USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 559 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 81 ASN : amide:sc= -1.19 K(o=-1,f=-6.2!) USER MOD Set 1.2: A 82 THR OG1 : rot 60:sc= 0.159 USER MOD Set 2.1: A 32 ASN : amide:sc= 0 X(o=-0.73,f=-0.86) USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= -0.734 F(o=-2.1,f=-0.73) USER MOD Set 3.1: A 22 THR OG1 : rot 59:sc= 1.29 USER MOD Set 3.2: A 69 ASN : amide:sc= 2 K(o=3.3,f=-2.9!) USER MOD Single : A 23 ASN : amide:sc= 0.785 K(o=0.78,f=-5!) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0384 F(o=-1.7,f=-0.038) USER MOD Single : A 33 MET CE :methyl 155:sc= -3.86! (180deg=-4.59!) USER MOD Single : A 34 THR OG1 : rot -151:sc= -1.22 USER MOD Single : A 35 GLN :FLIP amide:sc= -4.31! C(o=-5.8!,f=-4.3!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -38:sc= 0.0399 USER MOD Single : A 44 SER OG : rot -99:sc= 1.18 USER MOD Single : A 50 SER OG : rot -105:sc= 1.28 USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= -0.0155 (180deg=-0.17) USER MOD Single : A 62 SER OG : rot 26:sc= 0.105 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -167:sc= -1.13 USER MOD Single : A 72 THR OG1 : rot -179:sc= 0.448 USER MOD Single : A 74 LYS NZ :NH3+ -154:sc= 0.918 (180deg=-0.0224) USER MOD Single : A 84 ASN : amide:sc= -4.91! C(o=-4.9!,f=-6.7!) USER MOD Single : A 90 SER OG : rot -41:sc= 0.00819 USER MOD Single : A 91 LYS NZ :NH3+ -153:sc= -4.62! (180deg=-5.77!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.00493 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 1:sc= 0.383 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 22 8.062 -3.304 5.906 1.00 0.00 N ATOM 302 CA THR A 22 7.131 -4.339 5.525 1.00 0.00 C ATOM 303 C THR A 22 5.773 -3.698 5.298 1.00 0.00 C ATOM 304 O THR A 22 4.885 -4.254 4.658 1.00 0.00 O ATOM 305 CB THR A 22 7.043 -5.406 6.629 1.00 0.00 C ATOM 306 OG1 THR A 22 6.880 -4.766 7.903 1.00 0.00 O ATOM 307 CG2 THR A 22 8.296 -6.265 6.656 1.00 0.00 C ATOM 0 HA THR A 22 7.467 -4.828 4.611 1.00 0.00 H new ATOM 0 HB THR A 22 6.186 -6.047 6.420 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.063 -4.225 7.895 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.208 -7.012 7.445 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.415 -6.765 5.695 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.165 -5.635 6.847 1.00 0.00 H new ATOM 315 N ASN A 23 5.659 -2.498 5.843 1.00 0.00 N ATOM 316 CA ASN A 23 4.487 -1.659 5.706 1.00 0.00 C ATOM 317 C ASN A 23 4.336 -1.178 4.278 1.00 0.00 C ATOM 318 O ASN A 23 5.249 -0.565 3.719 1.00 0.00 O ATOM 319 CB ASN A 23 4.599 -0.423 6.607 1.00 0.00 C ATOM 320 CG ASN A 23 6.009 0.136 6.741 1.00 0.00 C ATOM 321 OD1 ASN A 23 7.001 -0.591 6.835 1.00 0.00 O ATOM 322 ND2 ASN A 23 6.107 1.450 6.745 1.00 0.00 N ATOM 0 H ASN A 23 6.397 -2.074 6.405 1.00 0.00 H new ATOM 0 HA ASN A 23 3.624 -2.259 5.994 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.948 0.358 6.213 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.227 -0.678 7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.022 1.893 6.827 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.268 2.024 6.666 1.00 0.00 H new ATOM 329 N LEU A 24 3.186 -1.423 3.696 1.00 0.00 N ATOM 330 CA LEU A 24 2.932 -0.994 2.340 1.00 0.00 C ATOM 331 C LEU A 24 1.682 -0.136 2.265 1.00 0.00 C ATOM 332 O LEU A 24 0.570 -0.603 2.498 1.00 0.00 O ATOM 333 CB LEU A 24 2.805 -2.207 1.425 1.00 0.00 C ATOM 334 CG LEU A 24 3.696 -2.192 0.189 1.00 0.00 C ATOM 335 CD1 LEU A 24 5.157 -2.039 0.571 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.506 -3.464 -0.593 1.00 0.00 C ATOM 0 H LEU A 24 2.411 -1.917 4.139 1.00 0.00 H new ATOM 0 HA LEU A 24 3.774 -0.387 2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.031 -3.102 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.767 -2.290 1.102 1.00 0.00 H new ATOM 0 HG LEU A 24 3.411 -1.338 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.770 -2.031 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.296 -1.103 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.456 -2.873 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.146 -3.448 -1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.771 -4.318 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.464 -3.549 -0.902 1.00 0.00 H new ATOM 348 N ILE A 25 1.884 1.130 1.951 1.00 0.00 N ATOM 349 CA ILE A 25 0.791 2.041 1.718 1.00 0.00 C ATOM 350 C ILE A 25 0.268 1.817 0.307 1.00 0.00 C ATOM 351 O ILE A 25 1.036 1.758 -0.655 1.00 0.00 O ATOM 352 CB ILE A 25 1.215 3.517 1.901 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.022 4.415 1.881 1.00 0.00 C ATOM 354 CG2 ILE A 25 2.236 3.939 0.848 1.00 0.00 C ATOM 355 CD1 ILE A 25 0.286 5.896 1.871 1.00 0.00 C ATOM 0 H ILE A 25 2.808 1.550 1.852 1.00 0.00 H new ATOM 0 HA ILE A 25 0.010 1.842 2.452 1.00 0.00 H new ATOM 0 HB ILE A 25 1.704 3.624 2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.618 4.173 1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.635 4.189 2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.512 4.982 1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.124 3.312 0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.802 3.825 -0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.646 6.461 1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.854 6.155 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.872 6.140 0.985 1.00 0.00 H new ATOM 367 N VAL A 26 -1.022 1.638 0.189 1.00 0.00 N ATOM 368 CA VAL A 26 -1.618 1.381 -1.101 1.00 0.00 C ATOM 369 C VAL A 26 -2.626 2.454 -1.423 1.00 0.00 C ATOM 370 O VAL A 26 -3.692 2.524 -0.818 1.00 0.00 O ATOM 371 CB VAL A 26 -2.296 0.010 -1.143 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.681 -0.348 -2.571 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.371 -1.031 -0.557 1.00 0.00 C ATOM 0 H VAL A 26 -1.681 1.665 0.967 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.821 1.388 -1.844 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.209 0.042 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.162 -1.326 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.371 0.401 -2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.786 -0.376 -3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.856 -2.007 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.448 -1.066 -1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.141 -0.773 0.477 1.00 0.00 H new ATOM 383 N ASN A 27 -2.274 3.296 -2.361 1.00 0.00 N ATOM 384 CA ASN A 27 -3.137 4.378 -2.774 1.00 0.00 C ATOM 385 C ASN A 27 -3.977 3.918 -3.939 1.00 0.00 C ATOM 386 O ASN A 27 -3.797 2.801 -4.432 1.00 0.00 O ATOM 387 CB ASN A 27 -2.316 5.591 -3.202 1.00 0.00 C ATOM 388 CG ASN A 27 -2.834 6.886 -2.613 1.00 0.00 C ATOM 389 OD1 ASN A 27 -3.759 7.502 -3.145 1.00 0.00 O ATOM 390 ND2 ASN A 27 -2.213 7.319 -1.529 1.00 0.00 N ATOM 0 H ASN A 27 -1.385 3.253 -2.859 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.771 4.662 -1.934 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.279 5.448 -2.898 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.323 5.663 -4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.495 8.199 -1.097 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.452 6.773 -1.125 1.00 0.00 H new ATOM 397 N TYR A 28 -4.875 4.780 -4.384 1.00 0.00 N ATOM 398 CA TYR A 28 -5.667 4.516 -5.575 1.00 0.00 C ATOM 399 C TYR A 28 -6.515 3.257 -5.402 1.00 0.00 C ATOM 400 O TYR A 28 -6.678 2.475 -6.333 1.00 0.00 O ATOM 401 CB TYR A 28 -4.730 4.388 -6.780 1.00 0.00 C ATOM 402 CG TYR A 28 -3.865 5.604 -7.012 1.00 0.00 C ATOM 403 CD1 TYR A 28 -4.360 6.735 -7.643 1.00 0.00 C ATOM 404 CD2 TYR A 28 -2.545 5.610 -6.595 1.00 0.00 C ATOM 405 CE1 TYR A 28 -3.556 7.840 -7.851 1.00 0.00 C ATOM 406 CE2 TYR A 28 -1.731 6.704 -6.795 1.00 0.00 C ATOM 407 CZ TYR A 28 -2.242 7.820 -7.425 1.00 0.00 C ATOM 408 OH TYR A 28 -1.439 8.916 -7.634 1.00 0.00 O ATOM 0 H TYR A 28 -5.075 5.674 -3.936 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.354 5.346 -5.741 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.088 3.519 -6.638 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.326 4.202 -7.674 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.387 6.753 -7.976 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.144 4.737 -6.102 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.953 8.715 -8.344 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.704 6.688 -6.462 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.545 8.740 -7.274 1.00 0.00 H new ATOM 418 N LEU A 29 -7.055 3.078 -4.207 1.00 0.00 N ATOM 419 CA LEU A 29 -7.961 1.971 -3.938 1.00 0.00 C ATOM 420 C LEU A 29 -9.361 2.323 -4.416 1.00 0.00 C ATOM 421 O LEU A 29 -9.767 3.489 -4.366 1.00 0.00 O ATOM 422 CB LEU A 29 -8.008 1.652 -2.439 1.00 0.00 C ATOM 423 CG LEU A 29 -6.686 1.211 -1.813 1.00 0.00 C ATOM 424 CD1 LEU A 29 -6.920 0.666 -0.413 1.00 0.00 C ATOM 425 CD2 LEU A 29 -6.004 0.170 -2.679 1.00 0.00 C ATOM 0 H LEU A 29 -6.882 3.686 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.594 1.095 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.362 2.536 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.746 0.866 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.032 2.080 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.969 0.356 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.367 1.441 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.592 -0.191 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.064 -0.130 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.653 -0.700 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.804 0.591 -3.664 1.00 0.00 H new ATOM 437 N PRO A 30 -10.116 1.325 -4.901 1.00 0.00 N ATOM 438 CA PRO A 30 -11.508 1.521 -5.287 1.00 0.00 C ATOM 439 C PRO A 30 -12.312 2.068 -4.122 1.00 0.00 C ATOM 440 O PRO A 30 -12.228 1.555 -3.006 1.00 0.00 O ATOM 441 CB PRO A 30 -12.001 0.125 -5.661 1.00 0.00 C ATOM 442 CG PRO A 30 -10.773 -0.669 -5.928 1.00 0.00 C ATOM 443 CD PRO A 30 -9.672 -0.062 -5.103 1.00 0.00 C ATOM 0 HA PRO A 30 -11.614 2.235 -6.104 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.585 -0.315 -4.853 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.646 0.158 -6.539 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.924 -1.715 -5.661 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.520 -0.644 -6.988 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.547 -0.585 -4.155 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.713 -0.105 -5.620 1.00 0.00 H new ATOM 451 N GLN A 31 -13.104 3.086 -4.394 1.00 0.00 N ATOM 452 CA GLN A 31 -13.793 3.829 -3.348 1.00 0.00 C ATOM 453 C GLN A 31 -14.839 2.975 -2.626 1.00 0.00 C ATOM 454 O GLN A 31 -15.380 3.381 -1.598 1.00 0.00 O ATOM 455 CB GLN A 31 -14.431 5.074 -3.953 1.00 0.00 C ATOM 456 CG GLN A 31 -13.415 6.020 -4.576 1.00 0.00 C ATOM 457 CD GLN A 31 -12.525 6.674 -3.541 1.00 0.00 C ATOM 458 OE1 GLN A 31 -11.380 6.066 -3.280 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -12.854 7.728 -2.995 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.290 3.423 -5.339 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.059 4.122 -2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.152 4.773 -4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.986 5.604 -3.179 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.798 5.470 -5.286 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.939 6.791 -5.140 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.747 8.165 -3.225 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.234 8.164 -2.313 1.00 0.00 H new ATOM 468 N ASN A 32 -15.109 1.788 -3.155 1.00 0.00 N ATOM 469 CA ASN A 32 -16.078 0.885 -2.551 1.00 0.00 C ATOM 470 C ASN A 32 -15.416 -0.398 -2.048 1.00 0.00 C ATOM 471 O ASN A 32 -16.096 -1.306 -1.568 1.00 0.00 O ATOM 472 CB ASN A 32 -17.171 0.527 -3.560 1.00 0.00 C ATOM 473 CG ASN A 32 -16.640 -0.253 -4.750 1.00 0.00 C ATOM 474 OD1 ASN A 32 -16.547 -1.480 -4.715 1.00 0.00 O ATOM 475 ND2 ASN A 32 -16.296 0.453 -5.815 1.00 0.00 N ATOM 0 H ASN A 32 -14.669 1.429 -4.002 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.517 1.403 -1.699 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.942 -0.060 -3.061 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.646 1.442 -3.914 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.939 -0.019 -6.646 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.388 1.469 -5.805 1.00 0.00 H new ATOM 482 N MET A 33 -14.094 -0.477 -2.145 1.00 0.00 N ATOM 483 CA MET A 33 -13.386 -1.703 -1.792 1.00 0.00 C ATOM 484 C MET A 33 -13.263 -1.850 -0.277 1.00 0.00 C ATOM 485 O MET A 33 -13.517 -0.906 0.470 1.00 0.00 O ATOM 486 CB MET A 33 -12.003 -1.713 -2.429 1.00 0.00 C ATOM 487 CG MET A 33 -11.639 -3.057 -3.030 1.00 0.00 C ATOM 488 SD MET A 33 -10.002 -3.080 -3.780 1.00 0.00 S ATOM 489 CE MET A 33 -8.996 -2.387 -2.470 1.00 0.00 C ATOM 0 H MET A 33 -13.495 0.285 -2.462 1.00 0.00 H new ATOM 0 HA MET A 33 -13.962 -2.547 -2.172 1.00 0.00 H new ATOM 0 HB2 MET A 33 -11.961 -0.950 -3.206 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.261 -1.444 -1.678 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.686 -3.820 -2.253 1.00 0.00 H new ATOM 0 HG3 MET A 33 -12.380 -3.323 -3.783 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.968 -2.731 -2.580 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.023 -1.299 -2.527 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.384 -2.709 -1.504 1.00 0.00 H new ATOM 499 N THR A 34 -12.875 -3.040 0.167 1.00 0.00 N ATOM 500 CA THR A 34 -12.802 -3.344 1.589 1.00 0.00 C ATOM 501 C THR A 34 -11.380 -3.687 2.002 1.00 0.00 C ATOM 502 O THR A 34 -10.508 -3.849 1.143 1.00 0.00 O ATOM 503 CB THR A 34 -13.712 -4.536 1.938 1.00 0.00 C ATOM 504 OG1 THR A 34 -13.163 -5.743 1.398 1.00 0.00 O ATOM 505 CG2 THR A 34 -15.098 -4.327 1.366 1.00 0.00 C ATOM 0 H THR A 34 -12.605 -3.813 -0.442 1.00 0.00 H new ATOM 0 HA THR A 34 -13.133 -2.455 2.126 1.00 0.00 H new ATOM 0 HB THR A 34 -13.777 -4.612 3.023 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.888 -6.373 1.203 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.729 -5.178 1.621 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.530 -3.417 1.782 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.034 -4.235 0.282 1.00 0.00 H new ATOM 513 N GLN A 35 -11.145 -3.793 3.309 1.00 0.00 N ATOM 514 CA GLN A 35 -9.869 -4.289 3.806 1.00 0.00 C ATOM 515 C GLN A 35 -9.594 -5.645 3.212 1.00 0.00 C ATOM 516 O GLN A 35 -8.518 -5.891 2.709 1.00 0.00 O ATOM 517 CB GLN A 35 -9.841 -4.439 5.328 1.00 0.00 C ATOM 518 CG GLN A 35 -10.061 -3.159 6.104 1.00 0.00 C ATOM 519 CD GLN A 35 -11.504 -2.680 6.089 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.443 -3.613 6.016 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -11.772 -1.484 6.145 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.817 -3.544 4.035 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.116 -3.555 3.517 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.606 -5.159 5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.879 -4.861 5.618 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.748 -3.312 7.137 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.423 -2.378 5.690 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.022 -0.795 6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.745 -1.178 6.136 1.00 0.00 H new ATOM 530 N ASP A 36 -10.602 -6.501 3.252 1.00 0.00 N ATOM 531 CA ASP A 36 -10.474 -7.888 2.815 1.00 0.00 C ATOM 532 C ASP A 36 -10.002 -7.971 1.369 1.00 0.00 C ATOM 533 O ASP A 36 -9.210 -8.838 1.020 1.00 0.00 O ATOM 534 CB ASP A 36 -11.818 -8.599 2.967 1.00 0.00 C ATOM 535 CG ASP A 36 -11.748 -10.066 2.586 1.00 0.00 C ATOM 536 OD1 ASP A 36 -11.251 -10.874 3.399 1.00 0.00 O ATOM 537 OD2 ASP A 36 -12.207 -10.422 1.481 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.534 -6.257 3.588 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.727 -8.377 3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.157 -8.511 3.999 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.561 -8.101 2.344 1.00 0.00 H new ATOM 542 N GLU A 37 -10.475 -7.054 0.539 1.00 0.00 N ATOM 543 CA GLU A 37 -10.070 -7.003 -0.859 1.00 0.00 C ATOM 544 C GLU A 37 -8.633 -6.505 -0.972 1.00 0.00 C ATOM 545 O GLU A 37 -7.797 -7.119 -1.638 1.00 0.00 O ATOM 546 CB GLU A 37 -10.997 -6.071 -1.631 1.00 0.00 C ATOM 547 CG GLU A 37 -12.470 -6.435 -1.514 1.00 0.00 C ATOM 548 CD GLU A 37 -12.869 -7.572 -2.430 1.00 0.00 C ATOM 549 OE1 GLU A 37 -12.503 -8.733 -2.147 1.00 0.00 O ATOM 550 OE2 GLU A 37 -13.563 -7.310 -3.432 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.142 -6.332 0.810 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.132 -8.006 -1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.854 -5.052 -1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.712 -6.080 -2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.690 -6.711 -0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.075 -5.559 -1.746 1.00 0.00 H new ATOM 557 N LEU A 38 -8.360 -5.392 -0.298 1.00 0.00 N ATOM 558 CA LEU A 38 -7.026 -4.809 -0.239 1.00 0.00 C ATOM 559 C LEU A 38 -6.048 -5.829 0.359 1.00 0.00 C ATOM 560 O LEU A 38 -4.903 -5.954 -0.063 1.00 0.00 O ATOM 561 CB LEU A 38 -7.111 -3.506 0.597 1.00 0.00 C ATOM 562 CG LEU A 38 -5.817 -2.711 0.802 1.00 0.00 C ATOM 563 CD1 LEU A 38 -5.077 -3.197 2.031 1.00 0.00 C ATOM 564 CD2 LEU A 38 -4.941 -2.797 -0.432 1.00 0.00 C ATOM 0 H LEU A 38 -9.062 -4.868 0.225 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.654 -4.558 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.838 -2.848 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.508 -3.762 1.579 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.076 -1.664 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.162 -2.619 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.709 -3.072 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.827 -4.251 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.026 -2.227 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.689 -3.839 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.477 -2.387 -1.288 1.00 0.00 H new ATOM 576 N ARG A 39 -6.546 -6.582 1.316 1.00 0.00 N ATOM 577 CA ARG A 39 -5.776 -7.586 2.023 1.00 0.00 C ATOM 578 C ARG A 39 -5.564 -8.821 1.139 1.00 0.00 C ATOM 579 O ARG A 39 -4.469 -9.376 1.095 1.00 0.00 O ATOM 580 CB ARG A 39 -6.531 -7.945 3.315 1.00 0.00 C ATOM 581 CG ARG A 39 -5.712 -8.624 4.397 1.00 0.00 C ATOM 582 CD ARG A 39 -5.424 -10.068 4.062 1.00 0.00 C ATOM 583 NE ARG A 39 -4.758 -10.763 5.161 1.00 0.00 N ATOM 584 CZ ARG A 39 -4.474 -12.061 5.162 1.00 0.00 C ATOM 585 NH1 ARG A 39 -4.844 -12.829 4.143 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -3.839 -12.597 6.197 1.00 0.00 N ATOM 0 H ARG A 39 -7.514 -6.514 1.631 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.788 -7.199 2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.957 -7.031 3.729 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.365 -8.597 3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.772 -8.088 4.531 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.248 -8.571 5.345 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.357 -10.578 3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.798 -10.115 3.171 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.494 -10.216 5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.348 -12.423 3.355 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.624 -13.825 4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.570 -12.013 6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.620 -13.593 6.201 1.00 0.00 H new ATOM 600 N SER A 40 -6.610 -9.235 0.425 1.00 0.00 N ATOM 601 CA SER A 40 -6.550 -10.431 -0.415 1.00 0.00 C ATOM 602 C SER A 40 -5.624 -10.225 -1.609 1.00 0.00 C ATOM 603 O SER A 40 -4.846 -11.108 -1.960 1.00 0.00 O ATOM 604 CB SER A 40 -7.952 -10.808 -0.903 1.00 0.00 C ATOM 605 OG SER A 40 -7.916 -11.953 -1.738 1.00 0.00 O ATOM 0 H SER A 40 -7.512 -8.758 0.411 1.00 0.00 H new ATOM 0 HA SER A 40 -6.149 -11.243 0.191 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.598 -11.000 -0.046 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.387 -9.971 -1.449 1.00 0.00 H new ATOM 0 HG SER A 40 -8.825 -12.171 -2.033 1.00 0.00 H new ATOM 611 N LEU A 41 -5.714 -9.057 -2.226 1.00 0.00 N ATOM 612 CA LEU A 41 -4.886 -8.722 -3.372 1.00 0.00 C ATOM 613 C LEU A 41 -3.414 -8.757 -2.993 1.00 0.00 C ATOM 614 O LEU A 41 -2.575 -9.194 -3.769 1.00 0.00 O ATOM 615 CB LEU A 41 -5.303 -7.345 -3.888 1.00 0.00 C ATOM 616 CG LEU A 41 -4.843 -6.964 -5.296 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.670 -6.004 -5.237 1.00 0.00 C ATOM 618 CD2 LEU A 41 -4.485 -8.199 -6.118 1.00 0.00 C ATOM 0 H LEU A 41 -6.360 -8.318 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.028 -9.455 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.391 -7.288 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.926 -6.594 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.675 -6.463 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.359 -5.746 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.967 -5.099 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.840 -6.476 -4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.162 -7.893 -7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.678 -8.742 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.359 -8.845 -6.203 1.00 0.00 H new ATOM 630 N PHE A 42 -3.102 -8.318 -1.798 1.00 0.00 N ATOM 631 CA PHE A 42 -1.738 -8.389 -1.316 1.00 0.00 C ATOM 632 C PHE A 42 -1.422 -9.778 -0.782 1.00 0.00 C ATOM 633 O PHE A 42 -0.269 -10.202 -0.742 1.00 0.00 O ATOM 634 CB PHE A 42 -1.491 -7.286 -0.299 1.00 0.00 C ATOM 635 CG PHE A 42 -1.370 -5.959 -0.980 1.00 0.00 C ATOM 636 CD1 PHE A 42 -2.480 -5.362 -1.561 1.00 0.00 C ATOM 637 CD2 PHE A 42 -0.141 -5.330 -1.091 1.00 0.00 C ATOM 638 CE1 PHE A 42 -2.365 -4.173 -2.232 1.00 0.00 C ATOM 639 CE2 PHE A 42 -0.027 -4.132 -1.758 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.140 -3.561 -2.329 1.00 0.00 C ATOM 0 H PHE A 42 -3.768 -7.909 -1.142 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.049 -8.222 -2.144 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.309 -7.258 0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.580 -7.498 0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.445 -5.840 -1.483 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.735 -5.783 -0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.235 -3.719 -2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.933 -3.642 -1.833 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.050 -2.624 -2.858 1.00 0.00 H new ATOM 650 N SER A 43 -2.460 -10.511 -0.418 1.00 0.00 N ATOM 651 CA SER A 43 -2.306 -11.907 -0.057 1.00 0.00 C ATOM 652 C SER A 43 -2.009 -12.726 -1.317 1.00 0.00 C ATOM 653 O SER A 43 -1.605 -13.886 -1.237 1.00 0.00 O ATOM 654 CB SER A 43 -3.569 -12.428 0.633 1.00 0.00 C ATOM 655 OG SER A 43 -3.373 -13.732 1.155 1.00 0.00 O ATOM 0 H SER A 43 -3.417 -10.162 -0.365 1.00 0.00 H new ATOM 0 HA SER A 43 -1.475 -12.006 0.642 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.851 -11.750 1.439 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.395 -12.439 -0.078 1.00 0.00 H new ATOM 0 HG SER A 43 -2.815 -14.251 0.538 1.00 0.00 H new ATOM 661 N SER A 44 -2.220 -12.112 -2.484 1.00 0.00 N ATOM 662 CA SER A 44 -1.919 -12.756 -3.753 1.00 0.00 C ATOM 663 C SER A 44 -0.412 -12.745 -3.980 1.00 0.00 C ATOM 664 O SER A 44 0.146 -13.635 -4.624 1.00 0.00 O ATOM 665 CB SER A 44 -2.646 -12.054 -4.911 1.00 0.00 C ATOM 666 OG SER A 44 -1.875 -10.990 -5.444 1.00 0.00 O ATOM 0 H SER A 44 -2.599 -11.169 -2.570 1.00 0.00 H new ATOM 0 HA SER A 44 -2.270 -13.787 -3.719 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.862 -12.777 -5.698 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.604 -11.670 -4.560 1.00 0.00 H new ATOM 0 HG SER A 44 -2.192 -10.139 -5.075 1.00 0.00 H new ATOM 672 N ILE A 45 0.236 -11.712 -3.452 1.00 0.00 N ATOM 673 CA ILE A 45 1.689 -11.641 -3.443 1.00 0.00 C ATOM 674 C ILE A 45 2.261 -12.698 -2.513 1.00 0.00 C ATOM 675 O ILE A 45 3.170 -13.430 -2.882 1.00 0.00 O ATOM 676 CB ILE A 45 2.178 -10.237 -3.012 1.00 0.00 C ATOM 677 CG1 ILE A 45 1.968 -9.247 -4.150 1.00 0.00 C ATOM 678 CG2 ILE A 45 3.648 -10.252 -2.595 1.00 0.00 C ATOM 679 CD1 ILE A 45 2.999 -9.369 -5.234 1.00 0.00 C ATOM 0 H ILE A 45 -0.226 -10.910 -3.023 1.00 0.00 H new ATOM 0 HA ILE A 45 2.041 -11.828 -4.458 1.00 0.00 H new ATOM 0 HB ILE A 45 1.593 -9.930 -2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.978 -9.401 -4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.988 -8.233 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.953 -9.248 -2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.781 -10.933 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.260 -10.585 -3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.794 -8.637 -6.015 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.989 -9.187 -4.817 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.963 -10.372 -5.659 1.00 0.00 H new ATOM 691 N GLY A 46 1.695 -12.805 -1.326 1.00 0.00 N ATOM 692 CA GLY A 46 2.216 -13.737 -0.351 1.00 0.00 C ATOM 693 C GLY A 46 1.439 -13.700 0.942 1.00 0.00 C ATOM 694 O GLY A 46 0.253 -14.028 0.971 1.00 0.00 O ATOM 0 H GLY A 46 0.886 -12.265 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.186 -14.746 -0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.262 -13.505 -0.151 1.00 0.00 H new ATOM 698 N GLU A 47 2.095 -13.293 2.013 1.00 0.00 N ATOM 699 CA GLU A 47 1.448 -13.249 3.309 1.00 0.00 C ATOM 700 C GLU A 47 1.439 -11.855 3.885 1.00 0.00 C ATOM 701 O GLU A 47 2.476 -11.210 4.050 1.00 0.00 O ATOM 702 CB GLU A 47 2.094 -14.225 4.277 1.00 0.00 C ATOM 703 CG GLU A 47 1.576 -15.633 4.106 1.00 0.00 C ATOM 704 CD GLU A 47 2.340 -16.635 4.933 1.00 0.00 C ATOM 705 OE1 GLU A 47 3.259 -17.280 4.395 1.00 0.00 O ATOM 706 OE2 GLU A 47 2.024 -16.781 6.131 1.00 0.00 O1- ATOM 0 H GLU A 47 3.069 -12.990 2.011 1.00 0.00 H new ATOM 0 HA GLU A 47 0.411 -13.550 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.174 -14.218 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.910 -13.895 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.523 -15.665 4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.637 -15.913 3.054 1.00 0.00 H new ATOM 713 N VAL A 48 0.244 -11.423 4.207 1.00 0.00 N ATOM 714 CA VAL A 48 0.008 -10.090 4.715 1.00 0.00 C ATOM 715 C VAL A 48 -0.193 -10.127 6.206 1.00 0.00 C ATOM 716 O VAL A 48 -1.096 -10.782 6.722 1.00 0.00 O ATOM 717 CB VAL A 48 -1.210 -9.445 4.026 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.596 -8.136 4.696 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.920 -9.235 2.551 1.00 0.00 C ATOM 0 H VAL A 48 -0.600 -11.990 4.124 1.00 0.00 H new ATOM 0 HA VAL A 48 0.885 -9.482 4.493 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.058 -10.122 4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.458 -7.707 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.847 -8.322 5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.759 -7.439 4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.786 -8.779 2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.056 -8.580 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.709 -10.196 2.081 1.00 0.00 H new ATOM 729 N GLU A 49 0.687 -9.417 6.878 1.00 0.00 N ATOM 730 CA GLU A 49 0.690 -9.335 8.305 1.00 0.00 C ATOM 731 C GLU A 49 -0.575 -8.641 8.794 1.00 0.00 C ATOM 732 O GLU A 49 -1.259 -9.130 9.693 1.00 0.00 O ATOM 733 CB GLU A 49 1.926 -8.593 8.741 1.00 0.00 C ATOM 734 CG GLU A 49 2.169 -8.666 10.225 1.00 0.00 C ATOM 735 CD GLU A 49 1.431 -7.605 11.021 1.00 0.00 C ATOM 736 OE1 GLU A 49 1.380 -6.442 10.574 1.00 0.00 O ATOM 737 OE2 GLU A 49 0.897 -7.930 12.100 1.00 0.00 O1- ATOM 0 H GLU A 49 1.428 -8.876 6.433 1.00 0.00 H new ATOM 0 HA GLU A 49 0.703 -10.334 8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.791 -9.001 8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.838 -7.548 8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.869 -9.650 10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.238 -8.570 10.414 1.00 0.00 H new ATOM 744 N SER A 50 -0.881 -7.503 8.181 1.00 0.00 N ATOM 745 CA SER A 50 -2.101 -6.766 8.491 1.00 0.00 C ATOM 746 C SER A 50 -2.409 -5.769 7.381 1.00 0.00 C ATOM 747 O SER A 50 -1.539 -5.005 6.974 1.00 0.00 O ATOM 748 CB SER A 50 -1.954 -6.031 9.826 1.00 0.00 C ATOM 749 OG SER A 50 -0.817 -5.182 9.818 1.00 0.00 O ATOM 0 H SER A 50 -0.299 -7.069 7.464 1.00 0.00 H new ATOM 0 HA SER A 50 -2.925 -7.476 8.569 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.850 -5.442 10.021 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.866 -6.755 10.636 1.00 0.00 H new ATOM 0 HG SER A 50 -0.101 -5.589 10.349 1.00 0.00 H new ATOM 755 N ALA A 51 -3.634 -5.778 6.883 1.00 0.00 N ATOM 756 CA ALA A 51 -4.018 -4.835 5.851 1.00 0.00 C ATOM 757 C ALA A 51 -5.151 -3.945 6.316 1.00 0.00 C ATOM 758 O ALA A 51 -6.225 -4.416 6.688 1.00 0.00 O ATOM 759 CB ALA A 51 -4.383 -5.543 4.560 1.00 0.00 C ATOM 0 H ALA A 51 -4.371 -6.421 7.174 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.153 -4.203 5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.666 -4.806 3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.526 -6.114 4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.220 -6.218 4.739 1.00 0.00 H new ATOM 765 N LYS A 52 -4.890 -2.654 6.306 1.00 0.00 N ATOM 766 CA LYS A 52 -5.854 -1.669 6.726 1.00 0.00 C ATOM 767 C LYS A 52 -6.415 -0.948 5.515 1.00 0.00 C ATOM 768 O LYS A 52 -5.667 -0.547 4.625 1.00 0.00 O ATOM 769 CB LYS A 52 -5.175 -0.663 7.646 1.00 0.00 C ATOM 770 CG LYS A 52 -6.101 0.406 8.183 1.00 0.00 C ATOM 771 CD LYS A 52 -5.302 1.603 8.639 1.00 0.00 C ATOM 772 CE LYS A 52 -4.434 1.280 9.842 1.00 0.00 C ATOM 773 NZ LYS A 52 -5.237 0.933 11.043 1.00 0.00 N1+ ATOM 0 H LYS A 52 -3.998 -2.261 6.004 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.668 -2.163 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.729 -1.197 8.485 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.360 -0.184 7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.810 0.705 7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.683 0.009 9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.673 1.952 7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.981 2.418 8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.773 0.448 9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.798 2.136 10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.628 0.953 11.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.008 1.622 11.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.638 -0.020 10.929 1.00 0.00 H new ATOM 787 N LEU A 53 -7.719 -0.793 5.484 1.00 0.00 N ATOM 788 CA LEU A 53 -8.359 0.006 4.464 1.00 0.00 C ATOM 789 C LEU A 53 -8.794 1.306 5.084 1.00 0.00 C ATOM 790 O LEU A 53 -9.345 1.318 6.186 1.00 0.00 O ATOM 791 CB LEU A 53 -9.575 -0.700 3.876 1.00 0.00 C ATOM 792 CG LEU A 53 -10.402 0.153 2.919 1.00 0.00 C ATOM 793 CD1 LEU A 53 -10.062 -0.189 1.482 1.00 0.00 C ATOM 794 CD2 LEU A 53 -11.886 -0.037 3.181 1.00 0.00 C ATOM 0 H LEU A 53 -8.360 -1.212 6.157 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.648 0.174 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.241 -1.594 3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.216 -1.032 4.692 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.159 1.202 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.660 0.427 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.004 0.001 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.278 -1.241 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.460 0.579 2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.150 -1.085 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.115 0.258 4.205 1.00 0.00 H new ATOM 806 N ILE A 54 -8.539 2.395 4.405 1.00 0.00 N ATOM 807 CA ILE A 54 -8.958 3.672 4.913 1.00 0.00 C ATOM 808 C ILE A 54 -10.328 4.007 4.370 1.00 0.00 C ATOM 809 O ILE A 54 -10.513 4.182 3.163 1.00 0.00 O ATOM 810 CB ILE A 54 -7.972 4.789 4.566 1.00 0.00 C ATOM 811 CG1 ILE A 54 -6.553 4.426 5.021 1.00 0.00 C ATOM 812 CG2 ILE A 54 -8.421 6.100 5.195 1.00 0.00 C ATOM 813 CD1 ILE A 54 -6.450 3.974 6.464 1.00 0.00 C ATOM 0 H ILE A 54 -8.050 2.422 3.511 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.992 3.599 6.000 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.955 4.911 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.171 3.634 4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.907 5.292 4.878 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.711 6.887 4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.408 6.366 4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.465 5.987 6.278 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.412 3.738 6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.798 4.771 7.121 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.066 3.087 6.612 1.00 0.00 H new ATOM 934 N SER A 62 -14.482 4.011 0.991 1.00 0.00 N ATOM 935 CA SER A 62 -13.030 4.057 1.042 1.00 0.00 C ATOM 936 C SER A 62 -12.545 5.432 0.602 1.00 0.00 C ATOM 937 O SER A 62 -13.148 6.064 -0.264 1.00 0.00 O ATOM 938 CB SER A 62 -12.421 2.968 0.154 1.00 0.00 C ATOM 939 OG SER A 62 -11.008 2.957 0.257 1.00 0.00 O ATOM 0 HA SER A 62 -12.709 3.875 2.068 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.817 1.995 0.443 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.712 3.135 -0.883 1.00 0.00 H new ATOM 0 HG SER A 62 -10.741 3.321 1.127 1.00 0.00 H new ATOM 945 N LEU A 63 -11.468 5.896 1.216 1.00 0.00 N ATOM 946 CA LEU A 63 -10.948 7.221 0.933 1.00 0.00 C ATOM 947 C LEU A 63 -9.835 7.158 -0.105 1.00 0.00 C ATOM 948 O LEU A 63 -9.226 8.171 -0.445 1.00 0.00 O ATOM 949 CB LEU A 63 -10.467 7.887 2.222 1.00 0.00 C ATOM 950 CG LEU A 63 -11.537 8.007 3.313 1.00 0.00 C ATOM 951 CD1 LEU A 63 -11.005 8.763 4.516 1.00 0.00 C ATOM 952 CD2 LEU A 63 -12.787 8.686 2.768 1.00 0.00 C ATOM 0 H LEU A 63 -10.938 5.373 1.913 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.752 7.828 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.625 7.319 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.095 8.884 1.984 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.802 7.000 3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.784 8.834 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.145 8.234 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.703 9.765 4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.534 8.761 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.533 9.685 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.190 8.099 1.943 1.00 0.00 H new ATOM 964 N GLY A 64 -9.576 5.956 -0.609 1.00 0.00 N ATOM 965 CA GLY A 64 -8.684 5.810 -1.739 1.00 0.00 C ATOM 966 C GLY A 64 -7.294 5.329 -1.381 1.00 0.00 C ATOM 967 O GLY A 64 -6.411 5.334 -2.232 1.00 0.00 O ATOM 0 H GLY A 64 -9.968 5.084 -0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.126 5.109 -2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.603 6.770 -2.249 1.00 0.00 H new ATOM 971 N TYR A 65 -7.082 4.907 -0.145 1.00 0.00 N ATOM 972 CA TYR A 65 -5.774 4.402 0.246 1.00 0.00 C ATOM 973 C TYR A 65 -5.877 3.455 1.437 1.00 0.00 C ATOM 974 O TYR A 65 -6.924 3.361 2.079 1.00 0.00 O ATOM 975 CB TYR A 65 -4.801 5.556 0.539 1.00 0.00 C ATOM 976 CG TYR A 65 -5.100 6.356 1.778 1.00 0.00 C ATOM 977 CD1 TYR A 65 -6.190 7.213 1.841 1.00 0.00 C ATOM 978 CD2 TYR A 65 -4.267 6.273 2.879 1.00 0.00 C ATOM 979 CE1 TYR A 65 -6.441 7.960 2.971 1.00 0.00 C ATOM 980 CE2 TYR A 65 -4.509 7.012 4.014 1.00 0.00 C ATOM 981 CZ TYR A 65 -5.597 7.857 4.060 1.00 0.00 C ATOM 982 OH TYR A 65 -5.842 8.599 5.196 1.00 0.00 O ATOM 0 H TYR A 65 -7.785 4.903 0.594 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.376 3.833 -0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.795 5.146 0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.797 6.231 -0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.851 7.295 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.411 5.616 2.847 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.293 8.623 3.005 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.849 6.930 4.865 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.154 8.407 5.867 1.00 0.00 H new ATOM 992 N GLY A 66 -4.793 2.741 1.701 1.00 0.00 N ATOM 993 CA GLY A 66 -4.754 1.797 2.797 1.00 0.00 C ATOM 994 C GLY A 66 -3.334 1.430 3.171 1.00 0.00 C ATOM 995 O GLY A 66 -2.385 1.911 2.551 1.00 0.00 O ATOM 0 H GLY A 66 -3.927 2.801 1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.259 2.224 3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.302 0.896 2.521 1.00 0.00 H new ATOM 999 N PHE A 67 -3.184 0.580 4.178 1.00 0.00 N ATOM 1000 CA PHE A 67 -1.867 0.195 4.668 1.00 0.00 C ATOM 1001 C PHE A 67 -1.810 -1.307 4.911 1.00 0.00 C ATOM 1002 O PHE A 67 -2.402 -1.808 5.866 1.00 0.00 O ATOM 1003 CB PHE A 67 -1.543 0.922 5.983 1.00 0.00 C ATOM 1004 CG PHE A 67 -1.490 2.422 5.879 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -2.651 3.173 5.960 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -0.282 3.079 5.711 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -2.610 4.550 5.873 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -0.236 4.458 5.623 1.00 0.00 C ATOM 1009 CZ PHE A 67 -1.401 5.194 5.705 1.00 0.00 C ATOM 0 H PHE A 67 -3.961 0.143 4.673 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.135 0.473 3.910 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.292 0.650 6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.582 0.563 6.353 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.600 2.675 6.093 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.633 2.508 5.648 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.523 5.123 5.936 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.711 4.959 5.490 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.366 6.271 5.638 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.100 -2.025 4.058 1.00 0.00 N ATOM 1020 CA VAL A 68 -0.911 -3.446 4.248 1.00 0.00 C ATOM 1021 C VAL A 68 0.531 -3.750 4.625 1.00 0.00 C ATOM 1022 O VAL A 68 1.462 -3.552 3.851 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.391 -4.275 3.022 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.633 -3.385 1.826 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.436 -5.411 2.662 1.00 0.00 C ATOM 0 H VAL A 68 -0.646 -1.644 3.228 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.542 -3.756 5.081 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.334 -4.736 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.968 -3.990 0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.398 -2.648 2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.708 -2.873 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.824 -5.953 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.544 -5.000 2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.346 -6.092 3.508 1.00 0.00 H new ATOM 1035 N ASN A 69 0.697 -4.168 5.862 1.00 0.00 N ATOM 1036 CA ASN A 69 1.978 -4.600 6.374 1.00 0.00 C ATOM 1037 C ASN A 69 2.196 -6.043 5.980 1.00 0.00 C ATOM 1038 O ASN A 69 1.337 -6.887 6.222 1.00 0.00 O ATOM 1039 CB ASN A 69 1.991 -4.494 7.895 1.00 0.00 C ATOM 1040 CG ASN A 69 3.383 -4.568 8.486 1.00 0.00 C ATOM 1041 OD1 ASN A 69 4.332 -4.009 7.952 1.00 0.00 O ATOM 1042 ND2 ASN A 69 3.516 -5.283 9.585 1.00 0.00 N ATOM 0 H ASN A 69 -0.059 -4.218 6.545 1.00 0.00 H new ATOM 0 HA ASN A 69 2.766 -3.970 5.963 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.527 -3.553 8.191 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.382 -5.295 8.314 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.433 -5.385 10.019 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.702 -5.734 10.001 1.00 0.00 H new ATOM 1049 N TYR A 70 3.309 -6.325 5.346 1.00 0.00 N ATOM 1050 CA TYR A 70 3.644 -7.687 4.996 1.00 0.00 C ATOM 1051 C TYR A 70 4.433 -8.350 6.108 1.00 0.00 C ATOM 1052 O TYR A 70 4.923 -7.692 7.026 1.00 0.00 O ATOM 1053 CB TYR A 70 4.458 -7.729 3.706 1.00 0.00 C ATOM 1054 CG TYR A 70 3.639 -7.784 2.443 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.573 -6.703 1.573 1.00 0.00 C ATOM 1056 CD2 TYR A 70 2.942 -8.935 2.112 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.833 -6.776 0.413 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.201 -9.014 0.955 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.151 -7.933 0.108 1.00 0.00 C ATOM 1060 OH TYR A 70 1.415 -8.010 -1.047 1.00 0.00 O ATOM 0 H TYR A 70 3.999 -5.630 5.061 1.00 0.00 H new ATOM 0 HA TYR A 70 2.710 -8.229 4.848 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.099 -6.848 3.669 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.114 -8.599 3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.108 -5.795 1.809 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.981 -9.787 2.775 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.788 -5.929 -0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.663 -9.919 0.714 1.00 0.00 H new ATOM 0 HH TYR A 70 0.835 -8.799 -1.013 1.00 0.00 H new ATOM 1070 N VAL A 71 4.537 -9.665 6.020 1.00 0.00 N ATOM 1071 CA VAL A 71 5.341 -10.432 6.955 1.00 0.00 C ATOM 1072 C VAL A 71 6.799 -10.421 6.507 1.00 0.00 C ATOM 1073 O VAL A 71 7.695 -10.872 7.219 1.00 0.00 O ATOM 1074 CB VAL A 71 4.844 -11.886 7.061 1.00 0.00 C ATOM 1075 CG1 VAL A 71 3.396 -11.908 7.524 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.003 -12.614 5.734 1.00 0.00 C ATOM 0 H VAL A 71 4.072 -10.226 5.306 1.00 0.00 H new ATOM 0 HA VAL A 71 5.251 -9.970 7.938 1.00 0.00 H new ATOM 0 HB VAL A 71 5.453 -12.409 7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.053 -12.940 7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.319 -11.431 8.501 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.777 -11.369 6.807 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.645 -13.638 5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.423 -12.102 4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.055 -12.624 5.448 1.00 0.00 H new ATOM 1086 N THR A 72 7.006 -9.893 5.311 1.00 0.00 N ATOM 1087 CA THR A 72 8.314 -9.808 4.692 1.00 0.00 C ATOM 1088 C THR A 72 8.501 -8.449 4.037 1.00 0.00 C ATOM 1089 O THR A 72 7.541 -7.845 3.560 1.00 0.00 O ATOM 1090 CB THR A 72 8.457 -10.859 3.587 1.00 0.00 C ATOM 1091 OG1 THR A 72 7.193 -11.035 2.940 1.00 0.00 O ATOM 1092 CG2 THR A 72 8.962 -12.189 4.110 1.00 0.00 C ATOM 0 H THR A 72 6.257 -9.506 4.737 1.00 0.00 H new ATOM 0 HA THR A 72 9.055 -9.969 5.475 1.00 0.00 H new ATOM 0 HB THR A 72 9.200 -10.496 2.877 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.275 -11.717 2.241 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.045 -12.897 3.285 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.941 -12.051 4.569 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.264 -12.577 4.852 1.00 0.00 H new ATOM 1100 N ALA A 73 9.731 -7.970 4.008 1.00 0.00 N ATOM 1101 CA ALA A 73 10.059 -6.806 3.204 1.00 0.00 C ATOM 1102 C ALA A 73 10.323 -7.270 1.780 1.00 0.00 C ATOM 1103 O ALA A 73 10.350 -6.482 0.832 1.00 0.00 O ATOM 1104 CB ALA A 73 11.258 -6.068 3.775 1.00 0.00 C ATOM 0 H ALA A 73 10.515 -8.365 4.528 1.00 0.00 H new ATOM 0 HA ALA A 73 9.225 -6.104 3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.481 -5.201 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.033 -5.739 4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.121 -6.734 3.792 1.00 0.00 H new ATOM 1110 N LYS A 74 10.503 -8.577 1.665 1.00 0.00 N ATOM 1111 CA LYS A 74 10.670 -9.254 0.393 1.00 0.00 C ATOM 1112 C LYS A 74 9.386 -9.195 -0.433 1.00 0.00 C ATOM 1113 O LYS A 74 9.403 -8.780 -1.593 1.00 0.00 O ATOM 1114 CB LYS A 74 11.094 -10.695 0.673 1.00 0.00 C ATOM 1115 CG LYS A 74 10.982 -11.616 -0.515 1.00 0.00 C ATOM 1116 CD LYS A 74 9.912 -12.657 -0.277 1.00 0.00 C ATOM 1117 CE LYS A 74 9.437 -13.235 -1.589 1.00 0.00 C ATOM 1118 NZ LYS A 74 8.343 -14.218 -1.396 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.537 -9.205 2.468 1.00 0.00 H new ATOM 0 HA LYS A 74 11.440 -8.757 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.126 -10.696 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.482 -11.091 1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.745 -11.039 -1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.939 -12.104 -0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.304 -13.452 0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.073 -12.210 0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.091 -12.429 -2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.272 -13.716 -2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.339 -14.893 -2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.491 -14.732 -0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.431 -13.720 -1.361 1.00 0.00 H new ATOM 1132 N ASP A 75 8.272 -9.587 0.171 1.00 0.00 N ATOM 1133 CA ASP A 75 6.985 -9.566 -0.520 1.00 0.00 C ATOM 1134 C ASP A 75 6.427 -8.148 -0.588 1.00 0.00 C ATOM 1135 O ASP A 75 5.527 -7.867 -1.372 1.00 0.00 O ATOM 1136 CB ASP A 75 5.986 -10.517 0.143 1.00 0.00 C ATOM 1137 CG ASP A 75 6.367 -11.977 -0.047 1.00 0.00 C ATOM 1138 OD1 ASP A 75 6.203 -12.507 -1.165 1.00 0.00 O ATOM 1139 OD2 ASP A 75 6.848 -12.601 0.919 1.00 0.00 O1- ATOM 0 H ASP A 75 8.231 -9.922 1.133 1.00 0.00 H new ATOM 0 HA ASP A 75 7.148 -9.914 -1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.928 -10.295 1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.993 -10.346 -0.273 1.00 0.00 H new ATOM 1144 N ALA A 76 6.969 -7.256 0.235 1.00 0.00 N ATOM 1145 CA ALA A 76 6.624 -5.837 0.157 1.00 0.00 C ATOM 1146 C ALA A 76 7.044 -5.278 -1.191 1.00 0.00 C ATOM 1147 O ALA A 76 6.222 -4.762 -1.947 1.00 0.00 O ATOM 1148 CB ALA A 76 7.289 -5.060 1.289 1.00 0.00 C ATOM 0 H ALA A 76 7.646 -7.487 0.962 1.00 0.00 H new ATOM 0 HA ALA A 76 5.544 -5.731 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.020 -4.006 1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.951 -5.453 2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.371 -5.165 1.215 1.00 0.00 H new ATOM 1154 N GLU A 77 8.326 -5.410 -1.498 1.00 0.00 N ATOM 1155 CA GLU A 77 8.845 -5.021 -2.800 1.00 0.00 C ATOM 1156 C GLU A 77 8.173 -5.837 -3.895 1.00 0.00 C ATOM 1157 O GLU A 77 7.938 -5.341 -4.994 1.00 0.00 O ATOM 1158 CB GLU A 77 10.359 -5.222 -2.830 1.00 0.00 C ATOM 1159 CG GLU A 77 10.963 -5.090 -4.212 1.00 0.00 C ATOM 1160 CD GLU A 77 12.467 -5.207 -4.195 1.00 0.00 C ATOM 1161 OE1 GLU A 77 13.145 -4.160 -4.143 1.00 0.00 O ATOM 1162 OE2 GLU A 77 12.982 -6.345 -4.227 1.00 0.00 O1- ATOM 0 H GLU A 77 9.028 -5.785 -0.860 1.00 0.00 H new ATOM 0 HA GLU A 77 8.628 -3.967 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.827 -4.493 -2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.593 -6.210 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.549 -5.861 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.681 -4.127 -4.639 1.00 0.00 H new ATOM 1169 N ARG A 78 7.823 -7.075 -3.568 1.00 0.00 N ATOM 1170 CA ARG A 78 7.182 -7.967 -4.510 1.00 0.00 C ATOM 1171 C ARG A 78 5.817 -7.408 -4.884 1.00 0.00 C ATOM 1172 O ARG A 78 5.392 -7.488 -6.030 1.00 0.00 O ATOM 1173 CB ARG A 78 7.055 -9.344 -3.879 1.00 0.00 C ATOM 1174 CG ARG A 78 6.641 -10.454 -4.824 1.00 0.00 C ATOM 1175 CD ARG A 78 6.647 -11.785 -4.094 1.00 0.00 C ATOM 1176 NE ARG A 78 6.246 -12.903 -4.939 1.00 0.00 N ATOM 1177 CZ ARG A 78 5.872 -14.087 -4.461 1.00 0.00 C ATOM 1178 NH1 ARG A 78 5.761 -14.273 -3.148 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 5.589 -15.081 -5.293 1.00 0.00 N ATOM 0 H ARG A 78 7.977 -7.482 -2.645 1.00 0.00 H new ATOM 0 HA ARG A 78 7.778 -8.053 -5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.012 -9.610 -3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.328 -9.289 -3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.646 -10.252 -5.222 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.322 -10.493 -5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.647 -11.973 -3.703 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.976 -11.726 -3.237 1.00 0.00 H new ATOM 0 HE ARG A 78 6.252 -12.771 -5.950 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.963 -13.507 -2.506 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.474 -15.182 -2.784 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.658 -14.938 -6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.302 -15.988 -4.925 1.00 0.00 H new ATOM 1193 N ALA A 79 5.141 -6.817 -3.912 1.00 0.00 N ATOM 1194 CA ALA A 79 3.863 -6.183 -4.167 1.00 0.00 C ATOM 1195 C ALA A 79 4.050 -4.938 -5.021 1.00 0.00 C ATOM 1196 O ALA A 79 3.235 -4.640 -5.888 1.00 0.00 O ATOM 1197 CB ALA A 79 3.151 -5.845 -2.863 1.00 0.00 C ATOM 0 H ALA A 79 5.457 -6.764 -2.943 1.00 0.00 H new ATOM 0 HA ALA A 79 3.236 -6.886 -4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.195 -5.370 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.980 -6.759 -2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.768 -5.164 -2.278 1.00 0.00 H new ATOM 1203 N ILE A 80 5.130 -4.218 -4.781 1.00 0.00 N ATOM 1204 CA ILE A 80 5.411 -3.001 -5.531 1.00 0.00 C ATOM 1205 C ILE A 80 5.865 -3.285 -6.956 1.00 0.00 C ATOM 1206 O ILE A 80 5.672 -2.468 -7.848 1.00 0.00 O ATOM 1207 CB ILE A 80 6.479 -2.161 -4.841 1.00 0.00 C ATOM 1208 CG1 ILE A 80 6.161 -2.009 -3.360 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.574 -0.814 -5.493 1.00 0.00 C ATOM 1210 CD1 ILE A 80 7.224 -1.274 -2.598 1.00 0.00 C ATOM 0 H ILE A 80 5.828 -4.451 -4.075 1.00 0.00 H new ATOM 0 HA ILE A 80 4.470 -2.452 -5.568 1.00 0.00 H new ATOM 0 HB ILE A 80 7.439 -2.668 -4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.214 -1.480 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.026 -2.998 -2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.340 -0.221 -4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.838 -0.936 -6.544 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.613 -0.304 -5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.935 -1.200 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.168 -1.814 -2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.343 -0.273 -3.013 1.00 0.00 H new ATOM 1222 N ASN A 81 6.496 -4.410 -7.187 1.00 0.00 N ATOM 1223 CA ASN A 81 6.906 -4.717 -8.536 1.00 0.00 C ATOM 1224 C ASN A 81 5.835 -5.500 -9.280 1.00 0.00 C ATOM 1225 O ASN A 81 5.688 -5.371 -10.494 1.00 0.00 O ATOM 1226 CB ASN A 81 8.254 -5.441 -8.560 1.00 0.00 C ATOM 1227 CG ASN A 81 8.318 -6.722 -7.745 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.424 -7.563 -7.786 1.00 0.00 O ATOM 1229 ND2 ASN A 81 9.397 -6.870 -6.988 1.00 0.00 N ATOM 0 H ASN A 81 6.732 -5.110 -6.483 1.00 0.00 H new ATOM 0 HA ASN A 81 7.037 -3.771 -9.061 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.503 -5.675 -9.595 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.021 -4.758 -8.194 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.506 -7.705 -6.413 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.118 -6.149 -6.981 1.00 0.00 H new ATOM 1236 N THR A 82 5.083 -6.300 -8.546 1.00 0.00 N ATOM 1237 CA THR A 82 4.043 -7.117 -9.134 1.00 0.00 C ATOM 1238 C THR A 82 2.687 -6.400 -9.155 1.00 0.00 C ATOM 1239 O THR A 82 2.122 -6.150 -10.223 1.00 0.00 O ATOM 1240 CB THR A 82 3.925 -8.455 -8.378 1.00 0.00 C ATOM 1241 OG1 THR A 82 5.006 -9.324 -8.746 1.00 0.00 O ATOM 1242 CG2 THR A 82 2.583 -9.137 -8.617 1.00 0.00 C ATOM 0 H THR A 82 5.176 -6.400 -7.535 1.00 0.00 H new ATOM 0 HA THR A 82 4.327 -7.309 -10.169 1.00 0.00 H new ATOM 0 HB THR A 82 3.985 -8.237 -7.312 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.859 -8.898 -8.521 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.548 -10.075 -8.064 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.778 -8.485 -8.277 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.462 -9.339 -9.681 1.00 0.00 H new ATOM 1250 N LEU A 83 2.185 -6.058 -7.975 1.00 0.00 N ATOM 1251 CA LEU A 83 0.835 -5.525 -7.832 1.00 0.00 C ATOM 1252 C LEU A 83 0.731 -4.075 -8.258 1.00 0.00 C ATOM 1253 O LEU A 83 -0.243 -3.696 -8.881 1.00 0.00 O ATOM 1254 CB LEU A 83 0.371 -5.638 -6.390 1.00 0.00 C ATOM 1255 CG LEU A 83 0.065 -7.053 -5.897 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.507 -6.993 -4.498 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.893 -7.779 -6.830 1.00 0.00 C ATOM 0 H LEU A 83 2.697 -6.141 -7.097 1.00 0.00 H new ATOM 0 HA LEU A 83 0.200 -6.120 -8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.138 -5.208 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.525 -5.030 -6.268 1.00 0.00 H new ATOM 0 HG LEU A 83 0.998 -7.616 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.724 -8.003 -4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.216 -6.526 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.426 -6.407 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.086 -8.781 -6.446 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.831 -7.227 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.450 -7.850 -7.823 1.00 0.00 H new ATOM 1269 N ASN A 84 1.727 -3.275 -7.897 1.00 0.00 N ATOM 1270 CA ASN A 84 1.709 -1.829 -8.117 1.00 0.00 C ATOM 1271 C ASN A 84 1.146 -1.464 -9.496 1.00 0.00 C ATOM 1272 O ASN A 84 1.786 -1.703 -10.523 1.00 0.00 O ATOM 1273 CB ASN A 84 3.133 -1.333 -7.981 1.00 0.00 C ATOM 1274 CG ASN A 84 3.261 0.106 -7.571 1.00 0.00 C ATOM 1275 OD1 ASN A 84 2.319 0.893 -7.647 1.00 0.00 O ATOM 1276 ND2 ASN A 84 4.466 0.449 -7.162 1.00 0.00 N ATOM 0 H ASN A 84 2.575 -3.610 -7.441 1.00 0.00 H new ATOM 0 HA ASN A 84 1.056 -1.358 -7.382 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.650 -1.953 -7.249 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.644 -1.472 -8.934 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.656 1.413 -6.887 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.208 -0.249 -7.120 1.00 0.00 H new ATOM 1283 N GLY A 85 -0.056 -0.890 -9.503 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.750 -0.608 -10.747 1.00 0.00 C ATOM 1285 C GLY A 85 -1.715 -1.719 -11.119 1.00 0.00 C ATOM 1286 O GLY A 85 -1.965 -1.961 -12.299 1.00 0.00 O ATOM 0 H GLY A 85 -0.563 -0.614 -8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.295 0.331 -10.654 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.022 -0.476 -11.547 1.00 0.00 H new ATOM 1290 N LEU A 86 -2.238 -2.406 -10.113 1.00 0.00 N ATOM 1291 CA LEU A 86 -3.145 -3.527 -10.325 1.00 0.00 C ATOM 1292 C LEU A 86 -4.563 -3.011 -10.483 1.00 0.00 C ATOM 1293 O LEU A 86 -4.968 -2.083 -9.783 1.00 0.00 O ATOM 1294 CB LEU A 86 -3.073 -4.490 -9.130 1.00 0.00 C ATOM 1295 CG LEU A 86 -3.041 -5.988 -9.460 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -4.299 -6.423 -10.194 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.801 -6.317 -10.273 1.00 0.00 C ATOM 0 H LEU A 86 -2.047 -2.204 -9.132 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.852 -4.060 -11.230 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.182 -4.249 -8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.932 -4.300 -8.487 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.004 -6.541 -8.522 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.243 -7.489 -10.412 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.171 -6.226 -9.570 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.387 -5.866 -11.127 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.788 -7.383 -10.502 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.813 -5.747 -11.202 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.911 -6.058 -9.700 1.00 0.00 H new ATOM 1309 N ARG A 87 -5.308 -3.596 -11.407 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.705 -3.240 -11.580 1.00 0.00 C ATOM 1311 C ARG A 87 -7.568 -3.970 -10.554 1.00 0.00 C ATOM 1312 O ARG A 87 -8.080 -5.059 -10.811 1.00 0.00 O ATOM 1313 CB ARG A 87 -7.174 -3.572 -12.997 1.00 0.00 C ATOM 1314 CG ARG A 87 -6.589 -2.664 -14.066 1.00 0.00 C ATOM 1315 CD ARG A 87 -7.174 -1.262 -13.998 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.711 -0.426 -15.105 1.00 0.00 N ATOM 1317 CZ ARG A 87 -7.216 0.772 -15.403 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -8.226 1.273 -14.697 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -6.718 1.464 -16.419 1.00 0.00 N ATOM 0 H ARG A 87 -4.970 -4.316 -12.046 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.808 -2.166 -11.425 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.908 -4.604 -13.225 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.261 -3.507 -13.034 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.507 -2.612 -13.947 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.781 -3.091 -15.050 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.262 -1.321 -14.017 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.897 -0.798 -13.051 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.953 -0.782 -15.687 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.620 0.740 -13.921 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.607 2.190 -14.931 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.951 1.080 -16.970 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.102 2.380 -16.649 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.722 -3.352 -9.398 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.563 -3.872 -8.343 1.00 0.00 C ATOM 1335 C LEU A 88 -9.975 -3.376 -8.549 1.00 0.00 C ATOM 1336 O LEU A 88 -10.233 -2.183 -8.423 1.00 0.00 O ATOM 1337 CB LEU A 88 -8.054 -3.405 -6.988 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.426 -4.491 -6.132 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.857 -3.893 -4.864 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -8.460 -5.553 -5.802 1.00 0.00 C ATOM 0 H LEU A 88 -7.264 -2.471 -9.166 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.543 -4.961 -8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.319 -2.616 -7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.884 -2.963 -6.437 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.613 -4.956 -6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.410 -4.681 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.096 -3.155 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.655 -3.411 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.002 -6.328 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.287 -5.099 -5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.835 -5.995 -6.725 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.881 -4.280 -8.893 1.00 0.00 N ATOM 1353 CA GLN A 89 -12.250 -3.899 -9.220 1.00 0.00 C ATOM 1354 C GLN A 89 -12.253 -2.863 -10.344 1.00 0.00 C ATOM 1355 O GLN A 89 -13.102 -1.971 -10.382 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.957 -3.334 -7.997 1.00 0.00 C ATOM 1357 CG GLN A 89 -13.155 -4.340 -6.875 1.00 0.00 C ATOM 1358 CD GLN A 89 -14.023 -3.792 -5.762 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.913 -2.500 -5.516 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.770 -4.525 -5.117 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.695 -5.281 -8.953 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.784 -4.790 -9.551 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.382 -2.490 -7.616 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.930 -2.947 -8.300 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.611 -5.245 -7.277 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.184 -4.625 -6.469 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.826 -5.519 -5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.334 -4.139 -4.360 1.00 0.00 H new ATOM 1369 N SER A 90 -11.245 -2.986 -11.212 1.00 0.00 N ATOM 1370 CA SER A 90 -11.056 -2.130 -12.393 1.00 0.00 C ATOM 1371 C SER A 90 -10.338 -0.826 -12.030 1.00 0.00 C ATOM 1372 O SER A 90 -9.954 -0.046 -12.903 1.00 0.00 O ATOM 1373 CB SER A 90 -12.393 -1.846 -13.079 1.00 0.00 C ATOM 1374 OG SER A 90 -12.213 -1.486 -14.440 1.00 0.00 O ATOM 0 H SER A 90 -10.521 -3.698 -11.114 1.00 0.00 H new ATOM 0 HA SER A 90 -10.421 -2.670 -13.096 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.030 -2.728 -13.016 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.909 -1.042 -12.554 1.00 0.00 H new ATOM 0 HG SER A 90 -11.439 -0.890 -14.521 1.00 0.00 H new ATOM 1380 N LYS A 91 -10.128 -0.624 -10.745 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.438 0.561 -10.239 1.00 0.00 C ATOM 1382 C LYS A 91 -7.949 0.269 -10.105 1.00 0.00 C ATOM 1383 O LYS A 91 -7.565 -0.769 -9.581 1.00 0.00 O ATOM 1384 CB LYS A 91 -10.001 0.929 -8.873 1.00 0.00 C ATOM 1385 CG LYS A 91 -10.144 2.404 -8.611 1.00 0.00 C ATOM 1386 CD LYS A 91 -8.795 3.043 -8.492 1.00 0.00 C ATOM 1387 CE LYS A 91 -8.894 4.400 -7.838 1.00 0.00 C ATOM 1388 NZ LYS A 91 -7.606 5.122 -7.860 1.00 0.00 N1+ ATOM 0 H LYS A 91 -10.428 -1.272 -10.017 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.585 1.388 -10.934 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.979 0.461 -8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.356 0.502 -8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.705 2.871 -9.420 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.712 2.564 -7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.135 2.401 -7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.348 3.144 -9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.651 4.994 -8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.225 4.282 -6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.566 5.785 -7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.824 4.440 -7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.519 5.650 -8.752 1.00 0.00 H new ATOM 1402 N THR A 92 -7.112 1.178 -10.559 1.00 0.00 N ATOM 1403 CA THR A 92 -5.676 0.950 -10.530 1.00 0.00 C ATOM 1404 C THR A 92 -5.068 1.481 -9.246 1.00 0.00 C ATOM 1405 O THR A 92 -5.219 2.651 -8.926 1.00 0.00 O ATOM 1406 CB THR A 92 -4.966 1.597 -11.728 1.00 0.00 C ATOM 1407 OG1 THR A 92 -5.927 1.958 -12.728 1.00 0.00 O ATOM 1408 CG2 THR A 92 -3.939 0.645 -12.329 1.00 0.00 C ATOM 0 H THR A 92 -7.395 2.076 -10.951 1.00 0.00 H new ATOM 0 HA THR A 92 -5.532 -0.129 -10.584 1.00 0.00 H new ATOM 0 HB THR A 92 -4.450 2.490 -11.377 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.468 2.372 -13.489 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.449 1.126 -13.176 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.194 0.391 -11.575 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.438 -0.263 -12.666 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.375 0.605 -8.536 1.00 0.00 N ATOM 1417 CA ILE A 93 -3.818 0.910 -7.225 1.00 0.00 C ATOM 1418 C ILE A 93 -2.355 1.354 -7.310 1.00 0.00 C ATOM 1419 O ILE A 93 -1.718 1.213 -8.355 1.00 0.00 O ATOM 1420 CB ILE A 93 -3.958 -0.316 -6.288 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.280 -1.577 -6.868 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.435 -0.591 -6.050 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -1.779 -1.551 -6.870 1.00 0.00 C ATOM 0 H ILE A 93 -4.181 -0.345 -8.854 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.385 1.745 -6.813 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.455 -0.082 -5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.612 -2.444 -6.297 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.627 -1.718 -7.892 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.543 -1.453 -5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.897 0.280 -5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.924 -0.798 -7.002 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.400 -2.480 -7.296 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.430 -0.709 -7.468 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.416 -1.446 -5.848 1.00 0.00 H new ATOM 1435 N LYS A 94 -1.830 1.913 -6.221 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.396 2.163 -6.114 1.00 0.00 C ATOM 1437 C LYS A 94 0.116 1.692 -4.772 1.00 0.00 C ATOM 1438 O LYS A 94 -0.245 2.245 -3.737 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.041 3.634 -6.280 1.00 0.00 C ATOM 1440 CG LYS A 94 1.453 3.885 -6.223 1.00 0.00 C ATOM 1441 CD LYS A 94 1.923 4.669 -7.423 1.00 0.00 C ATOM 1442 CE LYS A 94 1.841 3.859 -8.708 1.00 0.00 C ATOM 1443 NZ LYS A 94 2.223 4.667 -9.896 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.373 2.199 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 94 0.076 1.608 -6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.429 3.992 -7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.533 4.213 -5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.698 4.430 -5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.982 2.933 -6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.319 5.571 -7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.952 4.991 -7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.496 2.991 -8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.826 3.482 -8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.154 4.080 -10.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.582 5.481 -9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.200 5.006 -9.786 1.00 0.00 H new ATOM 1457 N VAL A 95 0.956 0.679 -4.788 1.00 0.00 N ATOM 1458 CA VAL A 95 1.510 0.153 -3.562 1.00 0.00 C ATOM 1459 C VAL A 95 2.962 0.610 -3.409 1.00 0.00 C ATOM 1460 O VAL A 95 3.721 0.659 -4.376 1.00 0.00 O ATOM 1461 CB VAL A 95 1.392 -1.389 -3.495 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.403 -1.904 -4.530 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.734 -2.058 -3.644 1.00 0.00 C ATOM 0 H VAL A 95 1.269 0.205 -5.635 1.00 0.00 H new ATOM 0 HA VAL A 95 0.931 0.547 -2.727 1.00 0.00 H new ATOM 0 HB VAL A 95 1.011 -1.646 -2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.338 -2.990 -4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.579 -1.470 -4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.740 -1.622 -5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.609 -3.140 -3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.170 -1.789 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.395 -1.730 -2.842 1.00 0.00 H new ATOM 1473 N SER A 96 3.311 0.993 -2.198 1.00 0.00 N ATOM 1474 CA SER A 96 4.642 1.468 -1.866 1.00 0.00 C ATOM 1475 C SER A 96 4.840 1.328 -0.369 1.00 0.00 C ATOM 1476 O SER A 96 3.895 1.045 0.346 1.00 0.00 O ATOM 1477 CB SER A 96 4.812 2.937 -2.267 1.00 0.00 C ATOM 1478 OG SER A 96 4.664 3.110 -3.666 1.00 0.00 O ATOM 0 H SER A 96 2.670 0.984 -1.404 1.00 0.00 H new ATOM 0 HA SER A 96 5.380 0.878 -2.409 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.076 3.547 -1.743 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.796 3.289 -1.957 1.00 0.00 H new ATOM 0 HG SER A 96 4.463 2.246 -4.083 1.00 0.00 H new ATOM 1484 N TYR A 97 6.056 1.511 0.101 1.00 0.00 N ATOM 1485 CA TYR A 97 6.315 1.503 1.534 1.00 0.00 C ATOM 1486 C TYR A 97 5.613 2.686 2.164 1.00 0.00 C ATOM 1487 O TYR A 97 5.817 3.828 1.748 1.00 0.00 O ATOM 1488 CB TYR A 97 7.811 1.593 1.808 1.00 0.00 C ATOM 1489 CG TYR A 97 8.652 0.865 0.792 1.00 0.00 C ATOM 1490 CD1 TYR A 97 8.682 -0.522 0.747 1.00 0.00 C ATOM 1491 CD2 TYR A 97 9.423 1.572 -0.119 1.00 0.00 C ATOM 1492 CE1 TYR A 97 9.464 -1.186 -0.179 1.00 0.00 C ATOM 1493 CE2 TYR A 97 10.202 0.923 -1.049 1.00 0.00 C ATOM 1494 CZ TYR A 97 10.223 -0.458 -1.076 1.00 0.00 C ATOM 1495 OH TYR A 97 11.011 -1.107 -1.997 1.00 0.00 O ATOM 0 H TYR A 97 6.879 1.667 -0.480 1.00 0.00 H new ATOM 0 HA TYR A 97 5.941 0.572 1.960 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.106 2.642 1.828 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.016 1.185 2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 97 8.086 -1.090 1.446 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.412 2.652 -0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.482 -2.266 -0.202 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.793 1.489 -1.753 1.00 0.00 H new ATOM 0 HH TYR A 97 11.477 -0.447 -2.551 1.00 0.00 H new ATOM 1505 N ALA A 98 4.764 2.412 3.138 1.00 0.00 N ATOM 1506 CA ALA A 98 4.041 3.467 3.820 1.00 0.00 C ATOM 1507 C ALA A 98 4.996 4.263 4.687 1.00 0.00 C ATOM 1508 O ALA A 98 5.210 3.922 5.847 1.00 0.00 O ATOM 1509 CB ALA A 98 2.902 2.890 4.647 1.00 0.00 C ATOM 0 H ALA A 98 4.559 1.470 3.473 1.00 0.00 H new ATOM 0 HA ALA A 98 3.604 4.136 3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.372 3.699 5.151 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.212 2.356 3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.304 2.202 5.390 1.00 0.00 H new