 CD1 LEU A 42 8.444 4.522 -0.086 1.00 0.00 C ATOM 589 CD2 LEU A 42 8.529 5.163 -2.502 1.00 0.00 C ATOM 0 H LEU A 42 11.882 5.634 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 42 10.111 7.521 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.155 6.547 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.783 7.180 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 42 10.191 4.567 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.167 3.510 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.019 4.484 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.542 5.114 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.250 4.143 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.630 5.771 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.165 5.578 -3.284 1.00 0.00 H new ATOM 601 N ALA A 43 12.391 8.676 -0.796 1.00 0.00 N ATOM 602 CA ALA A 43 12.965 9.877 -0.202 1.00 0.00 C ATOM 603 C ALA A 43 12.646 11.111 -1.040 1.00 0.00 C ATOM 604 O ALA A 43 12.097 12.090 -0.536 1.00 0.00 O ATOM 605 CB ALA A 43 14.470 9.720 -0.042 1.00 0.00 C ATOM 0 H ALA A 43 13.053 7.910 -0.923 1.00 0.00 H new ATOM 0 HA ALA A 43 12.518 10.014 0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.885 10.625 0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.680 8.868 0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.924 9.555 -1.019 1.00 0.00 H new ATOM 611 N ASN A 44 12.994 11.056 -2.321 1.00 0.00 N ATOM 612 CA ASN A 44 12.746 12.170 -3.229 1.00 0.00 C ATOM 613 C ASN A 44 11.304 12.154 -3.728 1.00 0.00 C ATOM 614 O ASN A 44 10.711 13.204 -3.977 1.00 0.00 O ATOM 615 CB ASN A 44 13.709 12.112 -4.416 1.00 0.00 C ATOM 616 CG ASN A 44 15.159 12.243 -3.991 1.00 0.00 C ATOM 617 OD1 ASN A 44 15.543 13.219 -3.348 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.972 11.256 -4.350 1.00 0.00 N ATOM 0 H ASN A 44 13.449 10.252 -2.754 1.00 0.00 H new ATOM 0 HA ASN A 44 12.912 13.097 -2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.572 11.169 -4.946 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.465 12.910 -5.117 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.958 11.289 -4.092 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.610 10.465 -4.883 1.00 0.00 H new ATOM 625 N ARG A 45 10.747 10.956 -3.872 1.00 0.00 N ATOM 626 CA ARG A 45 9.375 10.803 -4.342 1.00 0.00 C ATOM 627 C ARG A 45 8.444 11.777 -3.627 1.00 0.00 C ATOM 628 O ARG A 45 8.823 12.400 -2.635 1.00 0.00 O ATOM 629 CB ARG A 45 8.896 9.367 -4.122 1.00 0.00 C ATOM 630 CG ARG A 45 9.633 8.342 -4.969 1.00 0.00 C ATOM 631 CD ARG A 45 9.142 8.352 -6.408 1.00 0.00 C ATOM 632 NE ARG A 45 9.811 9.374 -7.208 1.00 0.00 N ATOM 633 CZ ARG A 45 10.991 9.196 -7.790 1.00 0.00 C ATOM 634 NH1 ARG A 45 11.629 8.041 -7.663 1.00 0.00 N ATOM 635 NH2 ARG A 45 11.535 10.175 -8.502 1.00 0.00 N ATOM 0 H ARG A 45 11.224 10.077 -3.670 1.00 0.00 H new ATOM 0 HA ARG A 45 9.355 11.026 -5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.016 9.110 -3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.830 9.310 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.702 8.551 -4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.494 7.348 -4.543 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.312 7.373 -6.856 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.066 8.527 -6.423 1.00 0.00 H new ATOM 0 HE ARG A 45 9.346 10.274 -7.326 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.214 7.286 -7.117 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.535 7.907 -8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.047 11.065 -8.602 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.442 10.038 -8.949 1.00 0.00 H new ATOM 649 N SER A 46 7.223 11.902 -4.137 1.00 0.00 N ATOM 650 CA SER A 46 6.238 12.803 -3.549 1.00 0.00 C ATOM 651 C SER A 46 5.467 12.111 -2.430 1.00 0.00 C ATOM 652 O SER A 46 5.005 10.980 -2.587 1.00 0.00 O ATOM 653 CB SER A 46 5.266 13.300 -4.622 1.00 0.00 C ATOM 654 OG SER A 46 5.714 14.518 -5.191 1.00 0.00 O ATOM 0 H SER A 46 6.892 11.391 -4.956 1.00 0.00 H new ATOM 0 HA SER A 46 6.769 13.656 -3.126 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.164 12.546 -5.403 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.278 13.441 -4.185 1.00 0.00 H new ATOM 0 HG SER A 46 5.077 14.814 -5.875 1.00 0.00 H new ATOM 660 N ASP A 47 5.333 12.797 -1.300 1.00 0.00 N ATOM 661 CA ASP A 47 4.617 12.249 -0.153 1.00 0.00 C ATOM 662 C ASP A 47 3.401 11.447 -0.605 1.00 0.00 C ATOM 663 O ASP A 47 2.517 11.969 -1.283 1.00 0.00 O ATOM 664 CB ASP A 47 4.182 13.373 0.788 1.00 0.00 C ATOM 665 CG ASP A 47 3.061 14.212 0.208 1.00 0.00 C ATOM 666 OD1 ASP A 47 3.360 15.165 -0.542 1.00 0.00 O ATOM 667 OD2 ASP A 47 1.884 13.917 0.504 1.00 0.00 O ATOM 0 H ASP A 47 5.711 13.733 -1.154 1.00 0.00 H new ATOM 0 HA ASP A 47 5.292 11.581 0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.858 12.944 1.736 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.037 14.014 1.004 1.00 0.00 H new ATOM 672 N GLY A 48 3.363 10.174 -0.223 1.00 0.00 N ATOM 673 CA GLY A 48 2.251 9.320 -0.598 1.00 0.00 C ATOM 674 C GLY A 48 2.682 8.156 -1.468 1.00 0.00 C ATOM 675 O GLY A 48 1.971 7.155 -1.577 1.00 0.00 O ATOM 0 H GLY A 48 4.082 9.719 0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.770 8.938 0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.506 9.911 -1.130 1.00 0.00 H new ATOM 679 N THR A 49 3.849 8.284 -2.090 1.00 0.00 N ATOM 680 CA THR A 49 4.373 7.236 -2.957 1.00 0.00 C ATOM 681 C THR A 49 4.685 5.972 -2.164 1.00 0.00 C ATOM 682 O THR A 49 5.726 5.876 -1.514 1.00 0.00 O ATOM 683 CB THR A 49 5.647 7.696 -3.689 1.00 0.00 C ATOM 684 OG1 THR A 49 5.409 8.944 -4.351 1.00 0.00 O ATOM 685 CG2 THR A 49 6.095 6.655 -4.704 1.00 0.00 C ATOM 0 H THR A 49 4.450 9.104 -2.010 1.00 0.00 H new ATOM 0 HA THR A 49 3.599 7.019 -3.693 1.00 0.00 H new ATOM 0 HB THR A 49 6.438 7.823 -2.950 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.299 9.653 -3.683 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.997 7.003 -5.208 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.304 5.715 -4.193 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.305 6.500 -5.439 1.00 0.00 H new ATOM 693 N PHE A 50 3.777 5.003 -2.222 1.00 0.00 N ATOM 694 CA PHE A 50 3.955 3.744 -1.509 1.00 0.00 C ATOM 695 C PHE A 50 4.750 2.750 -2.351 1.00 0.00 C ATOM 696 O PHE A 50 4.721 2.798 -3.581 1.00 0.00 O ATOM 697 CB PHE A 50 2.596 3.145 -1.140 1.00 0.00 C ATOM 698 CG PHE A 50 1.853 2.576 -2.315 1.00 0.00 C ATOM 699 CD1 PHE A 50 1.183 3.409 -3.197 1.00 0.00 C ATOM 700 CD2 PHE A 50 1.825 1.209 -2.538 1.00 0.00 C ATOM 701 CE1 PHE A 50 0.498 2.888 -4.279 1.00 0.00 C ATOM 702 CE2 PHE A 50 1.142 0.682 -3.618 1.00 0.00 C ATOM 703 CZ PHE A 50 0.478 1.523 -4.490 1.00 0.00 C ATOM 0 H PHE A 50 2.910 5.066 -2.756 1.00 0.00 H new ATOM 0 HA PHE A 50 4.514 3.949 -0.596 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.743 2.360 -0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.984 3.915 -0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.196 4.477 -3.037 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.343 0.547 -1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.021 3.548 -4.959 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.127 -0.386 -3.780 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.056 1.114 -5.335 1.00 0.00 H new ATOM 713 N LEU A 51 5.459 1.850 -1.679 1.00 0.00 N ATOM 714 CA LEU A 51 6.264 0.844 -2.364 1.00 0.00 C ATOM 715 C LEU A 51 6.346 -0.439 -1.542 1.00 0.00 C ATOM 716 O LEU A 51 6.656 -0.406 -0.351 1.00 0.00 O ATOM 717 CB LEU A 51 7.670 1.383 -2.632 1.00 0.00 C ATOM 718 CG LEU A 51 8.724 1.065 -1.571 1.00 0.00 C ATOM 719 CD1 LEU A 51 9.080 -0.414 -1.598 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.967 1.918 -1.782 1.00 0.00 C ATOM 0 H LEU A 51 5.493 1.796 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 51 5.783 0.614 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.014 0.986 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.608 2.466 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 51 8.308 1.300 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.831 -0.621 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.187 -1.007 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.477 -0.675 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.707 1.679 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.385 1.715 -2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.701 2.973 -1.711 1.00 0.00 H new ATOM 732 N VAL A 52 6.070 -1.568 -2.187 1.00 0.00 N ATOM 733 CA VAL A 52 6.117 -2.862 -1.517 1.00 0.00 C ATOM 734 C VAL A 52 7.437 -3.574 -1.787 1.00 0.00 C ATOM 735 O VAL A 52 7.882 -3.665 -2.932 1.00 0.00 O ATOM 736 CB VAL A 52 4.956 -3.769 -1.967 1.00 0.00 C ATOM 737 CG1 VAL A 52 4.878 -5.011 -1.092 1.00 0.00 C ATOM 738 CG2 VAL A 52 3.641 -3.004 -1.939 1.00 0.00 C ATOM 0 H VAL A 52 5.812 -1.613 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 52 6.025 -2.668 -0.448 1.00 0.00 H new ATOM 0 HB VAL A 52 5.143 -4.088 -2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.052 -5.639 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.812 -5.569 -1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.714 -4.716 -0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.832 -3.660 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.445 -2.655 -0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.703 -2.149 -2.612 1.00 0.00 H new ATOM 748 N ARG A 53 8.060 -4.077 -0.727 1.00 0.00 N ATOM 749 CA ARG A 53 9.331 -4.781 -0.850 1.00 0.00 C ATOM 750 C ARG A 53 9.331 -6.054 -0.008 1.00 0.00 C ATOM 751 O ARG A 53 8.503 -6.217 0.888 1.00 0.00 O ATOM 752 CB ARG A 53 10.485 -3.873 -0.420 1.00 0.00 C ATOM 753 CG ARG A 53 10.337 -3.327 0.991 1.00 0.00 C ATOM 754 CD ARG A 53 11.208 -2.099 1.207 1.00 0.00 C ATOM 755 NE ARG A 53 11.194 -1.656 2.598 1.00 0.00 N ATOM 756 CZ ARG A 53 11.906 -2.233 3.560 1.00 0.00 C ATOM 757 NH1 ARG A 53 12.685 -3.270 3.282 1.00 0.00 N ATOM 758 NH2 ARG A 53 11.841 -1.772 4.803 1.00 0.00 N ATOM 0 H ARG A 53 7.705 -4.010 0.227 1.00 0.00 H new ATOM 0 HA ARG A 53 9.465 -5.057 -1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.419 -4.430 -0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.559 -3.039 -1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.294 -3.072 1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.609 -4.099 1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.232 -2.324 0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.859 -1.290 0.565 1.00 0.00 H new ATOM 0 HE ARG A 53 10.606 -0.860 2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.739 -3.626 2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.231 -3.711 4.022 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.244 -0.974 5.020 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.388 -2.216 5.541 1.00 0.00 H new ATOM 898 N PHE A 62 6.591 -9.859 3.357 1.00 0.00 N ATOM 899 CA PHE A 62 6.514 -8.620 2.592 1.00 0.00 C ATOM 900 C PHE A 62 6.282 -7.426 3.514 1.00 0.00 C ATOM 901 O PHE A 62 5.926 -7.588 4.680 1.00 0.00 O ATOM 902 CB PHE A 62 5.393 -8.704 1.555 1.00 0.00 C ATOM 903 CG PHE A 62 5.736 -9.559 0.369 1.00 0.00 C ATOM 904 CD1 PHE A 62 5.770 -10.939 0.480 1.00 0.00 C ATOM 905 CD2 PHE A 62 6.024 -8.982 -0.857 1.00 0.00 C ATOM 906 CE1 PHE A 62 6.087 -11.728 -0.610 1.00 0.00 C ATOM 907 CE2 PHE A 62 6.341 -9.765 -1.951 1.00 0.00 C ATOM 908 CZ PHE A 62 6.371 -11.140 -1.827 1.00 0.00 C ATOM 0 HA PHE A 62 7.465 -8.480 2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.497 -9.101 2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.152 -7.698 1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.546 -11.404 1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.001 -7.907 -0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.113 -12.803 -0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.565 -9.302 -2.901 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.616 -11.755 -2.680 1.00 0.00 H new ATOM 918 N ALA A 63 6.487 -6.226 2.980 1.00 0.00 N ATOM 919 CA ALA A 63 6.298 -5.004 3.753 1.00 0.00 C ATOM 920 C ALA A 63 5.996 -3.819 2.842 1.00 0.00 C ATOM 921 O ALA A 63 6.537 -3.718 1.740 1.00 0.00 O ATOM 922 CB ALA A 63 7.530 -4.720 4.600 1.00 0.00 C ATOM 0 H ALA A 63 6.784 -6.074 2.016 1.00 0.00 H new ATOM 0 HA ALA A 63 5.442 -5.149 4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.375 -3.805 5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.701 -5.551 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.398 -4.600 3.951 1.00 0.00 H new ATOM 928 N ILE A 64 5.129 -2.927 3.308 1.00 0.00 N ATOM 929 CA ILE A 64 4.756 -1.749 2.534 1.00 0.00 C ATOM 930 C ILE A 64 5.387 -0.488 3.114 1.00 0.00 C ATOM 931 O ILE A 64 5.213 -0.180 4.293 1.00 0.00 O ATOM 932 CB ILE A 64 3.228 -1.569 2.485 1.00 0.00 C ATOM 933 CG1 ILE A 64 2.593 -2.646 1.603 1.00 0.00 C ATOM 934 CG2 ILE A 64 2.874 -0.181 1.972 1.00 0.00 C ATOM 935 CD1 ILE A 64 1.195 -3.033 2.033 1.00 0.00 C ATOM 0 H ILE A 64 4.672 -2.997 4.217 1.00 0.00 H new ATOM 0 HA ILE A 64 5.128 -1.906 1.521 1.00 0.00 H new ATOM 0 HB ILE A 64 2.833 -1.674 3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.562 -2.289 0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.226 -3.533 1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.790 -0.069 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.299 0.572 2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.279 -0.050 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.808 -3.800 1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.222 -3.420 3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.547 -2.157 1.995 1.00 0.00 H new ATOM 947 N SER A 65 6.120 0.240 2.277 1.00 0.00 N ATOM 948 CA SER A 65 6.779 1.467 2.707 1.00 0.00 C ATOM 949 C SER A 65 6.409 2.631 1.792 1.00 0.00 C ATOM 950 O SER A 65 6.518 2.533 0.570 1.00 0.00 O ATOM 951 CB SER A 65 8.297 1.278 2.721 1.00 0.00 C ATOM 952 OG SER A 65 8.655 0.075 3.379 1.00 0.00 O ATOM 0 H SER A 65 6.272 0.001 1.297 1.00 0.00 H new ATOM 0 HA SER A 65 6.439 1.698 3.717 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.674 1.263 1.698 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.767 2.124 3.222 1.00 0.00 H new ATOM 0 HG SER A 65 9.390 0.250 4.003 1.00 0.00 H new ATOM 958 N ILE A 66 5.972 3.732 2.394 1.00 0.00 N ATOM 959 CA ILE A 66 5.586 4.915 1.635 1.00 0.00 C ATOM 960 C ILE A 66 6.146 6.183 2.272 1.00 0.00 C ATOM 961 O ILE A 66 6.634 6.161 3.402 1.00 0.00 O ATOM 962 CB ILE A 66 4.055 5.041 1.527 1.00 0.00 C ATOM 963 CG1 ILE A 66 3.519 5.961 2.626 1.00 0.00 C ATOM 964 CG2 ILE A 66 3.404 3.669 1.613 1.00 0.00 C ATOM 965 CD1 ILE A 66 3.917 5.532 4.021 1.00 0.00 C ATOM 0 H ILE A 66 5.876 3.829 3.405 1.00 0.00 H new ATOM 0 HA ILE A 66 6.003 4.798 0.635 1.00 0.00 H new ATOM 0 HB ILE A 66 3.808 5.479 0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.881 6.974 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.431 5.995 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.322 3.774 1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.767 3.042 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.656 3.206 2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.502 6.230 4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.532 4.531 4.218 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.004 5.525 4.103 1.00 0.00 H new ATOM 977 N LYS A 67 6.071 7.289 1.539 1.00 0.00 N ATOM 978 CA LYS A 67 6.566 8.569 2.032 1.00 0.00 C ATOM 979 C LYS A 67 5.473 9.324 2.781 1.00 0.00 C ATOM 980 O LYS A 67 4.455 9.700 2.199 1.00 0.00 O ATOM 981 CB LYS A 67 7.085 9.420 0.870 1.00 0.00 C ATOM 982 CG LYS A 67 7.773 10.699 1.313 1.00 0.00 C ATOM 983 CD LYS A 67 9.101 10.411 1.992 1.00 0.00 C ATOM 984 CE LYS A 67 9.520 11.554 2.905 1.00 0.00 C ATOM 985 NZ LYS A 67 10.974 11.506 3.223 1.00 0.00 N ATOM 0 H LYS A 67 5.672 7.325 0.601 1.00 0.00 H new ATOM 0 HA LYS A 67 7.385 8.371 2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.784 8.827 0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.251 9.674 0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.937 11.343 0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.124 11.244 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.023 9.491 2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.869 10.247 1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.284 12.505 2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.944 11.510 3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.247 12.371 3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.172 10.676 3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.520 11.437 2.341 1.00 0.00 H new ATOM 999 N TYR A 68 5.691 9.544 4.073 1.00 0.00 N ATOM 1000 CA TYR A 68 4.723 10.253 4.901 1.00 0.00 C ATOM 1001 C TYR A 68 5.427 11.099 5.958 1.00 0.00 C ATOM 1002 O TYR A 68 6.418 10.674 6.550 1.00 0.00 O ATOM 1003 CB TYR A 68 3.773 9.262 5.575 1.00 0.00 C ATOM 1004 CG TYR A 68 2.438 9.863 5.952 1.00 0.00 C ATOM 1005 CD1 TYR A 68 1.405 9.945 5.026 1.00 0.00 C ATOM 1006 CD2 TYR A 68 2.209 10.349 7.233 1.00 0.00 C ATOM 1007 CE1 TYR A 68 0.183 10.494 5.366 1.00 0.00 C ATOM 1008 CE2 TYR A 68 0.991 10.899 7.582 1.00 0.00 C ATOM 1009 CZ TYR A 68 -0.019 10.969 6.645 1.00 0.00 C ATOM 1010 OH TYR A 68 -1.234 11.516 6.987 1.00 0.00 O ATOM 0 H TYR A 68 6.529 9.242 4.569 1.00 0.00 H new ATOM 0 HA TYR A 68 4.147 10.916 4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.606 8.419 4.905 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.250 8.867 6.472 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.560 9.573 4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.997 10.296 7.969 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.609 10.551 4.634 1.00 0.00 H new ATOM 0 HE2 TYR A 68 0.830 11.272 8.583 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.875 10.798 7.174 1.00 0.00 H new ATOM 1020 N ASN A 69 4.906 12.300 6.188 1.00 0.00 N ATOM 1021 CA ASN A 69 5.484 13.207 7.174 1.00 0.00 C ATOM 1022 C ASN A 69 6.982 13.380 6.941 1.00 0.00 C ATOM 1023 O ASN A 69 7.750 13.564 7.885 1.00 0.00 O ATOM 1024 CB ASN A 69 5.233 12.682 8.589 1.00 0.00 C ATOM 1025 CG ASN A 69 5.086 13.801 9.602 1.00 0.00 C ATOM 1026 OD1 ASN A 69 3.994 14.337 9.796 1.00 0.00 O ATOM 1027 ND2 ASN A 69 6.186 14.158 10.254 1.00 0.00 N ATOM 0 H ASN A 69 4.086 12.668 5.706 1.00 0.00 H new ATOM 0 HA ASN A 69 5.003 14.179 7.064 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.330 12.071 8.592 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.058 12.033 8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.148 14.904 10.948 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.069 13.686 10.061 1.00 0.00 H new ATOM 1034 N VAL A 70 7.390 13.322 5.677 1.00 0.00 N ATOM 1035 CA VAL A 70 8.795 13.474 5.320 1.00 0.00 C ATOM 1036 C VAL A 70 9.634 12.337 5.892 1.00 0.00 C ATOM 1037 O VAL A 70 10.836 12.488 6.109 1.00 0.00 O ATOM 1038 CB VAL A 70 9.359 14.816 5.821 1.00 0.00 C ATOM 1039 CG1 VAL A 70 8.255 15.859 5.914 1.00 0.00 C ATOM 1040 CG2 VAL A 70 10.048 14.636 7.166 1.00 0.00 C ATOM 0 H VAL A 70 6.767 13.171 4.884 1.00 0.00 H new ATOM 0 HA VAL A 70 8.849 13.449 4.232 1.00 0.00 H new ATOM 0 HB VAL A 70 10.100 15.169 5.103 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.673 16.801 6.270 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.811 16.008 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.489 15.517 6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.441 15.595 7.505 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.330 14.260 7.895 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.867 13.924 7.063 1.00 0.00 H new ATOM 1050 N GLU A 71 8.992 11.198 6.133 1.00 0.00 N ATOM 1051 CA GLU A 71 9.680 10.035 6.680 1.00 0.00 C ATOM 1052 C GLU A 71 9.189 8.751 6.018 1.00 0.00 C ATOM 1053 O GLU A 71 7.986 8.501 5.938 1.00 0.00 O ATOM 1054 CB GLU A 71 9.468 9.955 8.194 1.00 0.00 C ATOM 1055 CG GLU A 71 8.113 10.474 8.647 1.00 0.00 C ATOM 1056 CD GLU A 71 8.032 10.656 10.150 1.00 0.00 C ATOM 1057 OE1 GLU A 71 9.093 10.650 10.807 1.00 0.00 O ATOM 1058 OE2 GLU A 71 6.905 10.804 10.669 1.00 0.00 O ATOM 0 H GLU A 71 7.997 11.056 5.958 1.00 0.00 H new ATOM 0 HA GLU A 71 10.745 10.145 6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.576 8.918 8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.252 10.525 8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.911 11.427 8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.336 9.780 8.326 1.00 0.00 H new ATOM 1065 N VAL A 72 10.130 7.940 5.544 1.00 0.00 N ATOM 1066 CA VAL A 72 9.794 6.681 4.889 1.00 0.00 C ATOM 1067 C VAL A 72 9.345 5.636 5.903 1.00 0.00 C ATOM 1068 O VAL A 72 10.167 4.996 6.558 1.00 0.00 O ATOM 1069 CB VAL A 72 10.991 6.127 4.093 1.00 0.00 C ATOM 1070 CG1 VAL A 72 10.617 4.822 3.405 1.00 0.00 C ATOM 1071 CG2 VAL A 72 11.478 7.152 3.080 1.00 0.00 C ATOM 0 H VAL A 72 11.130 8.132 5.601 1.00 0.00 H new ATOM 0 HA VAL A 72 8.974 6.890 4.202 1.00 0.00 H new ATOM 0 HB VAL A 72 11.805 5.923 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.475 4.446 2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.320 4.088 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.787 4.997 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.324 6.744 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.672 7.390 2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.788 8.058 3.600 1.00 0.00 H new ATOM 1081 N LYS A 73 8.032 5.468 6.029 1.00 0.00 N ATOM 1082 CA LYS A 73 7.471 4.499 6.963 1.00 0.00 C ATOM 1083 C LYS A 73 7.459 3.100 6.354 1.00 0.00 C ATOM 1084 O LYS A 73 7.476 2.977 5.131 1.00 0.00 O ATOM 1085 CB LYS A 73 6.050 4.906 7.359 1.00 0.00 C ATOM 1086 CG LYS A 73 5.903 6.388 7.660 1.00 0.00 C ATOM 1087 CD LYS A 73 6.304 6.708 9.090 1.00 0.00 C ATOM 1088 CE LYS A 73 5.506 7.879 9.644 1.00 0.00 C ATOM 1089 NZ LYS A 73 5.746 8.073 11.101 1.00 0.00 N ATOM 0 H LYS A 73 7.337 5.991 5.496 1.00 0.00 H new ATOM 0 HA LYS A 73 8.100 4.483 7.853 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.366 4.638 6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.748 4.334 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.521 6.963 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.870 6.693 7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.148 5.831 9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.368 6.941 9.127 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.775 8.789 9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.443 7.709 9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.841 8.027 11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.379 7.326 11.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.186 9.002 11.260 1.00 0.00 H new ATOM 1103 N HIS A 74 7.430 2.090 7.210 1.00 0.00 N ATOM 1104 CA HIS A 74 7.416 0.714 6.744 1.00 0.00 C ATOM 1105 C HIS A 74 6.345 -0.073 7.501 1.00 0.00 C ATOM 1106 O HIS A 74 6.164 0.069 8.711 1.00 0.00 O ATOM 1107 CB HIS A 74 8.806 0.086 6.860 1.00 0.00 C ATOM 1108 CG HIS A 74 9.928 0.990 6.407 1.00 0.00 C ATOM 1109 ND1 HIS A 74 10.584 0.823 5.200 1.00 0.00 N ATOM 1110 CD2 HIS A 74 10.501 2.070 7.011 1.00 0.00 C ATOM 1111 CE1 HIS A 74 11.509 1.766 5.093 1.00 0.00 C ATOM 1112 NE2 HIS A 74 11.456 2.537 6.217 1.00 0.00 N ATOM 0 H HIS A 74 7.416 2.197 8.224 1.00 0.00 H new ATOM 0 HA HIS A 74 7.157 0.688 5.686 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.979 -0.199 7.898 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.830 -0.830 6.270 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.224 2.476 7.973 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.186 1.900 4.262 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.052 3.340 6.415 1.00 0.00 H new ATOM 1120 N ILE A 75 5.634 -0.914 6.757 1.00 0.00 N ATOM 1121 CA ILE A 75 4.577 -1.736 7.332 1.00 0.00 C ATOM 1122 C ILE A 75 4.805 -3.214 7.032 1.00 0.00 C ATOM 1123 O ILE A 75 4.996 -3.602 5.879 1.00 0.00 O ATOM 1124 CB ILE A 75 3.191 -1.324 6.802 1.00 0.00 C ATOM 1125 CG1 ILE A 75 2.924 0.152 7.103 1.00 0.00 C ATOM 1126 CG2 ILE A 75 2.108 -2.199 7.414 1.00 0.00 C ATOM 1127 CD1 ILE A 75 1.569 0.630 6.631 1.00 0.00 C ATOM 0 H ILE A 75 5.771 -1.044 5.755 1.00 0.00 H new ATOM 0 HA ILE A 75 4.606 -1.578 8.410 1.00 0.00 H new ATOM 0 HB ILE A 75 3.176 -1.464 5.721 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.004 0.315 8.178 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.698 0.757 6.631 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.134 -1.895 7.029 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.292 -3.241 7.154 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.120 -2.088 8.498 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.449 1.685 6.878 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.493 0.499 5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.787 0.051 7.123 1.00 0.00 H new ATOM 1139 N LYS A 76 4.782 -4.035 8.076 1.00 0.00 N ATOM 1140 CA LYS A 76 4.982 -5.471 7.925 1.00 0.00 C ATOM 1141 C LYS A 76 3.737 -6.137 7.348 1.00 0.00 C ATOM 1142 O LYS A 76 2.614 -5.811 7.732 1.00 0.00 O ATOM 1143 CB LYS A 76 5.332 -6.102 9.275 1.00 0.00 C ATOM 1144 CG LYS A 76 4.127 -6.645 10.023 1.00 0.00 C ATOM 1145 CD LYS A 76 4.375 -6.691 11.522 1.00 0.00 C ATOM 1146 CE LYS A 76 3.912 -5.412 12.202 1.00 0.00 C ATOM 1147 NZ LYS A 76 4.667 -5.147 13.458 1.00 0.00 N ATOM 0 H LYS A 76 4.627 -3.730 9.037 1.00 0.00 H new ATOM 0 HA LYS A 76 5.809 -5.626 7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.044 -6.911 9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.830 -5.358 9.896 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.258 -6.021 9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.894 -7.646 9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.851 -7.544 11.953 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.438 -6.841 11.712 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.037 -4.572 11.519 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.848 -5.485 12.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.322 -4.267 13.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.527 -5.937 14.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.680 -5.052 13.241 1.00 0.00 H new ATOM 1161 N ILE A 77 3.945 -7.071 6.426 1.00 0.00 N ATOM 1162 CA ILE A 77 2.839 -7.784 5.799 1.00 0.00 C ATOM 1163 C ILE A 77 2.811 -9.245 6.233 1.00 0.00 C ATOM 1164 O ILE A 77 3.632 -10.050 5.794 1.00 0.00 O ATOM 1165 CB ILE A 77 2.925 -7.718 4.263 1.00 0.00 C ATOM 1166 CG1 ILE A 77 2.717 -6.281 3.780 1.00 0.00 C ATOM 1167 CG2 ILE A 77 1.899 -8.648 3.634 1.00 0.00 C ATOM 1168 CD1 ILE A 77 3.075 -6.075 2.325 1.00 0.00 C ATOM 0 H ILE A 77 4.869 -7.351 6.097 1.00 0.00 H new ATOM 0 HA ILE A 77 1.922 -7.293 6.125 1.00 0.00 H new ATOM 0 HB ILE A 77 3.918 -8.045 3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.674 -6.002 3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.319 -5.610 4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.973 -8.590 2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.090 -9.672 3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.898 -8.350 3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.903 -5.034 2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.125 -6.322 2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.455 -6.721 1.703 1.00 0.00 H new ATOM 1180 N MET A 78 1.858 -9.582 7.097 1.00 0.00 N ATOM 1181 CA MET A 78 1.721 -10.948 7.588 1.00 0.00 C ATOM 1182 C MET A 78 1.039 -11.833 6.549 1.00 0.00 C ATOM 1183 O MET A 78 0.068 -11.425 5.911 1.00 0.00 O ATOM 1184 CB MET A 78 0.922 -10.966 8.893 1.00 0.00 C ATOM 1185 CG MET A 78 1.272 -9.825 9.835 1.00 0.00 C ATOM 1186 SD MET A 78 1.069 -10.269 11.570 1.00 0.00 S ATOM 1187 CE MET A 78 -0.241 -9.149 12.056 1.00 0.00 C ATOM 0 H MET A 78 1.170 -8.928 7.471 1.00 0.00 H new ATOM 0 HA MET A 78 2.720 -11.342 7.776 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.142 -10.920 8.659 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.096 -11.914 9.403 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.303 -9.519 9.661 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.642 -8.965 9.608 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.553 -9.375 13.076 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.121 -8.122 12.006 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.090 -9.267 11.382 1.00 0.00 H new ATOM 1197 N THR A 79 1.553 -13.048 6.384 1.00 0.00 N ATOM 1198 CA THR A 79 0.995 -13.990 5.422 1.00 0.00 C ATOM 1199 C THR A 79 0.462 -15.237 6.119 1.00 0.00 C ATOM 1200 O THR A 79 1.078 -15.747 7.054 1.00 0.00 O ATOM 1201 CB THR A 79 2.042 -14.409 4.374 1.00 0.00 C ATOM 1202 OG1 THR A 79 3.337 -14.489 4.980 1.00 0.00 O ATOM 1203 CG2 THR A 79 2.078 -13.421 3.218 1.00 0.00 C ATOM 0 H THR A 79 2.355 -13.403 6.905 1.00 0.00 H new ATOM 0 HA THR A 79 0.174 -13.479 4.919 1.00 0.00 H new ATOM 0 HB THR A 79 1.762 -15.388 3.985 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.997 -14.758 4.307 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.825 -13.739 2.491 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.099 -13.385 2.740 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.335 -12.431 3.594 1.00 0.00 H new ATOM 1211 N ALA A 80 -0.686 -15.722 5.657 1.00 0.00 N ATOM 1212 CA ALA A 80 -1.300 -16.912 6.234 1.00 0.00 C ATOM 1213 C ALA A 80 -2.279 -17.553 5.257 1.00 0.00 C ATOM 1214 O ALA A 80 -3.159 -16.884 4.717 1.00 0.00 O ATOM 1215 CB ALA A 80 -2.003 -16.562 7.537 1.00 0.00 C ATOM 0 H ALA A 80 -1.210 -15.309 4.885 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.511 -17.635 6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.457 -17.459 7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.279 -16.156 8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.777 -15.819 7.345 1.00 0.00 H new ATOM 1221 N GLU A 81 -2.119 -18.854 5.035 1.00 0.00 N ATOM 1222 CA GLU A 81 -2.990 -19.585 4.122 1.00 0.00 C ATOM 1223 C GLU A 81 -2.827 -19.076 2.692 1.00 0.00 C ATOM 1224 O GLU A 81 -3.734 -19.201 1.870 1.00 0.00 O ATOM 1225 CB GLU A 81 -4.450 -19.453 4.558 1.00 0.00 C ATOM 1226 CG GLU A 81 -4.646 -19.540 6.063 1.00 0.00 C ATOM 1227 CD GLU A 81 -4.336 -20.918 6.613 1.00 0.00 C ATOM 1228 OE1 GLU A 81 -4.852 -21.910 6.057 1.00 0.00 O ATOM 1229 OE2 GLU A 81 -3.575 -21.005 7.600 1.00 0.00 O ATOM 0 H GLU A 81 -1.395 -19.423 5.474 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.704 -20.636 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.841 -18.499 4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.036 -20.237 4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.006 -18.805 6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.676 -19.279 6.307 1.00 0.00 H new ATOM 1236 N GLY A 82 -1.663 -18.502 2.403 1.00 0.00 N ATOM 1237 CA GLY A 82 -1.403 -17.983 1.073 1.00 0.00 C ATOM 1238 C GLY A 82 -1.978 -16.595 0.869 1.00 0.00 C ATOM 1239 O GLY A 82 -2.114 -16.132 -0.264 1.00 0.00 O ATOM 0 H GLY A 82 -0.896 -18.387 3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.327 -17.956 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.827 -18.661 0.332 1.00 0.00 H new ATOM 1243 N LEU A 83 -2.319 -15.931 1.968 1.00 0.00 N ATOM 1244 CA LEU A 83 -2.886 -14.588 1.905 1.00 0.00 C ATOM 1245 C LEU A 83 -1.870 -13.546 2.363 1.00 0.00 C ATOM 1246 O LEU A 83 -0.850 -13.882 2.965 1.00 0.00 O ATOM 1247 CB LEU A 83 -4.145 -14.503 2.770 1.00 0.00 C ATOM 1248 CG LEU A 83 -5.183 -15.604 2.553 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -5.934 -15.892 3.844 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -6.152 -15.212 1.447 1.00 0.00 C ATOM 0 H LEU A 83 -2.213 -16.300 2.913 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.150 -14.380 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.844 -14.517 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.622 -13.540 2.588 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.663 -16.512 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.669 -16.678 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.230 -16.216 4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.443 -14.988 4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.884 -16.007 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.665 -14.291 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.602 -15.057 0.519 1.00 0.00 H new ATOM 1262 N TYR A 84 -2.156 -12.282 2.075 1.00 0.00 N ATOM 1263 CA TYR A 84 -1.267 -11.191 2.457 1.00 0.00 C ATOM 1264 C TYR A 84 -2.028 -10.110 3.220 1.00 0.00 C ATOM 1265 O TYR A 84 -2.991 -9.537 2.712 1.00 0.00 O ATOM 1266 CB TYR A 84 -0.606 -10.586 1.217 1.00 0.00 C ATOM 1267 CG TYR A 84 0.249 -11.567 0.448 1.00 0.00 C ATOM 1268 CD1 TYR A 84 -0.324 -12.477 -0.432 1.00 0.00 C ATOM 1269 CD2 TYR A 84 1.630 -11.584 0.601 1.00 0.00 C ATOM 1270 CE1 TYR A 84 0.454 -13.375 -1.137 1.00 0.00 C ATOM 1271 CE2 TYR A 84 2.415 -12.477 -0.101 1.00 0.00 C ATOM 1272 CZ TYR A 84 1.823 -13.371 -0.968 1.00 0.00 C ATOM 1273 OH TYR A 84 2.602 -14.264 -1.668 1.00 0.00 O ATOM 0 H TYR A 84 -2.997 -11.987 1.578 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.495 -11.597 3.111 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.380 -10.196 0.556 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.010 -9.740 1.520 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.396 -12.482 -0.567 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.097 -10.887 1.281 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.007 -14.076 -1.817 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.487 -12.475 0.028 1.00 0.00 H new ATOM 0 HH TYR A 84 3.544 -14.129 -1.435 1.00 0.00 H new ATOM 1283 N ARG A 85 -1.586 -9.838 4.444 1.00 0.00 N ATOM 1284 CA ARG A 85 -2.224 -8.827 5.278 1.00 0.00 C ATOM 1285 C ARG A 85 -1.297 -8.391 6.409 1.00 0.00 C ATOM 1286 O ARG A 85 -0.715 -9.225 7.104 1.00 0.00 O ATOM 1287 CB ARG A 85 -3.534 -9.366 5.857 1.00 0.00 C ATOM 1288 CG ARG A 85 -3.451 -10.816 6.304 1.00 0.00 C ATOM 1289 CD ARG A 85 -4.556 -11.158 7.292 1.00 0.00 C ATOM 1290 NE ARG A 85 -4.474 -12.544 7.746 1.00 0.00 N ATOM 1291 CZ ARG A 85 -3.540 -12.990 8.580 1.00 0.00 C ATOM 1292 NH1 ARG A 85 -2.615 -12.163 9.048 1.00 0.00 N ATOM 1293 NH2 ARG A 85 -3.531 -14.264 8.948 1.00 0.00 N ATOM 0 H ARG A 85 -0.790 -10.303 4.879 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.440 -7.960 4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.827 -8.749 6.706 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.319 -9.270 5.107 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.523 -11.470 5.435 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.480 -11.001 6.764 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.493 -10.491 8.151 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.526 -10.986 6.825 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.171 -13.205 7.404 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.619 -11.182 8.768 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.899 -12.508 9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.241 -14.903 8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.814 -14.605 9.588 1.00 0.00 H new ATOM 1307 N ILE A 86 -1.164 -7.081 6.586 1.00 0.00 N ATOM 1308 CA ILE A 86 -0.308 -6.536 7.633 1.00 0.00 C ATOM 1309 C ILE A 86 -0.946 -6.702 9.007 1.00 0.00 C ATOM 1310 O ILE A 86 -0.273 -6.599 10.034 1.00 0.00 O ATOM 1311 CB ILE A 86 -0.009 -5.044 7.395 1.00 0.00 C ATOM 1312 CG1 ILE A 86 -1.269 -4.206 7.624 1.00 0.00 C ATOM 1313 CG2 ILE A 86 0.527 -4.829 5.987 1.00 0.00 C ATOM 1314 CD1 ILE A 86 -1.061 -2.726 7.392 1.00 0.00 C ATOM 0 H ILE A 86 -1.637 -6.378 6.019 1.00 0.00 H new ATOM 0 HA ILE A 86 0.627 -7.096 7.600 1.00 0.00 H new ATOM 0 HB ILE A 86 0.753 -4.724 8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.058 -4.562 6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.617 -4.360 8.645 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.733 -3.770 5.834 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.446 -5.400 5.856 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.214 -5.163 5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.995 -2.195 7.573 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.295 -2.355 8.073 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.742 -2.560 6.363 1.00 0.00 H new ATOM 1326 N THR A 87 -2.250 -6.961 9.021 1.00 0.00 N ATOM 1327 CA THR A 87 -2.980 -7.143 10.269 1.00 0.00 C ATOM 1328 C THR A 87 -3.933 -8.330 10.182 1.00 0.00 C ATOM 1329 O THR A 87 -4.516 -8.592 9.130 1.00 0.00 O ATOM 1330 CB THR A 87 -3.783 -5.881 10.639 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.561 -6.123 11.816 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.697 -5.468 9.496 1.00 0.00 C ATOM 0 H THR A 87 -2.822 -7.049 8.181 1.00 0.00 H new ATOM 0 HA THR A 87 -2.237 -7.333 11.044 1.00 0.00 H new ATOM 0 HB THR A 87 -3.079 -5.072 10.831 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.990 -6.041 12.608 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.254 -4.575 9.780 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.099 -5.256 8.610 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.395 -6.277 9.278 1.00 0.00 H new ATOM 1340 N GLU A 88 -4.086 -9.043 11.293 1.00 0.00 N ATOM 1341 CA GLU A 88 -4.969 -10.203 11.340 1.00 0.00 C ATOM 1342 C GLU A 88 -6.428 -9.771 11.444 1.00 0.00 C ATOM 1343 O GLU A 88 -7.189 -10.305 12.252 1.00 0.00 O ATOM 1344 CB GLU A 88 -4.605 -11.101 12.523 1.00 0.00 C ATOM 1345 CG GLU A 88 -4.647 -10.388 13.864 1.00 0.00 C ATOM 1346 CD GLU A 88 -4.118 -11.245 14.998 1.00 0.00 C ATOM 1347 OE1 GLU A 88 -2.892 -11.482 15.039 1.00 0.00 O ATOM 1348 OE2 GLU A 88 -4.928 -11.679 15.843 1.00 0.00 O ATOM 0 H GLU A 88 -3.611 -8.838 12.172 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.840 -10.764 10.415 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.291 -11.948 12.550 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.605 -11.505 12.367 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.060 -9.471 13.802 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.674 -10.095 14.083 1.00 0.00 H new ATOM 1355 N LYS A 89 -6.813 -8.801 10.622 1.00 0.00 N ATOM 1356 CA LYS A 89 -8.181 -8.297 10.620 1.00 0.00 C ATOM 1357 C LYS A 89 -8.892 -8.657 9.319 1.00 0.00 C ATOM 1358 O LYS A 89 -10.079 -8.983 9.318 1.00 0.00 O ATOM 1359 CB LYS A 89 -8.187 -6.779 10.813 1.00 0.00 C ATOM 1360 CG LYS A 89 -7.805 -6.343 12.218 1.00 0.00 C ATOM 1361 CD LYS A 89 -8.294 -4.935 12.517 1.00 0.00 C ATOM 1362 CE LYS A 89 -7.248 -3.893 12.151 1.00 0.00 C ATOM 1363 NZ LYS A 89 -6.055 -3.969 13.039 1.00 0.00 N ATOM 0 H LYS A 89 -6.196 -8.348 9.948 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.715 -8.765 11.447 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.496 -6.328 10.101 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.180 -6.395 10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.228 -7.038 12.943 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.722 -6.385 12.331 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.212 -4.742 11.962 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.538 -4.851 13.576 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.940 -4.036 11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.688 -2.898 12.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.562 -3.053 13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.357 -4.198 14.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.412 -4.709 12.693 1.00 0.00 H new ATOM 1377 N LYS A 90 -8.158 -8.597 8.213 1.00 0.00 N ATOM 1378 CA LYS A 90 -8.716 -8.920 6.906 1.00 0.00 C ATOM 1379 C LYS A 90 -7.619 -9.344 5.935 1.00 0.00 C ATOM 1380 O LYS A 90 -6.759 -8.544 5.568 1.00 0.00 O ATOM 1381 CB LYS A 90 -9.474 -7.716 6.341 1.00 0.00 C ATOM 1382 CG LYS A 90 -10.682 -8.096 5.502 1.00 0.00 C ATOM 1383 CD LYS A 90 -10.310 -8.280 4.040 1.00 0.00 C ATOM 1384 CE LYS A 90 -11.527 -8.152 3.136 1.00 0.00 C ATOM 1385 NZ LYS A 90 -12.197 -9.464 2.921 1.00 0.00 N ATOM 0 H LYS A 90 -7.174 -8.327 8.196 1.00 0.00 H new ATOM 0 HA LYS A 90 -9.408 -9.753 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.800 -7.083 7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.793 -7.121 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.118 -9.018 5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.445 -7.322 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.565 -7.537 3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.853 -9.259 3.900 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.235 -7.450 3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.224 -7.737 2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.021 -9.335 2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.529 -10.126 2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.509 -9.848 3.836 1.00 0.00 H new ATOM 1399 N ALA A 91 -7.656 -10.607 5.522 1.00 0.00 N ATOM 1400 CA ALA A 91 -6.667 -11.136 4.591 1.00 0.00 C ATOM 1401 C ALA A 91 -7.180 -11.083 3.156 1.00 0.00 C ATOM 1402 O ALA A 91 -8.387 -11.100 2.917 1.00 0.00 O ATOM 1403 CB ALA A 91 -6.296 -12.562 4.969 1.00 0.00 C ATOM 0 H ALA A 91 -8.361 -11.283 5.818 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.776 -10.512 4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.557 -12.944 4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.879 -12.575 5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.186 -13.190 4.937 1.00 0.00 H new ATOM 1409 N PHE A 92 -6.255 -11.019 2.204 1.00 0.00 N ATOM 1410 CA PHE A 92 -6.614 -10.962 0.792 1.00 0.00 C ATOM 1411 C PHE A 92 -5.878 -12.038 0.000 1.00 0.00 C ATOM 1412 O PHE A 92 -4.865 -12.573 0.451 1.00 0.00 O ATOM 1413 CB PHE A 92 -6.293 -9.581 0.218 1.00 0.00 C ATOM 1414 CG PHE A 92 -6.958 -8.455 0.957 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -6.562 -8.125 2.244 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -7.976 -7.725 0.366 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -7.172 -7.090 2.927 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -8.590 -6.689 1.044 1.00 0.00 C ATOM 1419 CZ PHE A 92 -8.187 -6.370 2.326 1.00 0.00 C ATOM 0 H PHE A 92 -5.251 -11.005 2.385 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.686 -11.143 0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.214 -9.430 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.600 -9.550 -0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.768 -8.683 2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.294 -7.968 -0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.856 -6.844 3.930 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.384 -6.129 0.572 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.664 -5.560 2.857 1.00 0.00 H new ATOM 1429 N ARG A 93 -6.395 -12.351 -1.184 1.00 0.00 N ATOM 1430 CA ARG A 93 -5.789 -13.364 -2.039 1.00 0.00 C ATOM 1431 C ARG A 93 -4.340 -13.009 -2.360 1.00 0.00 C ATOM 1432 O ARG A 93 -3.468 -13.876 -2.382 1.00 0.00 O ATOM 1433 CB ARG A 93 -6.588 -13.513 -3.335 1.00 0.00 C ATOM 1434 CG ARG A 93 -8.065 -13.795 -3.111 1.00 0.00 C ATOM 1435 CD ARG A 93 -8.344 -15.288 -3.048 1.00 0.00 C ATOM 1436 NE ARG A 93 -8.242 -15.920 -4.361 1.00 0.00 N ATOM 1437 CZ ARG A 93 -9.231 -15.934 -5.248 1.00 0.00 C ATOM 1438 NH1 ARG A 93 -10.388 -15.354 -4.965 1.00 0.00 N ATOM 1439 NH2 ARG A 93 -9.062 -16.529 -6.422 1.00 0.00 N ATOM 0 H ARG A 93 -7.232 -11.917 -1.573 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.802 -14.312 -1.501 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.486 -12.600 -3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.158 -14.322 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.390 -13.324 -2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.648 -13.349 -3.917 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.640 -15.760 -2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.342 -15.453 -2.643 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.364 -16.375 -4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.521 -14.895 -4.064 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.145 -15.366 -5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.172 -16.976 -6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.822 -16.539 -7.103 1.00 0.00 H new ATOM 1453 N GLY A 94 -4.092 -11.726 -2.610 1.00 0.00 N ATOM 1454 CA GLY A 94 -2.749 -11.279 -2.927 1.00 0.00 C ATOM 1455 C GLY A 94 -2.545 -9.805 -2.636 1.00 0.00 C ATOM 1456 O GLY A 94 -3.490 -9.096 -2.290 1.00 0.00 O ATOM 0 H GLY A 94 -4.797 -10.989 -2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.030 -11.863 -2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.545 -11.470 -3.981 1.00 0.00 H new ATOM 1460 N LEU A 95 -1.307 -9.342 -2.776 1.00 0.00 N ATOM 1461 CA LEU A 95 -0.981 -7.943 -2.524 1.00 0.00 C ATOM 1462 C LEU A 95 -1.958 -7.018 -3.243 1.00 0.00 C ATOM 1463 O LEU A 95 -2.678 -6.245 -2.610 1.00 0.00 O ATOM 1464 CB LEU A 95 0.449 -7.643 -2.976 1.00 0.00 C ATOM 1465 CG LEU A 95 1.548 -7.906 -1.946 1.00 0.00 C ATOM 1466 CD1 LEU A 95 1.642 -6.752 -0.960 1.00 0.00 C ATOM 1467 CD2 LEU A 95 1.291 -9.216 -1.215 1.00 0.00 C ATOM 0 H LEU A 95 -0.513 -9.915 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.062 -7.764 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.661 -8.239 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.502 -6.596 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 95 2.500 -7.987 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.429 -6.957 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.874 -5.832 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.690 -6.639 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.083 -9.387 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.331 -9.164 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.275 -10.036 -1.933 1.00 0.00 H new ATOM 1479 N THR A 96 -1.981 -7.105 -4.569 1.00 0.00 N ATOM 1480 CA THR A 96 -2.870 -6.277 -5.374 1.00 0.00 C ATOM 1481 C THR A 96 -4.180 -6.005 -4.643 1.00 0.00 C ATOM 1482 O THR A 96 -4.662 -4.873 -4.617 1.00 0.00 O ATOM 1483 CB THR A 96 -3.180 -6.940 -6.730 1.00 0.00 C ATOM 1484 OG1 THR A 96 -1.970 -7.409 -7.334 1.00 0.00 O ATOM 1485 CG2 THR A 96 -3.873 -5.960 -7.665 1.00 0.00 C ATOM 0 H THR A 96 -1.394 -7.741 -5.108 1.00 0.00 H new ATOM 0 HA THR A 96 -2.352 -5.334 -5.549 1.00 0.00 H new ATOM 0 HB THR A 96 -3.848 -7.783 -6.553 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.250 -6.765 -7.168 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.082 -6.450 -8.616 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.808 -5.627 -7.215 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.226 -5.100 -7.835 1.00 0.00 H new ATOM 1493 N GLU A 97 -4.749 -7.049 -4.050 1.00 0.00 N ATOM 1494 CA GLU A 97 -6.004 -6.921 -3.318 1.00 0.00 C ATOM 1495 C GLU A 97 -5.785 -6.218 -1.982 1.00 0.00 C ATOM 1496 O GLU A 97 -6.408 -5.195 -1.696 1.00 0.00 O ATOM 1497 CB GLU A 97 -6.628 -8.299 -3.086 1.00 0.00 C ATOM 1498 CG GLU A 97 -7.089 -8.981 -4.363 1.00 0.00 C ATOM 1499 CD GLU A 97 -8.221 -8.238 -5.046 1.00 0.00 C ATOM 1500 OE1 GLU A 97 -9.350 -8.260 -4.512 1.00 0.00 O ATOM 1501 OE2 GLU A 97 -7.979 -7.637 -6.113 1.00 0.00 O ATOM 0 H GLU A 97 -4.362 -7.992 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.685 -6.318 -3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.901 -8.938 -2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.479 -8.195 -2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.247 -9.064 -5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.413 -9.996 -4.132 1.00 0.00 H new ATOM 1508 N LEU A 98 -4.896 -6.775 -1.166 1.00 0.00 N ATOM 1509 CA LEU A 98 -4.593 -6.203 0.141 1.00 0.00 C ATOM 1510 C LEU A 98 -4.412 -4.691 0.045 1.00 0.00 C ATOM 1511 O LEU A 98 -5.006 -3.934 0.813 1.00 0.00 O ATOM 1512 CB LEU A 98 -3.331 -6.844 0.721 1.00 0.00 C ATOM 1513 CG LEU A 98 -2.938 -6.397 2.129 1.00 0.00 C ATOM 1514 CD1 LEU A 98 -2.045 -5.168 2.070 1.00 0.00 C ATOM 1515 CD2 LEU A 98 -4.178 -6.118 2.966 1.00 0.00 C ATOM 0 H LEU A 98 -4.373 -7.622 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.434 -6.408 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.468 -7.925 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.499 -6.633 0.049 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.379 -7.204 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.776 -4.865 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.141 -5.402 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.578 -4.355 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.879 -5.801 3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.765 -5.329 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.780 -7.024 3.038 1.00 0.00 H new ATOM 1527 N VAL A 99 -3.588 -4.258 -0.904 1.00 0.00 N ATOM 1528 CA VAL A 99 -3.330 -2.837 -1.103 1.00 0.00 C ATOM 1529 C VAL A 99 -4.605 -2.097 -1.492 1.00 0.00 C ATOM 1530 O VAL A 99 -4.887 -1.015 -0.978 1.00 0.00 O ATOM 1531 CB VAL A 99 -2.263 -2.607 -2.189 1.00 0.00 C ATOM 1532 CG1 VAL A 99 -1.946 -1.125 -2.321 1.00 0.00 C ATOM 1533 CG2 VAL A 99 -1.006 -3.404 -1.878 1.00 0.00 C ATOM 0 H VAL A 99 -3.088 -4.871 -1.547 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.961 -2.446 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.659 -2.955 -3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.190 -0.982 -3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.851 -0.582 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.570 -0.747 -1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.263 -3.229 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.604 -3.089 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.249 -4.466 -1.840 1.00 0.00 H new ATOM 1543 N GLU A 100 -5.371 -2.688 -2.404 1.00 0.00 N ATOM 1544 CA GLU A 100 -6.616 -2.083 -2.862 1.00 0.00 C ATOM 1545 C GLU A 100 -7.464 -1.621 -1.681 1.00 0.00 C ATOM 1546 O GLU A 100 -7.975 -0.501 -1.669 1.00 0.00 O ATOM 1547 CB GLU A 100 -7.408 -3.077 -3.714 1.00 0.00 C ATOM 1548 CG GLU A 100 -7.136 -2.954 -5.204 1.00 0.00 C ATOM 1549 CD GLU A 100 -8.332 -3.345 -6.050 1.00 0.00 C ATOM 1550 OE1 GLU A 100 -9.174 -2.467 -6.330 1.00 0.00 O ATOM 1551 OE2 GLU A 100 -8.425 -4.530 -6.433 1.00 0.00 O ATOM 0 H GLU A 100 -5.151 -3.584 -2.840 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.365 -1.213 -3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.168 -4.090 -3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.473 -2.929 -3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.853 -1.927 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.287 -3.585 -5.468 1.00 0.00 H new ATOM 1558 N PHE A 101 -7.609 -2.492 -0.688 1.00 0.00 N ATOM 1559 CA PHE A 101 -8.396 -2.175 0.498 1.00 0.00 C ATOM 1560 C PHE A 101 -7.800 -0.985 1.244 1.00 0.00 C ATOM 1561 O PHE A 101 -8.508 -0.043 1.601 1.00 0.00 O ATOM 1562 CB PHE A 101 -8.469 -3.388 1.427 1.00 0.00 C ATOM 1563 CG PHE A 101 -9.439 -3.218 2.561 1.00 0.00 C ATOM 1564 CD1 PHE A 101 -9.085 -2.498 3.691 1.00 0.00 C ATOM 1565 CD2 PHE A 101 -10.706 -3.776 2.497 1.00 0.00 C ATOM 1566 CE1 PHE A 101 -9.975 -2.340 4.736 1.00 0.00 C ATOM 1567 CE2 PHE A 101 -11.601 -3.621 3.540 1.00 0.00 C ATOM 1568 CZ PHE A 101 -11.235 -2.901 4.660 1.00 0.00 C ATOM 0 H PHE A 101 -7.192 -3.423 -0.681 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.403 -1.912 0.175 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.753 -4.265 0.845 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.477 -3.584 1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -8.102 -2.055 3.756 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -10.998 -4.338 1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.686 -1.778 5.612 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -12.585 -4.062 3.479 1.00 0.00 H new ATOM 0 HZ PHE A 101 -11.933 -2.777 5.475 1.00 0.00 H new ATOM 1578 N TYR A 102 -6.493 -1.035 1.478 1.00 0.00 N ATOM 1579 CA TYR A 102 -5.801 0.037 2.184 1.00 0.00 C ATOM 1580 C TYR A 102 -5.770 1.311 1.345 1.00 0.00 C ATOM 1581 O TYR A 102 -5.574 2.407 1.869 1.00 0.00 O ATOM 1582 CB TYR A 102 -4.375 -0.392 2.533 1.00 0.00 C ATOM 1583 CG TYR A 102 -4.311 -1.521 3.537 1.00 0.00 C ATOM 1584 CD1 TYR A 102 -5.264 -1.640 4.540 1.00 0.00 C ATOM 1585 CD2 TYR A 102 -3.297 -2.470 3.481 1.00 0.00 C ATOM 1586 CE1 TYR A 102 -5.209 -2.670 5.460 1.00 0.00 C ATOM 1587 CE2 TYR A 102 -3.235 -3.504 4.395 1.00 0.00 C ATOM 1588 CZ TYR A 102 -4.193 -3.599 5.383 1.00 0.00 C ATOM 1589 OH TYR A 102 -4.135 -4.627 6.296 1.00 0.00 O ATOM 0 H TYR A 102 -5.892 -1.806 1.189 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.347 0.243 3.104 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.863 -0.699 1.621 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.833 0.467 2.929 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.062 -0.915 4.602 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.545 -2.398 2.710 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.958 -2.747 6.235 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.441 -4.234 4.336 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.642 -5.394 5.958 1.00 0.00 H new ATOM 1599 N GLN A 103 -5.964 1.156 0.039 1.00 0.00 N ATOM 1600 CA GLN A 103 -5.959 2.294 -0.873 1.00 0.00 C ATOM 1601 C GLN A 103 -7.193 3.165 -0.665 1.00 0.00 C ATOM 1602 O GLN A 103 -7.274 4.277 -1.185 1.00 0.00 O ATOM 1603 CB GLN A 103 -5.900 1.811 -2.323 1.00 0.00 C ATOM 1604 CG GLN A 103 -4.485 1.575 -2.829 1.00 0.00 C ATOM 1605 CD GLN A 103 -4.456 0.961 -4.214 1.00 0.00 C ATOM 1606 OE1 GLN A 103 -5.498 0.644 -4.788 1.00 0.00 O ATOM 1607 NE2 GLN A 103 -3.258 0.790 -4.761 1.00 0.00 N ATOM 0 H GLN A 103 -6.126 0.255 -0.411 1.00 0.00 H new ATOM 0 HA GLN A 103 -5.074 2.894 -0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.468 0.885 -2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.388 2.547 -2.962 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.946 2.522 -2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.959 0.920 -2.134 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.420 1.067 -4.250 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.176 0.382 -5.692 1.00 0.00 H new ATOM 1616 N GLN A 104 -8.152 2.651 0.099 1.00 0.00 N ATOM 1617 CA GLN A 104 -9.383 3.383 0.374 1.00 0.00 C ATOM 1618 C GLN A 104 -9.501 3.710 1.859 1.00 0.00 C ATOM 1619 O GLN A 104 -10.225 4.625 2.247 1.00 0.00 O ATOM 1620 CB GLN A 104 -10.597 2.569 -0.079 1.00 0.00 C ATOM 1621 CG GLN A 104 -10.376 1.066 -0.026 1.00 0.00 C ATOM 1622 CD GLN A 104 -11.397 0.298 -0.842 1.00 0.00 C ATOM 1623 OE1 GLN A 104 -12.599 0.544 -0.746 1.00 0.00 O ATOM 1624 NE2 GLN A 104 -10.921 -0.641 -1.653 1.00 0.00 N ATOM 0 H GLN A 104 -8.100 1.732 0.538 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.353 4.319 -0.184 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -11.450 2.825 0.549 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -10.855 2.854 -1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.376 0.836 -0.393 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -10.419 0.732 1.011 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -9.917 -0.812 -1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -11.560 -1.191 -2.227 1.00 0.00 H new ATOM 1633 N ASN A 105 -8.785 2.954 2.685 1.00 0.00 N ATOM 1634 CA ASN A 105 -8.810 3.163 4.128 1.00 0.00 C ATOM 1635 C ASN A 105 -7.419 3.508 4.653 1.00 0.00 C ATOM 1636 O ASN A 105 -6.411 3.061 4.106 1.00 0.00 O ATOM 1637 CB ASN A 105 -9.340 1.915 4.837 1.00 0.00 C ATOM 1638 CG ASN A 105 -10.705 1.497 4.327 1.00 0.00 C ATOM 1639 OD1 ASN A 105 -11.731 1.839 4.915 1.00 0.00 O ATOM 1640 ND2 ASN A 105 -10.724 0.752 3.228 1.00 0.00 N ATOM 0 H ASN A 105 -8.180 2.191 2.380 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.475 4.001 4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.636 1.095 4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.398 2.106 5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -11.614 0.440 2.839 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.849 0.492 2.773 1.00 0.00 H new ATOM 1647 N SER A 106 -7.374 4.304 5.716 1.00 0.00 N ATOM 1648 CA SER A 106 -6.107 4.711 6.313 1.00 0.00 C ATOM 1649 C SER A 106 -5.492 3.568 7.114 1.00 0.00 C ATOM 1650 O SER A 106 -6.191 2.848 7.828 1.00 0.00 O ATOM 1651 CB SER A 106 -6.312 5.929 7.216 1.00 0.00 C ATOM 1652 OG SER A 106 -5.126 6.246 7.922 1.00 0.00 O ATOM 0 H SER A 106 -8.200 4.680 6.182 1.00 0.00 H new ATOM 0 HA SER A 106 -5.423 4.976 5.507 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.620 6.784 6.614 1.00 0.00 H new ATOM 0 HB3 SER A 106 -7.117 5.730 7.923 1.00 0.00 H new ATOM 0 HG SER A 106 -4.939 7.204 7.834 1.00 0.00 H new ATOM 1658 N LEU A 107 -4.179 3.406 6.990 1.00 0.00 N ATOM 1659 CA LEU A 107 -3.467 2.351 7.702 1.00 0.00 C ATOM 1660 C LEU A 107 -3.571 2.547 9.211 1.00 0.00 C ATOM 1661 O LEU A 107 -3.254 1.646 9.988 1.00 0.00 O ATOM 1662 CB LEU A 107 -1.998 2.325 7.279 1.00 0.00 C ATOM 1663 CG LEU A 107 -1.703 1.704 5.913 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -1.780 0.187 5.988 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -2.670 2.238 4.865 1.00 0.00 C ATOM 0 H LEU A 107 -3.586 3.992 6.403 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.929 1.398 7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.623 3.348 7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.433 1.778 8.034 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.690 1.981 5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.567 -0.237 5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.048 -0.179 6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.780 -0.111 6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.446 1.786 3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.692 1.991 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.566 3.321 4.792 1.00 0.00 H new ATOM 1677 N LYS A 108 -4.018 3.729 9.620 1.00 0.00 N ATOM 1678 CA LYS A 108 -4.167 4.044 11.036 1.00 0.00 C ATOM 1679 C LYS A 108 -4.760 2.862 11.796 1.00 0.00 C ATOM 1680 O LYS A 108 -4.389 2.598 12.940 1.00 0.00 O ATOM 1681 CB LYS A 108 -5.056 5.277 11.214 1.00 0.00 C ATOM 1682 CG LYS A 108 -6.540 4.957 11.244 1.00 0.00 C ATOM 1683 CD LYS A 108 -7.380 6.219 11.348 1.00 0.00 C ATOM 1684 CE LYS A 108 -7.862 6.682 9.981 1.00 0.00 C ATOM 1685 NZ LYS A 108 -8.845 7.796 10.088 1.00 0.00 N ATOM 0 H LYS A 108 -4.284 4.486 8.990 1.00 0.00 H new ATOM 0 HA LYS A 108 -3.178 4.255 11.442 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.783 5.781 12.141 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.860 5.976 10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.814 4.410 10.342 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.756 4.304 12.090 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.238 6.034 11.994 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -6.794 7.010 11.815 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -7.009 7.007 9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -8.318 5.844 9.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.149 8.083 9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.671 7.479 10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.402 8.605 10.568 1.00 0.00 H new ATOM 1699 N ASP A 109 -5.682 2.154 11.153 1.00 0.00 N ATOM 1700 CA ASP A 109 -6.324 0.998 11.768 1.00 0.00 C ATOM 1701 C ASP A 109 -5.285 0.040 12.342 1.00 0.00 C ATOM 1702 O ASP A 109 -5.423 -0.440 13.468 1.00 0.00 O ATOM 1703 CB ASP A 109 -7.199 0.270 10.746 1.00 0.00 C ATOM 1704 CG ASP A 109 -8.330 -0.501 11.397 1.00 0.00 C ATOM 1705 OD1 ASP A 109 -8.828 -0.049 12.450 1.00 0.00 O ATOM 1706 OD2 ASP A 109 -8.719 -1.555 10.853 1.00 0.00 O ATOM 0 H ASP A 109 -6.001 2.360 10.207 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.953 1.354 12.584 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.613 0.995 10.045 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.581 -0.416 10.167 1.00 0.00 H new ATOM 1711 N CYS A 110 -4.247 -0.235 11.560 1.00 0.00 N ATOM 1712 CA CYS A 110 -3.185 -1.138 11.990 1.00 0.00 C ATOM 1713 C CYS A 110 -2.137 -0.394 12.810 1.00 0.00 C ATOM 1714 O CYS A 110 -1.619 -0.917 13.797 1.00 0.00 O ATOM 1715 CB CYS A 110 -2.526 -1.798 10.777 1.00 0.00 C ATOM 1716 SG CYS A 110 -3.686 -2.269 9.472 1.00 0.00 S ATOM 0 H CYS A 110 -4.118 0.154 10.626 1.00 0.00 H new ATOM 0 HA CYS A 110 -3.631 -1.910 12.618 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -1.787 -1.113 10.361 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.988 -2.686 11.108 1.00 0.00 H new ATOM 0 HG CYS A 110 -3.825 -1.281 8.638 1.00 0.00 H new ATOM 1722 N PHE A 111 -1.828 0.830 12.395 1.00 0.00 N ATOM 1723 CA PHE A 111 -0.839 1.646 13.090 1.00 0.00 C ATOM 1724 C PHE A 111 -1.342 3.076 13.268 1.00 0.00 C ATOM 1725 O PHE A 111 -1.076 3.948 12.441 1.00 0.00 O ATOM 1726 CB PHE A 111 0.483 1.651 12.319 1.00 0.00 C ATOM 1727 CG PHE A 111 1.172 0.316 12.302 1.00 0.00 C ATOM 1728 CD1 PHE A 111 1.918 -0.106 13.390 1.00 0.00 C ATOM 1729 CD2 PHE A 111 1.072 -0.516 11.199 1.00 0.00 C ATOM 1730 CE1 PHE A 111 2.554 -1.334 13.377 1.00 0.00 C ATOM 1731 CE2 PHE A 111 1.705 -1.744 11.180 1.00 0.00 C ATOM 1732 CZ PHE A 111 2.446 -2.154 12.271 1.00 0.00 C ATOM 0 H PHE A 111 -2.248 1.279 11.581 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.675 1.211 14.076 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.295 1.967 11.293 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.150 2.390 12.763 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.004 0.531 14.258 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.492 -0.201 10.344 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.134 -1.651 14.231 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.620 -2.382 10.313 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.940 -3.114 12.259 1.00 0.00 H new ATOM 1742 N LYS A 112 -2.072 3.309 14.354 1.00 0.00 N ATOM 1743 CA LYS A 112 -2.613 4.632 14.643 1.00 0.00 C ATOM 1744 C LYS A 112 -1.662 5.725 14.166 1.00 0.00 C ATOM 1745 O LYS A 112 -1.994 6.502 13.271 1.00 0.00 O ATOM 1746 CB LYS A 112 -2.869 4.783 16.144 1.00 0.00 C ATOM 1747 CG LYS A 112 -3.528 6.099 16.519 1.00 0.00 C ATOM 1748 CD LYS A 112 -2.496 7.176 16.812 1.00 0.00 C ATOM 1749 CE LYS A 112 -1.843 6.967 18.170 1.00 0.00 C ATOM 1750 NZ LYS A 112 -0.534 7.669 18.270 1.00 0.00 N ATOM 0 H LYS A 112 -2.303 2.598 15.049 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.556 4.737 14.107 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.501 3.961 16.481 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.922 4.696 16.676 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.177 6.427 15.707 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.162 5.953 17.394 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.732 7.170 16.035 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.973 8.156 16.783 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -2.510 7.329 18.953 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.697 5.901 18.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.169 7.587 19.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.143 7.238 17.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.660 8.673 18.031 1.00 0.00 H new ATOM 1764 N SER A 113 -0.478 5.777 14.767 1.00 0.00 N ATOM 1765 CA SER A 113 0.520 6.776 14.404 1.00 0.00 C ATOM 1766 C SER A 113 0.559 6.982 12.893 1.00 0.00 C ATOM 1767 O SER A 113 0.683 8.108 12.411 1.00 0.00 O ATOM 1768 CB SER A 113 1.902 6.354 14.909 1.00 0.00 C ATOM 1769 OG SER A 113 2.042 6.621 16.294 1.00 0.00 O ATOM 0 H SER A 113 -0.186 5.139 15.508 1.00 0.00 H new ATOM 0 HA SER A 113 0.241 7.719 14.874 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.051 5.290 14.724 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.674 6.886 14.353 1.00 0.00 H new ATOM 0 HG SER A 113 2.932 6.341 16.593 1.00 0.00 H new ATOM 1775 N LEU A 114 0.453 5.885 12.151 1.00 0.00 N ATOM 1776 CA LEU A 114 0.476 5.943 10.693 1.00 0.00 C ATOM 1777 C LEU A 114 -0.937 6.059 10.131 1.00 0.00 C ATOM 1778 O LEU A 114 -1.638 5.059 9.975 1.00 0.00 O ATOM 1779 CB LEU A 114 1.163 4.701 10.124 1.00 0.00 C ATOM 1780 CG LEU A 114 1.645 4.803 8.677 1.00 0.00 C ATOM 1781 CD1 LEU A 114 2.137 6.210 8.377 1.00 0.00 C ATOM 1782 CD2 LEU A 114 2.741 3.783 8.406 1.00 0.00 C ATOM 0 H LEU A 114 0.350 4.945 12.534 1.00 0.00 H new ATOM 0 HA LEU A 114 1.039 6.829 10.398 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.019 4.463 10.755 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.471 3.862 10.197 1.00 0.00 H new ATOM 0 HG LEU A 114 0.804 4.586 8.018 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.476 6.264 7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.324 6.920 8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 114 2.964 6.456 9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.072 3.870 7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.583 3.968 9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.354 2.779 8.580 1.00 0.00 H new ATOM 1794 N ASP A 115 -1.348 7.285 9.826 1.00 0.00 N ATOM 1795 CA ASP A 115 -2.677 7.532 9.277 1.00 0.00 C ATOM 1796 C ASP A 115 -2.588 7.986 7.823 1.00 0.00 C ATOM 1797 O ASP A 115 -2.937 9.120 7.492 1.00 0.00 O ATOM 1798 CB ASP A 115 -3.408 8.586 10.109 1.00 0.00 C ATOM 1799 CG ASP A 115 -4.846 8.776 9.669 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -5.100 8.750 8.447 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -5.717 8.952 10.547 1.00 0.00 O ATOM 0 H ASP A 115 -0.780 8.123 9.949 1.00 0.00 H new ATOM 0 HA ASP A 115 -3.238 6.598 9.314 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.388 8.294 11.159 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -2.879 9.536 10.032 1.00 0.00 H new ATOM 1806 N THR A 116 -2.119 7.093 6.957 1.00 0.00 N ATOM 1807 CA THR A 116 -1.982 7.401 5.540 1.00 0.00 C ATOM 1808 C THR A 116 -2.638 6.329 4.678 1.00 0.00 C ATOM 1809 O THR A 116 -3.261 5.399 5.192 1.00 0.00 O ATOM 1810 CB THR A 116 -0.502 7.535 5.134 1.00 0.00 C ATOM 1811 OG1 THR A 116 -0.404 8.043 3.799 1.00 0.00 O ATOM 1812 CG2 THR A 116 0.207 6.192 5.224 1.00 0.00 C ATOM 0 H THR A 116 -1.828 6.150 7.213 1.00 0.00 H new ATOM 0 HA THR A 116 -2.484 8.354 5.375 1.00 0.00 H new ATOM 0 HB THR A 116 -0.021 8.229 5.823 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.092 8.972 3.824 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.251 6.311 4.933 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.156 5.822 6.248 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.277 5.480 4.556 1.00 0.00 H new ATOM 1820 N THR A 117 -2.495 6.463 3.363 1.00 0.00 N ATOM 1821 CA THR A 117 -3.075 5.506 2.429 1.00 0.00 C ATOM 1822 C THR A 117 -2.169 5.299 1.220 1.00 0.00 C ATOM 1823 O THR A 117 -1.320 6.138 0.918 1.00 0.00 O ATOM 1824 CB THR A 117 -4.463 5.964 1.944 1.00 0.00 C ATOM 1825 OG1 THR A 117 -4.384 7.294 1.420 1.00 0.00 O ATOM 1826 CG2 THR A 117 -5.475 5.920 3.079 1.00 0.00 C ATOM 0 H THR A 117 -1.982 7.226 2.921 1.00 0.00 H new ATOM 0 HA THR A 117 -3.179 4.564 2.967 1.00 0.00 H new ATOM 0 HB THR A 117 -4.792 5.283 1.159 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.270 7.577 1.112 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.448 6.248 2.712 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.554 4.901 3.456 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.149 6.580 3.883 1.00 0.00 H new ATOM 1834 N LEU A 118 -2.356 4.179 0.532 1.00 0.00 N ATOM 1835 CA LEU A 118 -1.555 3.862 -0.646 1.00 0.00 C ATOM 1836 C LEU A 118 -1.901 4.791 -1.805 1.00 0.00 C ATOM 1837 O LEU A 118 -2.775 4.488 -2.616 1.00 0.00 O ATOM 1838 CB LEU A 118 -1.777 2.406 -1.061 1.00 0.00 C ATOM 1839 CG LEU A 118 -1.345 1.346 -0.047 1.00 0.00 C ATOM 1840 CD1 LEU A 118 0.126 1.509 0.302 1.00 0.00 C ATOM 1841 CD2 LEU A 118 -2.205 1.425 1.206 1.00 0.00 C ATOM 0 H LEU A 118 -3.055 3.475 0.769 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.505 4.005 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.837 2.267 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.240 2.229 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.483 0.363 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.415 0.746 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.728 1.401 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.291 2.497 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.884 0.663 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -2.099 2.411 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.249 1.257 0.942 1.00 0.00 H new ATOM 1853 N GLN A 119 -1.206 5.922 -1.877 1.00 0.00 N ATOM 1854 CA GLN A 119 -1.439 6.895 -2.938 1.00 0.00 C ATOM 1855 C GLN A 119 -1.020 6.333 -4.293 1.00 0.00 C ATOM 1856 O GLN A 119 -1.864 5.976 -5.115 1.00 0.00 O ATOM 1857 CB GLN A 119 -0.674 8.188 -2.650 1.00 0.00 C ATOM 1858 CG GLN A 119 -0.862 8.704 -1.233 1.00 0.00 C ATOM 1859 CD GLN A 119 -0.806 10.216 -1.149 1.00 0.00 C ATOM 1860 OE1 GLN A 119 -0.378 10.886 -2.090 1.00 0.00 O ATOM 1861 NE2 GLN A 119 -1.238 10.764 -0.020 1.00 0.00 N ATOM 0 H GLN A 119 -0.478 6.187 -1.214 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.507 7.112 -2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 119 0.388 8.019 -2.828 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.997 8.956 -3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.822 8.358 -0.849 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -0.090 8.280 -0.591 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -1.585 10.172 0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -1.223 11.778 0.093 1.00 0.00 H new ATOM 1870 N PHE A 120 0.287 6.259 -4.518 1.00 0.00 N ATOM 1871 CA PHE A 120 0.818 5.742 -5.774 1.00 0.00 C ATOM 1872 C PHE A 120 2.080 4.918 -5.533 1.00 0.00 C ATOM 1873 O PHE A 120 2.785 5.092 -4.539 1.00 0.00 O ATOM 1874 CB PHE A 120 1.122 6.892 -6.736 1.00 0.00 C ATOM 1875 CG PHE A 120 0.243 8.093 -6.531 1.00 0.00 C ATOM 1876 CD1 PHE A 120 -1.084 8.073 -6.929 1.00 0.00 C ATOM 1877 CD2 PHE A 120 0.745 9.242 -5.941 1.00 0.00 C ATOM 1878 CE1 PHE A 120 -1.895 9.176 -6.742 1.00 0.00 C ATOM 1879 CE2 PHE A 120 -0.062 10.348 -5.751 1.00 0.00 C ATOM 1880 CZ PHE A 120 -1.383 10.315 -6.153 1.00 0.00 C ATOM 0 H PHE A 120 0.998 6.550 -3.847 1.00 0.00 H new ATOM 0 HA PHE A 120 0.062 5.095 -6.220 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.164 7.189 -6.616 1.00 0.00 H new ATOM 0 HB3 PHE A 120 1.007 6.538 -7.761 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.489 7.185 -7.391 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.778 9.274 -5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -2.928 9.147 -7.056 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.340 11.237 -5.289 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.015 11.179 -6.007 1.00 0.00 H new ATOM 1890 N PRO A 121 2.372 3.999 -6.465 1.00 0.00 N ATOM 1891 CA PRO A 121 3.549 3.129 -6.377 1.00 0.00 C ATOM 1892 C PRO A 121 4.852 3.895 -6.583 1.00 0.00 C ATOM 1893 O PRO A 121 4.843 5.060 -6.980 1.00 0.00 O ATOM 1894 CB PRO A 121 3.334 2.125 -7.512 1.00 0.00 C ATOM 1895 CG PRO A 121 2.467 2.839 -8.490 1.00 0.00 C ATOM 1896 CD PRO A 121 1.577 3.737 -7.676 1.00 0.00 C ATOM 0 HA PRO A 121 3.642 2.668 -5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 121 4.281 1.830 -7.964 1.00 0.00 H new ATOM 0 HB3 PRO A 121 2.856 1.215 -7.150 1.00 0.00 H new ATOM 0 HG2 PRO A 121 3.066 3.417 -9.193 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.878 2.134 -9.077 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.341 4.658 -8.209 1.00 0.00 H new ATOM 0 HD3 PRO A 121 0.629 3.254 -7.438 1.00 0.00 H new ATOM 1904 N PHE A 122 5.972 3.232 -6.311 1.00 0.00 N ATOM 1905 CA PHE A 122 7.283 3.851 -6.467 1.00 0.00 C ATOM 1906 C PHE A 122 7.731 3.818 -7.925 1.00 0.00 C ATOM 1907 O PHE A 122 8.342 4.764 -8.421 1.00 0.00 O ATOM 1908 CB PHE A 122 8.314 3.139 -5.588 1.00 0.00 C ATOM 1909 CG PHE A 122 8.786 1.832 -6.158 1.00 0.00 C ATOM 1910 CD1 PHE A 122 8.008 0.691 -6.047 1.00 0.00 C ATOM 1911 CD2 PHE A 122 10.008 1.745 -6.805 1.00 0.00 C ATOM 1912 CE1 PHE A 122 8.442 -0.513 -6.569 1.00 0.00 C ATOM 1913 CE2 PHE A 122 10.447 0.544 -7.330 1.00 0.00 C ATOM 1914 CZ PHE A 122 9.662 -0.586 -7.213 1.00 0.00 C ATOM 0 H PHE A 122 5.998 2.267 -5.982 1.00 0.00 H new ATOM 0 HA PHE A 122 7.205 4.892 -6.154 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.173 3.795 -5.445 1.00 0.00 H new ATOM 0 HB3 PHE A 122 7.880 2.962 -4.604 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.052 0.743 -5.547 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.625 2.626 -6.900 1.00 0.00 H new ATOM 0 HE1 PHE A 122 7.828 -1.396 -6.473 1.00 0.00 H new ATOM 0 HE2 PHE A 122 11.402 0.490 -7.831 1.00 0.00 H new ATOM 0 HZ PHE A 122 10.001 -1.525 -7.624 1.00 0.00 H new ATOM 1924 N LYS A 123 7.424 2.719 -8.607 1.00 0.00 N ATOM 1925 CA LYS A 123 7.793 2.560 -10.008 1.00 0.00 C ATOM 1926 C LYS A 123 7.020 3.536 -10.889 1.00 0.00 C ATOM 1927 O LYS A 123 7.465 3.885 -11.982 1.00 0.00 O ATOM 1928 CB LYS A 123 7.528 1.124 -10.466 1.00 0.00 C ATOM 1929 CG LYS A 123 8.581 0.133 -10.000 1.00 0.00 C ATOM 1930 CD LYS A 123 8.764 -0.998 -10.998 1.00 0.00 C ATOM 1931 CE LYS A 123 9.261 -2.265 -10.320 1.00 0.00 C ATOM 1932 NZ LYS A 123 9.356 -3.404 -11.275 1.00 0.00 N ATOM 0 H LYS A 123 6.920 1.925 -8.211 1.00 0.00 H new ATOM 0 HA LYS A 123 8.857 2.776 -10.104 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.553 0.807 -10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.477 1.102 -11.555 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.530 0.650 -9.857 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.292 -0.278 -9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.817 -1.200 -11.499 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.473 -0.694 -11.768 1.00 0.00 H new ATOM 0 HE2 LYS A 123 10.240 -2.080 -9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.587 -2.529 -9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 9.698 -4.249 -10.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.417 -3.597 -11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 10.019 -3.162 -12.039 1.00 0.00 H new ATOM 1946 N GLU A 124 5.862 3.973 -10.405 1.00 0.00 N ATOM 1947 CA GLU A 124 5.028 4.910 -11.149 1.00 0.00 C ATOM 1948 C GLU A 124 5.886 5.865 -11.974 1.00 0.00 C ATOM 1949 O GLU A 124 6.808 6.505 -11.468 1.00 0.00 O ATOM 1950 CB GLU A 124 4.136 5.704 -10.193 1.00 0.00 C ATOM 1951 CG GLU A 124 2.738 5.957 -10.733 1.00 0.00 C ATOM 1952 CD GLU A 124 2.034 7.095 -10.020 1.00 0.00 C ATOM 1953 OE1 GLU A 124 2.732 7.957 -9.446 1.00 0.00 O ATOM 1954 OE2 GLU A 124 0.786 7.123 -10.035 1.00 0.00 O ATOM 0 H GLU A 124 5.480 3.694 -9.501 1.00 0.00 H new ATOM 0 HA GLU A 124 4.398 4.336 -11.829 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.060 5.165 -9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.611 6.661 -9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.799 6.183 -11.798 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.144 5.048 -10.634 1.00 0.00 H new ATOM 1961 N PRO A 125 5.577 5.964 -13.275 1.00 0.00 N ATOM 1962 CA PRO A 125 6.308 6.839 -14.198 1.00 0.00 C ATOM 1963 C PRO A 125 6.049 8.316 -13.923 1.00 0.00 C ATOM 1964 O PRO A 125 4.973 8.691 -13.461 1.00 0.00 O ATOM 1965 CB PRO A 125 5.756 6.445 -15.570 1.00 0.00 C ATOM 1966 CG PRO A 125 4.400 5.897 -15.291 1.00 0.00 C ATOM 1967 CD PRO A 125 4.491 5.231 -13.946 1.00 0.00 C ATOM 0 HA PRO A 125 7.387 6.718 -14.107 1.00 0.00 H new ATOM 0 HB2 PRO A 125 5.705 7.305 -16.238 1.00 0.00 H new ATOM 0 HB3 PRO A 125 6.391 5.703 -16.054 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.652 6.690 -15.284 1.00 0.00 H new ATOM 0 HG3 PRO A 125 4.101 5.184 -16.060 1.00 0.00 H new ATOM 0 HD2 PRO A 125 3.554 5.308 -13.395 1.00 0.00 H new ATOM 0 HD3 PRO A 125 4.720 4.169 -14.038 1.00 0.00 H new