USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 661 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 65 ASN : amide:sc= 0 X(o=-3.6,f=-3.6) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.361 K(o=-3.6,f=-6.8!) USER MOD Set 1.3: A 79 GLN : amide:sc= -3.27! C(o=-3.6!,f=-3.5!) USER MOD Set 2.1: A 64 CYS SG : rot -34:sc= -0.402 USER MOD Set 2.2: A 84 GLN : amide:sc= -0.798 K(o=-1.2,f=-8.8!) USER MOD Single : A 24 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.69) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -2.5 K(o=-2.5,f=-3.3) USER MOD Single : A 38 THR OG1 : rot 30:sc= 0.391 USER MOD Single : A 40 THR OG1 : rot 180:sc= -2.46! USER MOD Single : A 41 THR OG1 : rot -52:sc= -0.413 USER MOD Single : A 43 GLN : amide:sc= -1.01 K(o=-1,f=-4.1!) USER MOD Single : A 49 TYR OH : rot 165:sc= -0.641 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -3.1! C(o=-3.1!,f=-6.9!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 153:sc= -0.169 (180deg=-1.1) USER MOD Single : A 94 SER OG : rot 103:sc= 1.21 USER MOD Single : A 95 GLN : amide:sc= 0.17 X(o=0.17,f=0.21) USER MOD Single : A 99 GLN : amide:sc= -1.94 X(o=-1.9,f=-1.9) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.59 K(o=-1.6,f=-8.2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 325 N ASN A 24 -5.218 -5.539 8.796 1.00 0.00 N ATOM 326 CA ASN A 24 -4.435 -4.497 8.141 1.00 0.00 C ATOM 327 C ASN A 24 -3.506 -5.095 7.091 1.00 0.00 C ATOM 328 O ASN A 24 -2.734 -6.011 7.378 1.00 0.00 O ATOM 329 CB ASN A 24 -3.620 -3.717 9.174 1.00 0.00 C ATOM 330 CG ASN A 24 -2.504 -4.547 9.778 1.00 0.00 C ATOM 331 OD1 ASN A 24 -1.382 -4.563 9.270 1.00 0.00 O ATOM 332 ND2 ASN A 24 -2.808 -5.244 10.867 1.00 0.00 N ATOM 0 HA ASN A 24 -5.126 -3.816 7.644 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.195 -2.830 8.703 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.282 -3.370 9.968 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.098 -5.823 11.317 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.751 -5.201 11.253 1.00 0.00 H new ATOM 339 N TYR A 25 -3.582 -4.571 5.872 1.00 0.00 N ATOM 340 CA TYR A 25 -2.749 -5.054 4.777 1.00 0.00 C ATOM 341 C TYR A 25 -1.508 -4.182 4.612 1.00 0.00 C ATOM 342 O TYR A 25 -0.492 -4.626 4.076 1.00 0.00 O ATOM 343 CB TYR A 25 -3.548 -5.076 3.473 1.00 0.00 C ATOM 344 CG TYR A 25 -3.907 -6.468 3.007 1.00 0.00 C ATOM 345 CD1 TYR A 25 -5.078 -7.085 3.430 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.075 -7.169 2.141 1.00 0.00 C ATOM 347 CE1 TYR A 25 -5.409 -8.357 3.007 1.00 0.00 C ATOM 348 CE2 TYR A 25 -3.400 -8.441 1.711 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.568 -9.032 2.148 1.00 0.00 C ATOM 350 OH TYR A 25 -4.894 -10.299 1.722 1.00 0.00 O ATOM 0 H TYR A 25 -4.213 -3.811 5.618 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.429 -6.068 5.016 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.463 -4.500 3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.970 -4.579 2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.741 -6.560 4.102 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.159 -6.711 1.799 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.323 -8.821 3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.743 -8.970 1.036 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.196 -10.632 1.120 1.00 0.00 H new ATOM 360 N ILE A 26 -1.598 -2.942 5.078 1.00 0.00 N ATOM 361 CA ILE A 26 -0.483 -2.008 4.985 1.00 0.00 C ATOM 362 C ILE A 26 -0.510 -1.001 6.129 1.00 0.00 C ATOM 363 O ILE A 26 -1.495 -0.282 6.314 1.00 0.00 O ATOM 364 CB ILE A 26 -0.496 -1.246 3.645 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.910 -0.758 3.327 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.028 -2.134 2.527 1.00 0.00 C ATOM 367 CD1 ILE A 26 -1.940 0.533 2.538 1.00 0.00 C ATOM 0 H ILE A 26 -2.432 -2.560 5.524 1.00 0.00 H new ATOM 0 HA ILE A 26 0.429 -2.601 5.048 1.00 0.00 H new ATOM 0 HB ILE A 26 0.158 -0.378 3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.434 -1.530 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.456 -0.617 4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.013 -1.583 1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.050 -2.438 2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.603 -3.018 2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.974 0.820 2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.444 1.319 3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.423 0.391 1.589 1.00 0.00 H new ATOM 379 N HIS A 27 0.574 -0.953 6.894 1.00 0.00 N ATOM 380 CA HIS A 27 0.676 -0.031 8.021 1.00 0.00 C ATOM 381 C HIS A 27 1.489 1.204 7.641 1.00 0.00 C ATOM 382 O HIS A 27 2.496 1.104 6.942 1.00 0.00 O ATOM 383 CB HIS A 27 1.317 -0.728 9.221 1.00 0.00 C ATOM 384 CG HIS A 27 0.906 -0.149 10.540 1.00 0.00 C ATOM 385 ND1 HIS A 27 0.328 -0.897 11.543 1.00 0.00 N ATOM 386 CD2 HIS A 27 0.993 1.115 11.017 1.00 0.00 C ATOM 387 CE1 HIS A 27 0.077 -0.118 12.581 1.00 0.00 C ATOM 388 NE2 HIS A 27 0.472 1.107 12.287 1.00 0.00 N ATOM 0 H HIS A 27 1.395 -1.541 6.755 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.331 0.287 8.290 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.054 -1.785 9.200 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.401 -0.668 9.129 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.126 -1.895 11.492 1.00 0.00 H new ATOM 0 HD2 HIS A 27 1.397 1.970 10.496 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.374 -0.430 13.511 1.00 0.00 H new ATOM 396 N ILE A 28 1.041 2.365 8.107 1.00 0.00 N ATOM 397 CA ILE A 28 1.728 3.618 7.816 1.00 0.00 C ATOM 398 C ILE A 28 1.642 4.578 8.997 1.00 0.00 C ATOM 399 O ILE A 28 0.564 5.068 9.335 1.00 0.00 O ATOM 400 CB ILE A 28 1.142 4.305 6.568 1.00 0.00 C ATOM 401 CG1 ILE A 28 0.664 3.257 5.560 1.00 0.00 C ATOM 402 CG2 ILE A 28 2.174 5.225 5.935 1.00 0.00 C ATOM 403 CD1 ILE A 28 0.142 3.852 4.271 1.00 0.00 C ATOM 0 H ILE A 28 0.207 2.464 8.686 1.00 0.00 H new ATOM 0 HA ILE A 28 2.772 3.369 7.627 1.00 0.00 H new ATOM 0 HB ILE A 28 0.286 4.908 6.871 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.489 2.582 5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.122 2.656 6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.744 5.703 5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.470 5.989 6.654 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.048 4.644 5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.179 3.051 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.704 4.505 4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.932 4.429 3.791 1.00 0.00 H new ATOM 415 N ARG A 29 2.786 4.845 9.621 1.00 0.00 N ATOM 416 CA ARG A 29 2.840 5.746 10.764 1.00 0.00 C ATOM 417 C ARG A 29 3.870 6.850 10.537 1.00 0.00 C ATOM 418 O ARG A 29 5.066 6.649 10.744 1.00 0.00 O ATOM 419 CB ARG A 29 3.184 4.969 12.037 1.00 0.00 C ATOM 420 CG ARG A 29 2.310 3.746 12.258 1.00 0.00 C ATOM 421 CD ARG A 29 2.213 3.390 13.734 1.00 0.00 C ATOM 422 NE ARG A 29 2.744 2.058 14.010 1.00 0.00 N ATOM 423 CZ ARG A 29 4.042 1.785 14.086 1.00 0.00 C ATOM 424 NH1 ARG A 29 4.936 2.747 13.907 1.00 0.00 N ATOM 425 NH2 ARG A 29 4.447 0.547 14.343 1.00 0.00 N ATOM 0 H ARG A 29 3.687 4.449 9.353 1.00 0.00 H new ATOM 0 HA ARG A 29 1.858 6.205 10.880 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.227 4.656 11.991 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.088 5.634 12.896 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.312 3.934 11.862 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.719 2.900 11.705 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.760 4.127 14.322 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.171 3.438 14.051 1.00 0.00 H new ATOM 0 HE ARG A 29 2.082 1.295 14.152 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.628 3.699 13.710 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.932 2.535 13.966 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.761 -0.195 14.482 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.444 0.338 14.401 1.00 0.00 H new ATOM 439 N ILE A 30 3.394 8.015 10.109 1.00 0.00 N ATOM 440 CA ILE A 30 4.272 9.150 9.853 1.00 0.00 C ATOM 441 C ILE A 30 4.543 9.935 11.133 1.00 0.00 C ATOM 442 O ILE A 30 3.683 10.030 12.006 1.00 0.00 O ATOM 443 CB ILE A 30 3.673 10.100 8.799 1.00 0.00 C ATOM 444 CG1 ILE A 30 2.319 10.633 9.273 1.00 0.00 C ATOM 445 CG2 ILE A 30 3.530 9.385 7.463 1.00 0.00 C ATOM 446 CD1 ILE A 30 2.301 12.131 9.483 1.00 0.00 C ATOM 0 H ILE A 30 2.406 8.197 9.932 1.00 0.00 H new ATOM 0 HA ILE A 30 5.209 8.744 9.473 1.00 0.00 H new ATOM 0 HB ILE A 30 4.348 10.945 8.666 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.556 10.367 8.541 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.050 10.140 10.207 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.105 10.069 6.728 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.510 9.050 7.123 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.872 8.524 7.580 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.311 12.439 9.818 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.040 12.402 10.237 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.539 12.633 8.545 1.00 0.00 H new ATOM 583 N THR A 38 12.036 14.907 7.988 1.00 0.00 N ATOM 584 CA THR A 38 10.786 14.156 8.005 1.00 0.00 C ATOM 585 C THR A 38 11.044 12.657 7.896 1.00 0.00 C ATOM 586 O THR A 38 11.912 12.219 7.140 1.00 0.00 O ATOM 587 CB THR A 38 9.854 14.590 6.859 1.00 0.00 C ATOM 588 OG1 THR A 38 9.947 16.006 6.662 1.00 0.00 O ATOM 589 CG2 THR A 38 8.413 14.209 7.161 1.00 0.00 C ATOM 0 HA THR A 38 10.301 14.370 8.958 1.00 0.00 H new ATOM 0 HB THR A 38 10.167 14.076 5.950 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.843 16.313 6.912 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.773 14.526 6.338 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.340 13.128 7.283 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.092 14.700 8.080 1.00 0.00 H new ATOM 597 N LEU A 39 10.283 11.874 8.653 1.00 0.00 N ATOM 598 CA LEU A 39 10.428 10.422 8.640 1.00 0.00 C ATOM 599 C LEU A 39 9.065 9.739 8.601 1.00 0.00 C ATOM 600 O LEU A 39 8.072 10.280 9.089 1.00 0.00 O ATOM 601 CB LEU A 39 11.210 9.957 9.871 1.00 0.00 C ATOM 602 CG LEU A 39 11.643 8.491 9.875 1.00 0.00 C ATOM 603 CD1 LEU A 39 13.012 8.341 10.520 1.00 0.00 C ATOM 604 CD2 LEU A 39 10.614 7.633 10.598 1.00 0.00 C ATOM 0 H LEU A 39 9.559 12.220 9.283 1.00 0.00 H new ATOM 0 HA LEU A 39 10.978 10.144 7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 39 12.100 10.578 9.968 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.598 10.137 10.755 1.00 0.00 H new ATOM 0 HG LEU A 39 11.711 8.149 8.842 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.304 7.291 10.514 1.00 0.00 H new ATOM 0 HD12 LEU A 39 13.744 8.924 9.961 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.971 8.700 11.548 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.939 6.592 10.591 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.514 7.975 11.628 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.652 7.716 10.093 1.00 0.00 H new ATOM 616 N THR A 40 9.024 8.545 8.018 1.00 0.00 N ATOM 617 CA THR A 40 7.783 7.787 7.917 1.00 0.00 C ATOM 618 C THR A 40 8.050 6.286 7.972 1.00 0.00 C ATOM 619 O THR A 40 8.962 5.783 7.315 1.00 0.00 O ATOM 620 CB THR A 40 7.030 8.117 6.614 1.00 0.00 C ATOM 621 OG1 THR A 40 5.730 7.515 6.635 1.00 0.00 O ATOM 622 CG2 THR A 40 7.803 7.622 5.401 1.00 0.00 C ATOM 0 H THR A 40 9.836 8.082 7.609 1.00 0.00 H new ATOM 0 HA THR A 40 7.165 8.074 8.768 1.00 0.00 H new ATOM 0 HB THR A 40 6.929 9.200 6.543 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.256 7.730 5.805 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.251 7.867 4.493 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.781 8.102 5.372 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.931 6.542 5.467 1.00 0.00 H new ATOM 630 N THR A 41 7.247 5.576 8.758 1.00 0.00 N ATOM 631 CA THR A 41 7.397 4.134 8.898 1.00 0.00 C ATOM 632 C THR A 41 6.300 3.392 8.143 1.00 0.00 C ATOM 633 O THR A 41 5.161 3.851 8.072 1.00 0.00 O ATOM 634 CB THR A 41 7.366 3.706 10.377 1.00 0.00 C ATOM 635 OG1 THR A 41 6.296 4.374 11.056 1.00 0.00 O ATOM 636 CG2 THR A 41 8.686 4.026 11.061 1.00 0.00 C ATOM 0 H THR A 41 6.486 5.977 9.307 1.00 0.00 H new ATOM 0 HA THR A 41 8.367 3.875 8.473 1.00 0.00 H new ATOM 0 HB THR A 41 7.207 2.629 10.418 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.364 5.340 10.903 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.640 3.715 12.105 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.494 3.494 10.559 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.871 5.099 11.010 1.00 0.00 H new ATOM 644 N VAL A 42 6.651 2.238 7.581 1.00 0.00 N ATOM 645 CA VAL A 42 5.695 1.430 6.832 1.00 0.00 C ATOM 646 C VAL A 42 5.893 -0.054 7.112 1.00 0.00 C ATOM 647 O VAL A 42 6.993 -0.490 7.452 1.00 0.00 O ATOM 648 CB VAL A 42 5.817 1.678 5.317 1.00 0.00 C ATOM 649 CG1 VAL A 42 7.137 1.135 4.791 1.00 0.00 C ATOM 650 CG2 VAL A 42 4.643 1.052 4.579 1.00 0.00 C ATOM 0 H VAL A 42 7.590 1.842 7.631 1.00 0.00 H new ATOM 0 HA VAL A 42 4.700 1.729 7.162 1.00 0.00 H new ATOM 0 HB VAL A 42 5.797 2.753 5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.205 1.320 3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.963 1.633 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.190 0.063 4.979 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.745 1.237 3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.629 -0.022 4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.712 1.493 4.936 1.00 0.00 H new ATOM 660 N GLN A 43 4.822 -0.827 6.965 1.00 0.00 N ATOM 661 CA GLN A 43 4.878 -2.265 7.201 1.00 0.00 C ATOM 662 C GLN A 43 3.943 -3.010 6.255 1.00 0.00 C ATOM 663 O GLN A 43 3.066 -2.410 5.635 1.00 0.00 O ATOM 664 CB GLN A 43 4.509 -2.578 8.653 1.00 0.00 C ATOM 665 CG GLN A 43 4.910 -3.976 9.094 1.00 0.00 C ATOM 666 CD GLN A 43 3.748 -4.950 9.075 1.00 0.00 C ATOM 667 OE1 GLN A 43 2.700 -4.674 8.491 1.00 0.00 O ATOM 668 NE2 GLN A 43 3.927 -6.098 9.717 1.00 0.00 N ATOM 0 H GLN A 43 3.905 -0.482 6.683 1.00 0.00 H new ATOM 0 HA GLN A 43 5.898 -2.600 7.011 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.988 -1.849 9.306 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.433 -2.461 8.779 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.700 -4.346 8.441 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.324 -3.930 10.101 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.812 -6.286 10.188 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.180 -6.792 9.739 1.00 0.00 H new ATOM 677 N GLY A 44 4.139 -4.320 6.148 1.00 0.00 N ATOM 678 CA GLY A 44 3.307 -5.125 5.274 1.00 0.00 C ATOM 679 C GLY A 44 4.020 -5.526 3.998 1.00 0.00 C ATOM 680 O GLY A 44 3.404 -6.055 3.073 1.00 0.00 O ATOM 0 H GLY A 44 4.859 -4.838 6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.989 -6.022 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.405 -4.567 5.022 1.00 0.00 H new ATOM 684 N VAL A 45 5.324 -5.269 3.947 1.00 0.00 N ATOM 685 CA VAL A 45 6.123 -5.604 2.775 1.00 0.00 C ATOM 686 C VAL A 45 6.197 -7.113 2.574 1.00 0.00 C ATOM 687 O VAL A 45 6.448 -7.877 3.505 1.00 0.00 O ATOM 688 CB VAL A 45 7.553 -5.043 2.891 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.364 -5.386 1.652 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.517 -3.538 3.115 1.00 0.00 C ATOM 0 H VAL A 45 5.848 -4.830 4.704 1.00 0.00 H new ATOM 0 HA VAL A 45 5.630 -5.149 1.916 1.00 0.00 H new ATOM 0 HB VAL A 45 8.037 -5.505 3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.371 -4.981 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.418 -6.469 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.886 -4.954 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.535 -3.158 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.015 -3.057 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.975 -3.320 4.035 1.00 0.00 H new ATOM 700 N PRO A 46 5.973 -7.556 1.327 1.00 0.00 N ATOM 701 CA PRO A 46 6.009 -8.978 0.974 1.00 0.00 C ATOM 702 C PRO A 46 7.421 -9.553 1.030 1.00 0.00 C ATOM 703 O PRO A 46 8.376 -8.846 1.348 1.00 0.00 O ATOM 704 CB PRO A 46 5.480 -9.000 -0.463 1.00 0.00 C ATOM 705 CG PRO A 46 5.783 -7.644 -1.000 1.00 0.00 C ATOM 706 CD PRO A 46 5.669 -6.701 0.167 1.00 0.00 C ATOM 0 HA PRO A 46 5.426 -9.585 1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.967 -9.777 -1.052 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.410 -9.205 -0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.783 -7.610 -1.433 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.084 -7.372 -1.791 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.372 -5.872 0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.671 -6.268 0.238 1.00 0.00 H new ATOM 714 N GLU A 47 7.544 -10.840 0.717 1.00 0.00 N ATOM 715 CA GLU A 47 8.838 -11.508 0.733 1.00 0.00 C ATOM 716 C GLU A 47 9.617 -11.215 -0.547 1.00 0.00 C ATOM 717 O GLU A 47 10.847 -11.164 -0.538 1.00 0.00 O ATOM 718 CB GLU A 47 8.656 -13.018 0.897 1.00 0.00 C ATOM 719 CG GLU A 47 9.799 -13.693 1.635 1.00 0.00 C ATOM 720 CD GLU A 47 9.549 -13.800 3.128 1.00 0.00 C ATOM 721 OE1 GLU A 47 8.512 -14.379 3.514 1.00 0.00 O ATOM 722 OE2 GLU A 47 10.388 -13.303 3.907 1.00 0.00 O ATOM 0 H GLU A 47 6.763 -11.439 0.450 1.00 0.00 H new ATOM 0 HA GLU A 47 9.406 -11.124 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.726 -13.207 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.553 -13.472 -0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.953 -14.691 1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.718 -13.133 1.464 1.00 0.00 H new ATOM 729 N GLU A 48 8.892 -11.027 -1.644 1.00 0.00 N ATOM 730 CA GLU A 48 9.515 -10.741 -2.930 1.00 0.00 C ATOM 731 C GLU A 48 10.265 -9.412 -2.890 1.00 0.00 C ATOM 732 O GLU A 48 11.075 -9.116 -3.768 1.00 0.00 O ATOM 733 CB GLU A 48 8.460 -10.709 -4.038 1.00 0.00 C ATOM 734 CG GLU A 48 8.725 -11.699 -5.161 1.00 0.00 C ATOM 735 CD GLU A 48 7.473 -12.427 -5.605 1.00 0.00 C ATOM 736 OE1 GLU A 48 6.738 -11.881 -6.455 1.00 0.00 O ATOM 737 OE2 GLU A 48 7.227 -13.543 -5.102 1.00 0.00 O ATOM 0 H GLU A 48 7.873 -11.068 -1.668 1.00 0.00 H new ATOM 0 HA GLU A 48 10.230 -11.536 -3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.483 -10.919 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.414 -9.703 -4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.154 -11.170 -6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.466 -12.427 -4.831 1.00 0.00 H new ATOM 744 N TYR A 49 9.986 -8.614 -1.865 1.00 0.00 N ATOM 745 CA TYR A 49 10.630 -7.315 -1.709 1.00 0.00 C ATOM 746 C TYR A 49 11.282 -7.191 -0.335 1.00 0.00 C ATOM 747 O TYR A 49 10.604 -6.987 0.671 1.00 0.00 O ATOM 748 CB TYR A 49 9.612 -6.191 -1.905 1.00 0.00 C ATOM 749 CG TYR A 49 10.166 -4.994 -2.643 1.00 0.00 C ATOM 750 CD1 TYR A 49 10.771 -5.137 -3.886 1.00 0.00 C ATOM 751 CD2 TYR A 49 10.088 -3.718 -2.096 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.281 -4.046 -4.563 1.00 0.00 C ATOM 753 CE2 TYR A 49 10.593 -2.622 -2.767 1.00 0.00 C ATOM 754 CZ TYR A 49 11.189 -2.790 -4.000 1.00 0.00 C ATOM 755 OH TYR A 49 11.695 -1.700 -4.670 1.00 0.00 O ATOM 0 H TYR A 49 9.318 -8.844 -1.129 1.00 0.00 H new ATOM 0 HA TYR A 49 11.407 -7.230 -2.469 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.755 -6.581 -2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.247 -5.869 -0.930 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.844 -6.119 -4.331 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.625 -3.582 -1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.749 -4.176 -5.528 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.522 -1.638 -2.329 1.00 0.00 H new ATOM 0 HH TYR A 49 11.347 -0.878 -4.266 1.00 0.00 H new ATOM 765 N ASP A 50 12.605 -7.317 -0.302 1.00 0.00 N ATOM 766 CA ASP A 50 13.352 -7.217 0.946 1.00 0.00 C ATOM 767 C ASP A 50 13.745 -5.773 1.231 1.00 0.00 C ATOM 768 O ASP A 50 13.378 -4.860 0.488 1.00 0.00 O ATOM 769 CB ASP A 50 14.601 -8.098 0.888 1.00 0.00 C ATOM 770 CG ASP A 50 14.268 -9.572 0.765 1.00 0.00 C ATOM 771 OD1 ASP A 50 14.023 -10.032 -0.369 1.00 0.00 O ATOM 772 OD2 ASP A 50 14.250 -10.264 1.805 1.00 0.00 O ATOM 0 H ASP A 50 13.182 -7.489 -1.126 1.00 0.00 H new ATOM 0 HA ASP A 50 12.709 -7.564 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.215 -7.796 0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.197 -7.937 1.787 1.00 0.00 H new ATOM 777 N LEU A 51 14.493 -5.568 2.310 1.00 0.00 N ATOM 778 CA LEU A 51 14.935 -4.233 2.692 1.00 0.00 C ATOM 779 C LEU A 51 16.002 -3.715 1.734 1.00 0.00 C ATOM 780 O LEU A 51 16.150 -2.508 1.544 1.00 0.00 O ATOM 781 CB LEU A 51 15.481 -4.246 4.122 1.00 0.00 C ATOM 782 CG LEU A 51 15.890 -2.890 4.697 1.00 0.00 C ATOM 783 CD1 LEU A 51 17.278 -2.498 4.209 1.00 0.00 C ATOM 784 CD2 LEU A 51 14.871 -1.824 4.323 1.00 0.00 C ATOM 0 H LEU A 51 14.806 -6.310 2.936 1.00 0.00 H new ATOM 0 HA LEU A 51 14.075 -3.565 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 51 14.724 -4.681 4.774 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.347 -4.907 4.153 1.00 0.00 H new ATOM 0 HG LEU A 51 15.920 -2.972 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 51 17.551 -1.530 4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.001 -3.249 4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 51 17.276 -2.434 3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 51 15.178 -0.865 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 51 14.810 -1.744 3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.895 -2.098 4.723 1.00 0.00 H new ATOM 796 N LYS A 52 16.741 -4.637 1.126 1.00 0.00 N ATOM 797 CA LYS A 52 17.791 -4.276 0.182 1.00 0.00 C ATOM 798 C LYS A 52 17.200 -3.894 -1.171 1.00 0.00 C ATOM 799 O LYS A 52 17.723 -3.020 -1.863 1.00 0.00 O ATOM 800 CB LYS A 52 18.772 -5.439 0.009 1.00 0.00 C ATOM 801 CG LYS A 52 19.965 -5.104 -0.869 1.00 0.00 C ATOM 802 CD LYS A 52 20.777 -3.956 -0.293 1.00 0.00 C ATOM 803 CE LYS A 52 22.260 -4.292 -0.245 1.00 0.00 C ATOM 804 NZ LYS A 52 23.108 -3.103 -0.539 1.00 0.00 N ATOM 0 H LYS A 52 16.632 -5.641 1.271 1.00 0.00 H new ATOM 0 HA LYS A 52 18.323 -3.414 0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.130 -5.750 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.242 -6.289 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 52 20.600 -5.984 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.620 -4.841 -1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.625 -3.062 -0.897 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.422 -3.726 0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.512 -4.683 0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.477 -5.080 -0.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 24.111 -3.373 -0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.886 -2.745 -1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.920 -2.360 0.164 1.00 0.00 H new ATOM 818 N ARG A 53 16.105 -4.551 -1.540 1.00 0.00 N ATOM 819 CA ARG A 53 15.442 -4.278 -2.810 1.00 0.00 C ATOM 820 C ARG A 53 14.666 -2.965 -2.747 1.00 0.00 C ATOM 821 O ARG A 53 14.584 -2.234 -3.734 1.00 0.00 O ATOM 822 CB ARG A 53 14.498 -5.424 -3.173 1.00 0.00 C ATOM 823 CG ARG A 53 14.141 -5.476 -4.649 1.00 0.00 C ATOM 824 CD ARG A 53 15.282 -6.042 -5.479 1.00 0.00 C ATOM 825 NE ARG A 53 14.926 -7.312 -6.106 1.00 0.00 N ATOM 826 CZ ARG A 53 15.651 -7.892 -7.056 1.00 0.00 C ATOM 827 NH1 ARG A 53 16.766 -7.318 -7.486 1.00 0.00 N ATOM 828 NH2 ARG A 53 15.260 -9.048 -7.578 1.00 0.00 N ATOM 0 H ARG A 53 15.658 -5.276 -0.978 1.00 0.00 H new ATOM 0 HA ARG A 53 16.208 -4.190 -3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.960 -6.369 -2.886 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.582 -5.327 -2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.250 -6.089 -4.787 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.896 -4.474 -5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.561 -5.323 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 53 16.156 -6.184 -4.844 1.00 0.00 H new ATOM 0 HE ARG A 53 14.074 -7.779 -5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.069 -6.429 -7.087 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.321 -7.765 -8.216 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.402 -9.492 -7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.817 -9.493 -8.307 1.00 0.00 H new ATOM 842 N ILE A 54 14.100 -2.674 -1.582 1.00 0.00 N ATOM 843 CA ILE A 54 13.332 -1.450 -1.390 1.00 0.00 C ATOM 844 C ILE A 54 14.248 -0.259 -1.139 1.00 0.00 C ATOM 845 O ILE A 54 13.929 0.873 -1.506 1.00 0.00 O ATOM 846 CB ILE A 54 12.345 -1.583 -0.213 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.413 -0.371 -0.162 1.00 0.00 C ATOM 848 CG2 ILE A 54 13.103 -1.732 1.098 1.00 0.00 C ATOM 849 CD1 ILE A 54 9.979 -0.725 0.164 1.00 0.00 C ATOM 0 H ILE A 54 14.158 -3.269 -0.756 1.00 0.00 H new ATOM 0 HA ILE A 54 12.769 -1.284 -2.309 1.00 0.00 H new ATOM 0 HB ILE A 54 11.739 -2.477 -0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.784 0.331 0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.443 0.141 -1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.393 -1.825 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.729 -2.623 1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.730 -0.855 1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.376 0.183 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.590 -1.403 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.937 -1.210 1.139 1.00 0.00 H new ATOM 861 N LEU A 55 15.390 -0.521 -0.512 1.00 0.00 N ATOM 862 CA LEU A 55 16.356 0.530 -0.213 1.00 0.00 C ATOM 863 C LEU A 55 17.170 0.892 -1.451 1.00 0.00 C ATOM 864 O LEU A 55 17.618 2.027 -1.604 1.00 0.00 O ATOM 865 CB LEU A 55 17.292 0.085 0.913 1.00 0.00 C ATOM 866 CG LEU A 55 18.267 1.141 1.433 1.00 0.00 C ATOM 867 CD1 LEU A 55 18.403 1.047 2.944 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.626 0.988 0.764 1.00 0.00 C ATOM 0 H LEU A 55 15.669 -1.452 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 55 15.805 1.414 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.683 -0.261 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.868 -0.771 0.562 1.00 0.00 H new ATOM 0 HG LEU A 55 17.870 2.125 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 55 19.101 1.807 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.430 1.207 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 55 18.776 0.059 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.307 1.748 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 55 20.028 -0.002 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.517 1.108 -0.314 1.00 0.00 H new ATOM 880 N LYS A 56 17.355 -0.084 -2.337 1.00 0.00 N ATOM 881 CA LYS A 56 18.111 0.131 -3.565 1.00 0.00 C ATOM 882 C LYS A 56 17.251 0.821 -4.619 1.00 0.00 C ATOM 883 O LYS A 56 17.728 1.690 -5.350 1.00 0.00 O ATOM 884 CB LYS A 56 18.629 -1.203 -4.108 1.00 0.00 C ATOM 885 CG LYS A 56 19.549 -1.055 -5.307 1.00 0.00 C ATOM 886 CD LYS A 56 20.601 -2.151 -5.342 1.00 0.00 C ATOM 887 CE LYS A 56 21.243 -2.262 -6.715 1.00 0.00 C ATOM 888 NZ LYS A 56 22.256 -3.354 -6.767 1.00 0.00 N ATOM 0 H LYS A 56 16.991 -1.030 -2.226 1.00 0.00 H new ATOM 0 HA LYS A 56 18.958 0.776 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 56 19.162 -1.727 -3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.780 -1.827 -4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 56 18.961 -1.085 -6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.038 -0.081 -5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.368 -1.944 -4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.144 -3.104 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.472 -2.446 -7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.717 -1.315 -6.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 22.671 -3.397 -7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.006 -3.166 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 21.799 -4.262 -6.547 1.00 0.00 H new ATOM 902 N VAL A 57 15.984 0.431 -4.690 1.00 0.00 N ATOM 903 CA VAL A 57 15.057 1.015 -5.653 1.00 0.00 C ATOM 904 C VAL A 57 14.639 2.419 -5.232 1.00 0.00 C ATOM 905 O VAL A 57 14.511 3.317 -6.065 1.00 0.00 O ATOM 906 CB VAL A 57 13.797 0.144 -5.819 1.00 0.00 C ATOM 907 CG1 VAL A 57 12.774 0.846 -6.698 1.00 0.00 C ATOM 908 CG2 VAL A 57 14.161 -1.216 -6.393 1.00 0.00 C ATOM 0 H VAL A 57 15.575 -0.287 -4.092 1.00 0.00 H new ATOM 0 HA VAL A 57 15.582 1.066 -6.607 1.00 0.00 H new ATOM 0 HB VAL A 57 13.351 -0.010 -4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.891 0.215 -6.804 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.490 1.794 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.206 1.033 -7.681 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.259 -1.818 -6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.632 -1.086 -7.367 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.854 -1.721 -5.720 1.00 0.00 H new ATOM 918 N LEU A 58 14.428 2.603 -3.933 1.00 0.00 N ATOM 919 CA LEU A 58 14.025 3.900 -3.400 1.00 0.00 C ATOM 920 C LEU A 58 15.168 4.905 -3.491 1.00 0.00 C ATOM 921 O LEU A 58 14.973 6.047 -3.905 1.00 0.00 O ATOM 922 CB LEU A 58 13.570 3.756 -1.945 1.00 0.00 C ATOM 923 CG LEU A 58 12.179 3.158 -1.734 1.00 0.00 C ATOM 924 CD1 LEU A 58 11.916 2.931 -0.252 1.00 0.00 C ATOM 925 CD2 LEU A 58 11.112 4.060 -2.336 1.00 0.00 C ATOM 0 H LEU A 58 14.529 1.871 -3.230 1.00 0.00 H new ATOM 0 HA LEU A 58 13.193 4.270 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.295 3.135 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.595 4.741 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 58 12.138 2.194 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.921 2.505 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.661 2.244 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.977 3.881 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.129 3.618 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.152 5.039 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.290 4.171 -3.406 1.00 0.00 H new ATOM 937 N LYS A 59 16.363 4.471 -3.103 1.00 0.00 N ATOM 938 CA LYS A 59 17.539 5.331 -3.142 1.00 0.00 C ATOM 939 C LYS A 59 17.938 5.641 -4.581 1.00 0.00 C ATOM 940 O LYS A 59 18.456 6.718 -4.876 1.00 0.00 O ATOM 941 CB LYS A 59 18.707 4.667 -2.409 1.00 0.00 C ATOM 942 CG LYS A 59 18.559 4.672 -0.898 1.00 0.00 C ATOM 943 CD LYS A 59 19.376 5.785 -0.262 1.00 0.00 C ATOM 944 CE LYS A 59 20.789 5.325 0.060 1.00 0.00 C ATOM 945 NZ LYS A 59 21.773 6.437 -0.052 1.00 0.00 N ATOM 0 H LYS A 59 16.542 3.528 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 59 17.290 6.267 -2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.802 3.637 -2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 59 19.631 5.179 -2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.508 4.794 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.878 3.710 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.416 6.640 -0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.885 6.122 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 59 20.817 4.916 1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 59 21.072 4.520 -0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 22.724 6.083 0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 21.765 6.811 -1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 21.518 7.195 0.613 1.00 0.00 H new ATOM 959 N LYS A 60 17.693 4.689 -5.476 1.00 0.00 N ATOM 960 CA LYS A 60 18.023 4.860 -6.886 1.00 0.00 C ATOM 961 C LYS A 60 16.945 5.664 -7.605 1.00 0.00 C ATOM 962 O LYS A 60 17.225 6.370 -8.573 1.00 0.00 O ATOM 963 CB LYS A 60 18.194 3.497 -7.561 1.00 0.00 C ATOM 964 CG LYS A 60 18.653 3.587 -9.006 1.00 0.00 C ATOM 965 CD LYS A 60 18.396 2.290 -9.754 1.00 0.00 C ATOM 966 CE LYS A 60 19.299 2.160 -10.971 1.00 0.00 C ATOM 967 NZ LYS A 60 18.718 1.248 -11.997 1.00 0.00 N ATOM 0 H LYS A 60 17.267 3.791 -5.249 1.00 0.00 H new ATOM 0 HA LYS A 60 18.962 5.409 -6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 60 18.916 2.909 -6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 60 17.246 2.960 -7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 60 18.132 4.405 -9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 60 19.717 3.821 -9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 60 18.560 1.445 -9.086 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.353 2.250 -10.068 1.00 0.00 H new ATOM 0 HE2 LYS A 60 19.461 3.144 -11.410 1.00 0.00 H new ATOM 0 HE3 LYS A 60 20.274 1.784 -10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 19.363 1.185 -12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 18.587 0.302 -11.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 17.799 1.620 -12.311 1.00 0.00 H new ATOM 981 N ASP A 61 15.711 5.554 -7.122 1.00 0.00 N ATOM 982 CA ASP A 61 14.590 6.272 -7.717 1.00 0.00 C ATOM 983 C ASP A 61 14.705 7.771 -7.456 1.00 0.00 C ATOM 984 O ASP A 61 14.904 8.559 -8.381 1.00 0.00 O ATOM 985 CB ASP A 61 13.267 5.745 -7.161 1.00 0.00 C ATOM 986 CG ASP A 61 12.652 4.675 -8.043 1.00 0.00 C ATOM 987 OD1 ASP A 61 13.407 3.818 -8.548 1.00 0.00 O ATOM 988 OD2 ASP A 61 11.418 4.698 -8.230 1.00 0.00 O ATOM 0 H ASP A 61 15.463 4.974 -6.320 1.00 0.00 H new ATOM 0 HA ASP A 61 14.614 6.106 -8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.432 5.338 -6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.565 6.572 -7.056 1.00 0.00 H new ATOM 993 N PHE A 62 14.580 8.157 -6.190 1.00 0.00 N ATOM 994 CA PHE A 62 14.668 9.562 -5.807 1.00 0.00 C ATOM 995 C PHE A 62 15.435 9.720 -4.498 1.00 0.00 C ATOM 996 O PHE A 62 15.103 10.571 -3.672 1.00 0.00 O ATOM 997 CB PHE A 62 13.268 10.163 -5.669 1.00 0.00 C ATOM 998 CG PHE A 62 12.382 9.896 -6.851 1.00 0.00 C ATOM 999 CD1 PHE A 62 12.640 10.492 -8.075 1.00 0.00 C ATOM 1000 CD2 PHE A 62 11.291 9.050 -6.739 1.00 0.00 C ATOM 1001 CE1 PHE A 62 11.825 10.250 -9.166 1.00 0.00 C ATOM 1002 CE2 PHE A 62 10.472 8.802 -7.827 1.00 0.00 C ATOM 1003 CZ PHE A 62 10.741 9.402 -9.041 1.00 0.00 C ATOM 0 H PHE A 62 14.418 7.517 -5.412 1.00 0.00 H new ATOM 0 HA PHE A 62 15.208 10.095 -6.590 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.796 9.761 -4.773 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.356 11.240 -5.527 1.00 0.00 H new ATOM 0 HD1 PHE A 62 13.488 11.153 -8.178 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.077 8.578 -5.791 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.035 10.723 -10.114 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.624 8.140 -7.726 1.00 0.00 H new ATOM 0 HZ PHE A 62 10.105 9.209 -9.892 1.00 0.00 H new ATOM 1013 N ALA A 63 16.462 8.896 -4.315 1.00 0.00 N ATOM 1014 CA ALA A 63 17.275 8.947 -3.108 1.00 0.00 C ATOM 1015 C ALA A 63 16.406 8.906 -1.857 1.00 0.00 C ATOM 1016 O ALA A 63 16.469 9.803 -1.015 1.00 0.00 O ATOM 1017 CB ALA A 63 18.144 10.197 -3.108 1.00 0.00 C ATOM 0 H ALA A 63 16.750 8.186 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 63 17.920 8.069 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.746 10.222 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.800 10.184 -3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.509 11.082 -3.146 1.00 0.00 H new ATOM 1023 N CYS A 64 15.595 7.859 -1.741 1.00 0.00 N ATOM 1024 CA CYS A 64 14.710 7.702 -0.591 1.00 0.00 C ATOM 1025 C CYS A 64 15.243 6.640 0.364 1.00 0.00 C ATOM 1026 O CYS A 64 14.993 5.449 0.187 1.00 0.00 O ATOM 1027 CB CYS A 64 13.300 7.328 -1.055 1.00 0.00 C ATOM 1028 SG CYS A 64 12.146 8.719 -1.104 1.00 0.00 S ATOM 0 H CYS A 64 15.532 7.108 -2.428 1.00 0.00 H new ATOM 0 HA CYS A 64 14.670 8.653 -0.061 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.362 6.886 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.901 6.562 -0.390 1.00 0.00 H new ATOM 0 HG CYS A 64 12.429 9.552 -0.147 1.00 0.00 H new ATOM 1034 N ASN A 65 15.982 7.082 1.377 1.00 0.00 N ATOM 1035 CA ASN A 65 16.554 6.168 2.361 1.00 0.00 C ATOM 1036 C ASN A 65 15.482 5.247 2.935 1.00 0.00 C ATOM 1037 O ASN A 65 14.687 5.654 3.782 1.00 0.00 O ATOM 1038 CB ASN A 65 17.225 6.953 3.488 1.00 0.00 C ATOM 1039 CG ASN A 65 18.737 6.859 3.438 1.00 0.00 C ATOM 1040 OD1 ASN A 65 19.303 5.766 3.467 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.401 8.007 3.365 1.00 0.00 N ATOM 0 H ASN A 65 16.199 8.066 1.538 1.00 0.00 H new ATOM 0 HA ASN A 65 17.303 5.556 1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.927 8.000 3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.872 6.578 4.449 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.420 8.005 3.331 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.891 8.890 3.343 1.00 0.00 H new ATOM 1048 N GLY A 66 15.467 4.002 2.470 1.00 0.00 N ATOM 1049 CA GLY A 66 14.489 3.043 2.949 1.00 0.00 C ATOM 1050 C GLY A 66 15.114 1.950 3.793 1.00 0.00 C ATOM 1051 O GLY A 66 15.392 0.857 3.301 1.00 0.00 O ATOM 0 H GLY A 66 16.115 3.640 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.732 3.563 3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.978 2.593 2.097 1.00 0.00 H new ATOM 1055 N ASN A 67 15.338 2.247 5.069 1.00 0.00 N ATOM 1056 CA ASN A 67 15.938 1.281 5.984 1.00 0.00 C ATOM 1057 C ASN A 67 14.863 0.541 6.774 1.00 0.00 C ATOM 1058 O ASN A 67 13.681 0.885 6.709 1.00 0.00 O ATOM 1059 CB ASN A 67 16.898 1.986 6.945 1.00 0.00 C ATOM 1060 CG ASN A 67 17.627 3.143 6.289 1.00 0.00 C ATOM 1061 OD1 ASN A 67 18.278 2.974 5.258 1.00 0.00 O ATOM 1062 ND2 ASN A 67 17.522 4.323 6.887 1.00 0.00 N ATOM 0 H ASN A 67 15.114 3.147 5.493 1.00 0.00 H new ATOM 0 HA ASN A 67 16.495 0.554 5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.341 2.353 7.807 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.626 1.267 7.319 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.992 5.138 6.493 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.971 4.415 7.740 1.00 0.00 H new ATOM 1069 N ILE A 68 15.280 -0.476 7.521 1.00 0.00 N ATOM 1070 CA ILE A 68 14.353 -1.264 8.324 1.00 0.00 C ATOM 1071 C ILE A 68 14.745 -1.238 9.798 1.00 0.00 C ATOM 1072 O ILE A 68 15.906 -1.011 10.140 1.00 0.00 O ATOM 1073 CB ILE A 68 14.295 -2.727 7.845 1.00 0.00 C ATOM 1074 CG1 ILE A 68 13.046 -3.416 8.395 1.00 0.00 C ATOM 1075 CG2 ILE A 68 15.550 -3.474 8.271 1.00 0.00 C ATOM 1076 CD1 ILE A 68 12.637 -4.643 7.609 1.00 0.00 C ATOM 0 H ILE A 68 16.253 -0.773 7.587 1.00 0.00 H new ATOM 0 HA ILE A 68 13.368 -0.813 8.204 1.00 0.00 H new ATOM 0 HB ILE A 68 14.243 -2.736 6.756 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.225 -3.701 9.432 1.00 0.00 H new ATOM 0 HG13 ILE A 68 12.220 -2.705 8.398 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.494 -4.506 7.925 1.00 0.00 H new ATOM 0 HG22 ILE A 68 16.426 -2.992 7.836 1.00 0.00 H new ATOM 0 HG23 ILE A 68 15.631 -3.459 9.358 1.00 0.00 H new ATOM 0 HD11 ILE A 68 11.744 -5.080 8.056 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.426 -4.361 6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.446 -5.373 7.627 1.00 0.00 H new ATOM 1088 N VAL A 69 13.768 -1.477 10.668 1.00 0.00 N ATOM 1089 CA VAL A 69 14.012 -1.485 12.105 1.00 0.00 C ATOM 1090 C VAL A 69 13.253 -2.620 12.785 1.00 0.00 C ATOM 1091 O VAL A 69 12.385 -3.249 12.181 1.00 0.00 O ATOM 1092 CB VAL A 69 13.598 -0.149 12.752 1.00 0.00 C ATOM 1093 CG1 VAL A 69 14.451 0.138 13.980 1.00 0.00 C ATOM 1094 CG2 VAL A 69 13.705 0.986 11.743 1.00 0.00 C ATOM 0 H VAL A 69 12.802 -1.667 10.403 1.00 0.00 H new ATOM 0 HA VAL A 69 15.083 -1.632 12.243 1.00 0.00 H new ATOM 0 HB VAL A 69 12.559 -0.227 13.071 1.00 0.00 H new ATOM 0 HG11 VAL A 69 14.144 1.085 14.423 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.321 -0.662 14.708 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.500 0.197 13.689 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.409 1.922 12.216 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.734 1.066 11.393 1.00 0.00 H new ATOM 0 HG23 VAL A 69 13.048 0.784 10.897 1.00 0.00 H new ATOM 1104 N LYS A 70 13.590 -2.877 14.045 1.00 0.00 N ATOM 1105 CA LYS A 70 12.940 -3.936 14.809 1.00 0.00 C ATOM 1106 C LYS A 70 12.583 -3.453 16.212 1.00 0.00 C ATOM 1107 O LYS A 70 13.463 -3.187 17.030 1.00 0.00 O ATOM 1108 CB LYS A 70 13.852 -5.162 14.896 1.00 0.00 C ATOM 1109 CG LYS A 70 13.244 -6.317 15.673 1.00 0.00 C ATOM 1110 CD LYS A 70 14.314 -7.256 16.204 1.00 0.00 C ATOM 1111 CE LYS A 70 14.098 -8.681 15.716 1.00 0.00 C ATOM 1112 NZ LYS A 70 14.854 -9.668 16.535 1.00 0.00 N ATOM 0 H LYS A 70 14.309 -2.367 14.558 1.00 0.00 H new ATOM 0 HA LYS A 70 12.020 -4.211 14.294 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.091 -5.499 13.887 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.792 -4.873 15.367 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.655 -5.928 16.504 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.560 -6.870 15.029 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.296 -6.907 15.886 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.307 -7.239 17.294 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.035 -8.919 15.750 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.409 -8.759 14.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.681 -10.627 16.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.871 -9.456 16.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.539 -9.611 17.525 1.00 0.00 H new ATOM 1126 N ASP A 71 11.287 -3.346 16.482 1.00 0.00 N ATOM 1127 CA ASP A 71 10.813 -2.898 17.785 1.00 0.00 C ATOM 1128 C ASP A 71 10.357 -4.082 18.634 1.00 0.00 C ATOM 1129 O ASP A 71 10.063 -5.164 18.126 1.00 0.00 O ATOM 1130 CB ASP A 71 9.664 -1.902 17.621 1.00 0.00 C ATOM 1131 CG ASP A 71 10.154 -0.478 17.437 1.00 0.00 C ATOM 1132 OD1 ASP A 71 11.213 -0.293 16.800 1.00 0.00 O ATOM 1133 OD2 ASP A 71 9.480 0.448 17.930 1.00 0.00 O ATOM 0 H ASP A 71 10.546 -3.564 15.816 1.00 0.00 H new ATOM 0 HA ASP A 71 11.641 -2.405 18.294 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.058 -2.189 16.761 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.017 -1.950 18.497 1.00 0.00 H new ATOM 1138 N PRO A 72 10.296 -3.874 19.958 1.00 0.00 N ATOM 1139 CA PRO A 72 9.878 -4.912 20.905 1.00 0.00 C ATOM 1140 C PRO A 72 8.393 -5.237 20.789 1.00 0.00 C ATOM 1141 O PRO A 72 7.902 -6.175 21.418 1.00 0.00 O ATOM 1142 CB PRO A 72 10.185 -4.292 22.270 1.00 0.00 C ATOM 1143 CG PRO A 72 10.138 -2.821 22.037 1.00 0.00 C ATOM 1144 CD PRO A 72 10.632 -2.609 20.632 1.00 0.00 C ATOM 0 HA PRO A 72 10.391 -5.857 20.727 1.00 0.00 H new ATOM 0 HB2 PRO A 72 9.453 -4.598 23.017 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.163 -4.604 22.636 1.00 0.00 H new ATOM 0 HG2 PRO A 72 9.124 -2.439 22.156 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.764 -2.292 22.755 1.00 0.00 H new ATOM 0 HD2 PRO A 72 10.142 -1.759 20.158 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.704 -2.413 20.608 1.00 0.00 H new ATOM 1152 N GLU A 73 7.682 -4.456 19.982 1.00 0.00 N ATOM 1153 CA GLU A 73 6.252 -4.662 19.785 1.00 0.00 C ATOM 1154 C GLU A 73 5.992 -5.556 18.576 1.00 0.00 C ATOM 1155 O GLU A 73 5.155 -6.457 18.625 1.00 0.00 O ATOM 1156 CB GLU A 73 5.541 -3.320 19.603 1.00 0.00 C ATOM 1157 CG GLU A 73 4.056 -3.369 19.922 1.00 0.00 C ATOM 1158 CD GLU A 73 3.735 -2.811 21.295 1.00 0.00 C ATOM 1159 OE1 GLU A 73 4.082 -1.641 21.556 1.00 0.00 O ATOM 1160 OE2 GLU A 73 3.137 -3.546 22.109 1.00 0.00 O ATOM 0 H GLU A 73 8.073 -3.675 19.454 1.00 0.00 H new ATOM 0 HA GLU A 73 5.857 -5.157 20.672 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.017 -2.577 20.243 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.672 -2.986 18.574 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.507 -2.805 19.168 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.710 -4.401 19.863 1.00 0.00 H new ATOM 1167 N MET A 74 6.714 -5.298 17.491 1.00 0.00 N ATOM 1168 CA MET A 74 6.562 -6.079 16.268 1.00 0.00 C ATOM 1169 C MET A 74 7.908 -6.622 15.799 1.00 0.00 C ATOM 1170 O MET A 74 8.145 -7.828 15.824 1.00 0.00 O ATOM 1171 CB MET A 74 5.931 -5.225 15.167 1.00 0.00 C ATOM 1172 CG MET A 74 4.718 -5.870 14.517 1.00 0.00 C ATOM 1173 SD MET A 74 3.968 -4.823 13.255 1.00 0.00 S ATOM 1174 CE MET A 74 2.357 -5.592 13.092 1.00 0.00 C ATOM 0 H MET A 74 7.410 -4.555 17.433 1.00 0.00 H new ATOM 0 HA MET A 74 5.906 -6.922 16.484 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.639 -4.263 15.588 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.680 -5.024 14.401 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.012 -6.819 14.069 1.00 0.00 H new ATOM 0 HG3 MET A 74 3.977 -6.096 15.284 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.772 -5.056 12.345 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.479 -6.630 12.782 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.839 -5.558 14.051 1.00 0.00 H new ATOM 1184 N GLY A 75 8.788 -5.721 15.372 1.00 0.00 N ATOM 1185 CA GLY A 75 10.098 -6.130 14.903 1.00 0.00 C ATOM 1186 C GLY A 75 10.190 -6.164 13.390 1.00 0.00 C ATOM 1187 O GLY A 75 10.894 -6.998 12.823 1.00 0.00 O ATOM 0 H GLY A 75 8.617 -4.716 15.343 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.850 -5.445 15.294 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.330 -7.118 15.300 1.00 0.00 H new ATOM 1191 N GLU A 76 9.473 -5.256 12.735 1.00 0.00 N ATOM 1192 CA GLU A 76 9.472 -5.188 11.279 1.00 0.00 C ATOM 1193 C GLU A 76 9.019 -3.813 10.798 1.00 0.00 C ATOM 1194 O GLU A 76 8.281 -3.699 9.819 1.00 0.00 O ATOM 1195 CB GLU A 76 8.563 -6.270 10.695 1.00 0.00 C ATOM 1196 CG GLU A 76 9.167 -6.998 9.505 1.00 0.00 C ATOM 1197 CD GLU A 76 9.395 -8.471 9.777 1.00 0.00 C ATOM 1198 OE1 GLU A 76 8.480 -9.121 10.326 1.00 0.00 O ATOM 1199 OE2 GLU A 76 10.487 -8.975 9.442 1.00 0.00 O ATOM 0 H GLU A 76 8.885 -4.557 13.190 1.00 0.00 H new ATOM 0 HA GLU A 76 10.492 -5.356 10.934 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.330 -6.996 11.474 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.620 -5.815 10.391 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.507 -6.889 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.115 -6.530 9.241 1.00 0.00 H new ATOM 1206 N ILE A 77 9.465 -2.772 11.493 1.00 0.00 N ATOM 1207 CA ILE A 77 9.106 -1.405 11.138 1.00 0.00 C ATOM 1208 C ILE A 77 10.072 -0.833 10.105 1.00 0.00 C ATOM 1209 O ILE A 77 11.212 -0.497 10.426 1.00 0.00 O ATOM 1210 CB ILE A 77 9.093 -0.486 12.375 1.00 0.00 C ATOM 1211 CG1 ILE A 77 7.974 -0.901 13.334 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.926 0.965 11.955 1.00 0.00 C ATOM 1213 CD1 ILE A 77 8.350 -2.056 14.236 1.00 0.00 C ATOM 0 H ILE A 77 10.076 -2.850 12.306 1.00 0.00 H new ATOM 0 HA ILE A 77 8.103 -1.443 10.713 1.00 0.00 H new ATOM 0 HB ILE A 77 10.047 -0.586 12.894 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.697 -0.045 13.949 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.092 -1.175 12.754 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.919 1.601 12.840 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.754 1.254 11.307 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.986 1.082 11.416 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.511 -2.296 14.888 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.598 -2.926 13.628 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.213 -1.779 14.842 1.00 0.00 H new ATOM 1225 N ILE A 78 9.606 -0.726 8.865 1.00 0.00 N ATOM 1226 CA ILE A 78 10.427 -0.193 7.785 1.00 0.00 C ATOM 1227 C ILE A 78 10.471 1.331 7.829 1.00 0.00 C ATOM 1228 O ILE A 78 9.484 1.998 7.524 1.00 0.00 O ATOM 1229 CB ILE A 78 9.907 -0.641 6.407 1.00 0.00 C ATOM 1230 CG1 ILE A 78 9.787 -2.165 6.353 1.00 0.00 C ATOM 1231 CG2 ILE A 78 10.823 -0.137 5.304 1.00 0.00 C ATOM 1232 CD1 ILE A 78 8.377 -2.653 6.105 1.00 0.00 C ATOM 0 H ILE A 78 8.665 -1.001 8.584 1.00 0.00 H new ATOM 0 HA ILE A 78 11.433 -0.588 7.929 1.00 0.00 H new ATOM 0 HB ILE A 78 8.917 -0.212 6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.438 -2.545 5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.147 -2.583 7.293 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.441 -0.463 4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.861 0.952 5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.826 -0.538 5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.368 -3.743 6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.725 -2.304 6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.020 -2.265 5.151 1.00 0.00 H new ATOM 1244 N GLN A 79 11.625 1.873 8.210 1.00 0.00 N ATOM 1245 CA GLN A 79 11.797 3.318 8.293 1.00 0.00 C ATOM 1246 C GLN A 79 12.190 3.898 6.937 1.00 0.00 C ATOM 1247 O GLN A 79 13.074 3.373 6.259 1.00 0.00 O ATOM 1248 CB GLN A 79 12.858 3.667 9.337 1.00 0.00 C ATOM 1249 CG GLN A 79 13.026 5.162 9.558 1.00 0.00 C ATOM 1250 CD GLN A 79 14.471 5.558 9.791 1.00 0.00 C ATOM 1251 OE1 GLN A 79 14.921 5.666 10.932 1.00 0.00 O ATOM 1252 NE2 GLN A 79 15.207 5.779 8.708 1.00 0.00 N ATOM 0 H GLN A 79 12.452 1.334 8.465 1.00 0.00 H new ATOM 0 HA GLN A 79 10.845 3.756 8.593 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.593 3.196 10.284 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.814 3.244 9.027 1.00 0.00 H new ATOM 0 HG2 GLN A 79 12.641 5.699 8.691 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.426 5.469 10.415 1.00 0.00 H new ATOM 0 HE21 GLN A 79 14.794 5.678 7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 79 16.186 6.050 8.803 1.00 0.00 H new ATOM 1261 N LEU A 80 11.528 4.982 6.549 1.00 0.00 N ATOM 1262 CA LEU A 80 11.808 5.634 5.275 1.00 0.00 C ATOM 1263 C LEU A 80 12.001 7.135 5.461 1.00 0.00 C ATOM 1264 O LEU A 80 11.071 7.848 5.840 1.00 0.00 O ATOM 1265 CB LEU A 80 10.670 5.373 4.286 1.00 0.00 C ATOM 1266 CG LEU A 80 11.075 4.768 2.941 1.00 0.00 C ATOM 1267 CD1 LEU A 80 10.402 3.418 2.740 1.00 0.00 C ATOM 1268 CD2 LEU A 80 10.726 5.714 1.803 1.00 0.00 C ATOM 0 H LEU A 80 10.793 5.428 7.098 1.00 0.00 H new ATOM 0 HA LEU A 80 12.732 5.215 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.950 4.706 4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.156 6.315 4.098 1.00 0.00 H new ATOM 0 HG LEU A 80 12.155 4.617 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.701 3.002 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.702 2.739 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.320 3.545 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.022 5.266 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.652 5.897 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.254 6.658 1.939 1.00 0.00 H new ATOM 1280 N GLN A 81 13.213 7.608 5.192 1.00 0.00 N ATOM 1281 CA GLN A 81 13.526 9.027 5.328 1.00 0.00 C ATOM 1282 C GLN A 81 13.274 9.769 4.021 1.00 0.00 C ATOM 1283 O GLN A 81 13.885 9.467 2.996 1.00 0.00 O ATOM 1284 CB GLN A 81 14.983 9.209 5.759 1.00 0.00 C ATOM 1285 CG GLN A 81 15.278 10.580 6.345 1.00 0.00 C ATOM 1286 CD GLN A 81 15.104 10.621 7.851 1.00 0.00 C ATOM 1287 OE1 GLN A 81 14.196 9.996 8.399 1.00 0.00 O ATOM 1288 NE2 GLN A 81 15.978 11.357 8.528 1.00 0.00 N ATOM 0 H GLN A 81 13.994 7.031 4.879 1.00 0.00 H new ATOM 0 HA GLN A 81 12.872 9.446 6.093 1.00 0.00 H new ATOM 0 HB2 GLN A 81 15.233 8.446 6.497 1.00 0.00 H new ATOM 0 HB3 GLN A 81 15.631 9.044 4.898 1.00 0.00 H new ATOM 0 HG2 GLN A 81 16.299 10.866 6.093 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.618 11.316 5.887 1.00 0.00 H new ATOM 0 HE21 GLN A 81 16.715 11.858 8.032 1.00 0.00 H new ATOM 0 HE22 GLN A 81 15.912 11.421 9.544 1.00 0.00 H new ATOM 1297 N GLY A 82 12.369 10.742 4.062 1.00 0.00 N ATOM 1298 CA GLY A 82 12.051 11.512 2.875 1.00 0.00 C ATOM 1299 C GLY A 82 10.710 12.210 2.977 1.00 0.00 C ATOM 1300 O GLY A 82 9.870 11.839 3.799 1.00 0.00 O ATOM 0 H GLY A 82 11.850 11.011 4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.831 12.254 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.048 10.852 2.008 1.00 0.00 H new ATOM 1304 N ASP A 83 10.506 13.223 2.143 1.00 0.00 N ATOM 1305 CA ASP A 83 9.256 13.975 2.144 1.00 0.00 C ATOM 1306 C ASP A 83 8.336 13.502 1.024 1.00 0.00 C ATOM 1307 O ASP A 83 7.541 14.276 0.492 1.00 0.00 O ATOM 1308 CB ASP A 83 9.536 15.472 1.993 1.00 0.00 C ATOM 1309 CG ASP A 83 8.610 16.322 2.839 1.00 0.00 C ATOM 1310 OD1 ASP A 83 7.394 16.335 2.556 1.00 0.00 O ATOM 1311 OD2 ASP A 83 9.102 16.976 3.783 1.00 0.00 O ATOM 0 H ASP A 83 11.190 13.543 1.457 1.00 0.00 H new ATOM 0 HA ASP A 83 8.757 13.801 3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.569 15.676 2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.429 15.755 0.946 1.00 0.00 H new ATOM 1316 N GLN A 84 8.450 12.225 0.671 1.00 0.00 N ATOM 1317 CA GLN A 84 7.629 11.650 -0.387 1.00 0.00 C ATOM 1318 C GLN A 84 6.732 10.544 0.159 1.00 0.00 C ATOM 1319 O GLN A 84 6.739 9.421 -0.343 1.00 0.00 O ATOM 1320 CB GLN A 84 8.515 11.097 -1.506 1.00 0.00 C ATOM 1321 CG GLN A 84 9.591 12.068 -1.966 1.00 0.00 C ATOM 1322 CD GLN A 84 10.928 11.818 -1.295 1.00 0.00 C ATOM 1323 OE1 GLN A 84 10.987 11.450 -0.122 1.00 0.00 O ATOM 1324 NE2 GLN A 84 12.010 12.019 -2.038 1.00 0.00 N ATOM 0 H GLN A 84 9.102 11.570 1.102 1.00 0.00 H new ATOM 0 HA GLN A 84 6.996 12.441 -0.790 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.990 10.178 -1.162 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.888 10.832 -2.357 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.710 11.987 -3.046 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.269 13.088 -1.756 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.914 12.324 -3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.937 11.868 -1.640 1.00 0.00 H new ATOM 1333 N ARG A 85 5.962 10.871 1.192 1.00 0.00 N ATOM 1334 CA ARG A 85 5.060 9.905 1.808 1.00 0.00 C ATOM 1335 C ARG A 85 4.059 9.370 0.788 1.00 0.00 C ATOM 1336 O ARG A 85 3.964 8.161 0.574 1.00 0.00 O ATOM 1337 CB ARG A 85 4.315 10.547 2.980 1.00 0.00 C ATOM 1338 CG ARG A 85 3.615 9.542 3.880 1.00 0.00 C ATOM 1339 CD ARG A 85 2.233 9.188 3.349 1.00 0.00 C ATOM 1340 NE ARG A 85 1.179 9.523 4.301 1.00 0.00 N ATOM 1341 CZ ARG A 85 -0.108 9.268 4.091 1.00 0.00 C ATOM 1342 NH1 ARG A 85 -0.497 8.679 2.968 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -1.010 9.602 5.006 1.00 0.00 N ATOM 0 H ARG A 85 5.945 11.797 1.620 1.00 0.00 H new ATOM 0 HA ARG A 85 5.657 9.072 2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.021 11.125 3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.577 11.249 2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.219 8.638 3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.526 9.953 4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.058 9.718 2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.193 8.122 3.124 1.00 0.00 H new ATOM 0 HE ARG A 85 1.445 9.977 5.175 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.193 8.420 2.262 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.486 8.485 2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.715 10.055 5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.998 9.406 4.844 1.00 0.00 H new ATOM 1357 N ALA A 86 3.315 10.276 0.164 1.00 0.00 N ATOM 1358 CA ALA A 86 2.322 9.895 -0.833 1.00 0.00 C ATOM 1359 C ALA A 86 2.944 9.027 -1.922 1.00 0.00 C ATOM 1360 O ALA A 86 2.262 8.216 -2.550 1.00 0.00 O ATOM 1361 CB ALA A 86 1.682 11.133 -1.442 1.00 0.00 C ATOM 0 H ALA A 86 3.381 11.280 0.331 1.00 0.00 H new ATOM 0 HA ALA A 86 1.549 9.309 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.943 10.833 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.194 11.713 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.450 11.742 -1.920 1.00 0.00 H new ATOM 1367 N LYS A 87 4.242 9.204 -2.144 1.00 0.00 N ATOM 1368 CA LYS A 87 4.956 8.438 -3.158 1.00 0.00 C ATOM 1369 C LYS A 87 5.187 7.003 -2.694 1.00 0.00 C ATOM 1370 O LYS A 87 4.995 6.056 -3.455 1.00 0.00 O ATOM 1371 CB LYS A 87 6.297 9.104 -3.478 1.00 0.00 C ATOM 1372 CG LYS A 87 6.723 8.949 -4.928 1.00 0.00 C ATOM 1373 CD LYS A 87 6.953 10.297 -5.589 1.00 0.00 C ATOM 1374 CE LYS A 87 5.637 10.980 -5.932 1.00 0.00 C ATOM 1375 NZ LYS A 87 5.455 12.247 -5.172 1.00 0.00 N ATOM 0 H LYS A 87 4.821 9.872 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 87 4.343 8.415 -4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.232 10.165 -3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.067 8.679 -2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.637 8.358 -4.978 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.958 8.400 -5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.533 10.936 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.542 10.163 -6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.605 11.190 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.810 10.304 -5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.547 12.682 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.460 12.044 -4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.230 12.902 -5.398 1.00 0.00 H new ATOM 1389 N VAL A 88 5.598 6.851 -1.438 1.00 0.00 N ATOM 1390 CA VAL A 88 5.851 5.531 -0.873 1.00 0.00 C ATOM 1391 C VAL A 88 4.582 4.690 -0.848 1.00 0.00 C ATOM 1392 O VAL A 88 4.632 3.465 -0.968 1.00 0.00 O ATOM 1393 CB VAL A 88 6.416 5.633 0.558 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.643 4.247 1.141 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.703 6.443 0.566 1.00 0.00 C ATOM 0 H VAL A 88 5.762 7.625 -0.794 1.00 0.00 H new ATOM 0 HA VAL A 88 6.589 5.048 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 88 5.687 6.149 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.042 4.338 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.697 3.706 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.353 3.702 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.088 6.505 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.442 5.959 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.503 7.447 0.192 1.00 0.00 H new ATOM 1405 N CYS A 89 3.441 5.356 -0.692 1.00 0.00 N ATOM 1406 CA CYS A 89 2.155 4.668 -0.652 1.00 0.00 C ATOM 1407 C CYS A 89 1.698 4.286 -2.055 1.00 0.00 C ATOM 1408 O CYS A 89 1.123 3.218 -2.261 1.00 0.00 O ATOM 1409 CB CYS A 89 1.102 5.554 0.018 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.252 4.637 0.789 1.00 0.00 S ATOM 0 H CYS A 89 3.381 6.369 -0.591 1.00 0.00 H new ATOM 0 HA CYS A 89 2.276 3.755 -0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.588 6.168 0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.688 6.234 -0.726 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.089 5.472 1.330 1.00 0.00 H new ATOM 1416 N GLU A 90 1.957 5.168 -3.016 1.00 0.00 N ATOM 1417 CA GLU A 90 1.569 4.923 -4.401 1.00 0.00 C ATOM 1418 C GLU A 90 2.437 3.834 -5.024 1.00 0.00 C ATOM 1419 O GLU A 90 1.974 3.060 -5.863 1.00 0.00 O ATOM 1420 CB GLU A 90 1.680 6.211 -5.220 1.00 0.00 C ATOM 1421 CG GLU A 90 0.998 6.130 -6.575 1.00 0.00 C ATOM 1422 CD GLU A 90 0.834 7.488 -7.228 1.00 0.00 C ATOM 1423 OE1 GLU A 90 1.771 8.310 -7.131 1.00 0.00 O ATOM 1424 OE2 GLU A 90 -0.229 7.732 -7.834 1.00 0.00 O ATOM 0 H GLU A 90 2.433 6.057 -2.861 1.00 0.00 H new ATOM 0 HA GLU A 90 0.533 4.585 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.244 7.032 -4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.734 6.449 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.579 5.483 -7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.018 5.667 -6.457 1.00 0.00 H new ATOM 1431 N PHE A 91 3.698 3.781 -4.610 1.00 0.00 N ATOM 1432 CA PHE A 91 4.632 2.788 -5.127 1.00 0.00 C ATOM 1433 C PHE A 91 4.434 1.443 -4.436 1.00 0.00 C ATOM 1434 O PHE A 91 4.641 0.387 -5.037 1.00 0.00 O ATOM 1435 CB PHE A 91 6.073 3.264 -4.937 1.00 0.00 C ATOM 1436 CG PHE A 91 7.016 2.758 -5.991 1.00 0.00 C ATOM 1437 CD1 PHE A 91 7.616 1.517 -5.864 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.301 3.525 -7.109 1.00 0.00 C ATOM 1439 CE1 PHE A 91 8.485 1.049 -6.832 1.00 0.00 C ATOM 1440 CE2 PHE A 91 8.168 3.062 -8.081 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.760 1.822 -7.943 1.00 0.00 C ATOM 0 H PHE A 91 4.097 4.415 -3.917 1.00 0.00 H new ATOM 0 HA PHE A 91 4.436 2.662 -6.192 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.090 4.354 -4.939 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.428 2.941 -3.958 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.403 0.907 -4.999 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.841 4.495 -7.222 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.948 0.080 -6.720 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.382 3.670 -8.948 1.00 0.00 H new ATOM 0 HZ PHE A 91 9.436 1.458 -8.702 1.00 0.00 H new ATOM 1451 N MET A 92 4.031 1.487 -3.170 1.00 0.00 N ATOM 1452 CA MET A 92 3.805 0.272 -2.398 1.00 0.00 C ATOM 1453 C MET A 92 2.605 -0.501 -2.938 1.00 0.00 C ATOM 1454 O MET A 92 2.669 -1.717 -3.116 1.00 0.00 O ATOM 1455 CB MET A 92 3.584 0.613 -0.923 1.00 0.00 C ATOM 1456 CG MET A 92 4.828 0.446 -0.066 1.00 0.00 C ATOM 1457 SD MET A 92 5.104 -1.265 0.431 1.00 0.00 S ATOM 1458 CE MET A 92 6.359 -1.763 -0.746 1.00 0.00 C ATOM 0 H MET A 92 3.854 2.351 -2.658 1.00 0.00 H new ATOM 0 HA MET A 92 4.691 -0.356 -2.490 1.00 0.00 H new ATOM 0 HB2 MET A 92 3.235 1.643 -0.845 1.00 0.00 H new ATOM 0 HB3 MET A 92 2.792 -0.023 -0.527 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.696 0.804 -0.619 1.00 0.00 H new ATOM 0 HG3 MET A 92 4.738 1.069 0.824 1.00 0.00 H new ATOM 0 HE1 MET A 92 6.965 -2.560 -0.316 1.00 0.00 H new ATOM 0 HE2 MET A 92 5.881 -2.122 -1.657 1.00 0.00 H new ATOM 0 HE3 MET A 92 6.996 -0.910 -0.982 1.00 0.00 H new ATOM 1468 N ILE A 93 1.515 0.214 -3.197 1.00 0.00 N ATOM 1469 CA ILE A 93 0.303 -0.405 -3.717 1.00 0.00 C ATOM 1470 C ILE A 93 0.462 -0.773 -5.189 1.00 0.00 C ATOM 1471 O ILE A 93 0.021 -1.836 -5.624 1.00 0.00 O ATOM 1472 CB ILE A 93 -0.916 0.523 -3.561 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -1.076 0.946 -2.098 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.176 -0.169 -4.060 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -2.141 2.000 -1.889 1.00 0.00 C ATOM 0 H ILE A 93 1.447 1.222 -3.055 1.00 0.00 H new ATOM 0 HA ILE A 93 0.137 -1.311 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.755 1.417 -4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.321 0.069 -1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.123 1.326 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.029 0.500 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.058 -0.426 -5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.345 -1.078 -3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.200 2.252 -0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.887 2.892 -2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.104 1.616 -2.225 1.00 0.00 H new ATOM 1487 N SER A 94 1.094 0.114 -5.950 1.00 0.00 N ATOM 1488 CA SER A 94 1.310 -0.115 -7.374 1.00 0.00 C ATOM 1489 C SER A 94 2.267 -1.284 -7.597 1.00 0.00 C ATOM 1490 O SER A 94 2.235 -1.934 -8.641 1.00 0.00 O ATOM 1491 CB SER A 94 1.865 1.147 -8.037 1.00 0.00 C ATOM 1492 OG SER A 94 0.887 2.170 -8.084 1.00 0.00 O ATOM 0 H SER A 94 1.466 0.999 -5.604 1.00 0.00 H new ATOM 0 HA SER A 94 0.350 -0.362 -7.827 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.737 1.498 -7.485 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.200 0.913 -9.047 1.00 0.00 H new ATOM 0 HG SER A 94 1.076 2.835 -7.390 1.00 0.00 H new ATOM 1498 N GLN A 95 3.116 -1.542 -6.608 1.00 0.00 N ATOM 1499 CA GLN A 95 4.082 -2.632 -6.696 1.00 0.00 C ATOM 1500 C GLN A 95 3.537 -3.896 -6.044 1.00 0.00 C ATOM 1501 O GLN A 95 3.912 -5.009 -6.413 1.00 0.00 O ATOM 1502 CB GLN A 95 5.398 -2.226 -6.032 1.00 0.00 C ATOM 1503 CG GLN A 95 6.470 -3.303 -6.103 1.00 0.00 C ATOM 1504 CD GLN A 95 6.821 -3.869 -4.741 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.686 -3.340 -4.041 1.00 0.00 O ATOM 1506 NE2 GLN A 95 6.150 -4.946 -4.355 1.00 0.00 N ATOM 0 H GLN A 95 3.155 -1.012 -5.737 1.00 0.00 H new ATOM 0 HA GLN A 95 4.264 -2.841 -7.750 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.772 -1.320 -6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.208 -1.981 -4.987 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.126 -4.110 -6.750 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.367 -2.887 -6.562 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.442 -5.352 -4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.342 -5.368 -3.447 1.00 0.00 H new ATOM 1515 N LEU A 96 2.649 -3.719 -5.070 1.00 0.00 N ATOM 1516 CA LEU A 96 2.053 -4.848 -4.364 1.00 0.00 C ATOM 1517 C LEU A 96 0.973 -5.511 -5.213 1.00 0.00 C ATOM 1518 O LEU A 96 0.668 -6.691 -5.040 1.00 0.00 O ATOM 1519 CB LEU A 96 1.457 -4.385 -3.033 1.00 0.00 C ATOM 1520 CG LEU A 96 2.426 -4.317 -1.852 1.00 0.00 C ATOM 1521 CD1 LEU A 96 1.931 -3.324 -0.813 1.00 0.00 C ATOM 1522 CD2 LEU A 96 2.610 -5.693 -1.232 1.00 0.00 C ATOM 0 H LEU A 96 2.327 -2.805 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 96 2.838 -5.579 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.021 -3.396 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.641 -5.058 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 96 3.393 -3.975 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.633 -3.289 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.853 -2.335 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.952 -3.636 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.303 -5.624 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.648 -6.064 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.011 -6.378 -1.979 1.00 0.00 H new ATOM 1534 N GLY A 97 0.397 -4.745 -6.136 1.00 0.00 N ATOM 1535 CA GLY A 97 -0.640 -5.276 -7.000 1.00 0.00 C ATOM 1536 C GLY A 97 -2.013 -4.736 -6.656 1.00 0.00 C ATOM 1537 O GLY A 97 -2.997 -5.477 -6.649 1.00 0.00 O ATOM 0 H GLY A 97 0.631 -3.766 -6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.406 -5.032 -8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.651 -6.363 -6.924 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.084 -3.441 -6.369 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.348 -2.802 -6.020 1.00 0.00 C ATOM 1543 C LEU A 98 -3.911 -3.380 -4.725 1.00 0.00 C ATOM 1544 O LEU A 98 -5.053 -3.835 -4.684 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.360 -2.976 -7.153 1.00 0.00 C ATOM 1546 CG LEU A 98 -3.808 -2.843 -8.573 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -4.891 -3.144 -9.597 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -3.234 -1.450 -8.793 1.00 0.00 C ATOM 0 H LEU A 98 -1.281 -2.812 -6.371 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.160 -1.739 -5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.820 -3.959 -7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.152 -2.239 -7.022 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.005 -3.569 -8.701 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.480 -3.044 -10.602 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.255 -4.161 -9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.716 -2.442 -9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.846 -1.373 -9.809 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.017 -0.706 -8.647 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.428 -1.272 -8.082 1.00 0.00 H new ATOM 1560 N GLN A 99 -3.103 -3.354 -3.671 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.521 -3.874 -2.375 1.00 0.00 C ATOM 1562 C GLN A 99 -4.099 -2.763 -1.504 1.00 0.00 C ATOM 1563 O GLN A 99 -3.416 -1.789 -1.187 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.342 -4.537 -1.662 1.00 0.00 C ATOM 1565 CG GLN A 99 -2.760 -5.504 -0.566 1.00 0.00 C ATOM 1566 CD GLN A 99 -2.454 -6.948 -0.915 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -3.285 -7.650 -1.491 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -1.254 -7.399 -0.568 1.00 0.00 N ATOM 0 H GLN A 99 -2.155 -2.978 -3.689 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.298 -4.619 -2.545 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.738 -5.071 -2.396 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.708 -3.763 -1.230 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.248 -5.241 0.360 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.829 -5.397 -0.381 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.596 -6.783 -0.092 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.991 -8.362 -0.778 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.361 -2.915 -1.119 1.00 0.00 N ATOM 1578 CA LYS A 100 -6.032 -1.927 -0.283 1.00 0.00 C ATOM 1579 C LYS A 100 -7.096 -2.583 0.591 1.00 0.00 C ATOM 1580 O LYS A 100 -7.990 -1.913 1.109 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.670 -0.841 -1.154 1.00 0.00 C ATOM 1582 CG LYS A 100 -7.853 -1.333 -1.970 1.00 0.00 C ATOM 1583 CD LYS A 100 -8.019 -0.534 -3.250 1.00 0.00 C ATOM 1584 CE LYS A 100 -8.831 -1.298 -4.284 1.00 0.00 C ATOM 1585 NZ LYS A 100 -8.986 -0.528 -5.548 1.00 0.00 N ATOM 0 H LYS A 100 -5.941 -3.715 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.285 -1.472 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.996 -0.020 -0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.915 -0.439 -1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.715 -2.387 -2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.763 -1.260 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.511 0.413 -3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.038 -0.295 -3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.345 -2.250 -4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.815 -1.527 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.545 -1.083 -6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.473 0.369 -5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.048 -0.331 -5.952 1.00 0.00 H new ATOM 1599 N LYS A 101 -6.994 -3.898 0.750 1.00 0.00 N ATOM 1600 CA LYS A 101 -7.946 -4.647 1.563 1.00 0.00 C ATOM 1601 C LYS A 101 -8.038 -4.063 2.968 1.00 0.00 C ATOM 1602 O LYS A 101 -9.064 -4.186 3.636 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.538 -6.120 1.636 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.297 -7.011 0.669 1.00 0.00 C ATOM 1605 CD LYS A 101 -9.138 -8.041 1.401 1.00 0.00 C ATOM 1606 CE LYS A 101 -8.433 -9.387 1.473 1.00 0.00 C ATOM 1607 NZ LYS A 101 -8.900 -10.316 0.407 1.00 0.00 N ATOM 0 H LYS A 101 -6.262 -4.468 0.327 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.926 -4.572 1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.471 -6.203 1.432 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.697 -6.482 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.940 -6.398 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.592 -7.518 0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.352 -7.687 2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.096 -8.157 0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.357 -9.239 1.380 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.609 -9.837 2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.396 -11.222 0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.922 -10.478 0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.709 -9.898 -0.526 1.00 0.00 H new ATOM 1621 N ASN A 102 -6.958 -3.427 3.413 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.918 -2.823 4.740 1.00 0.00 C ATOM 1623 C ASN A 102 -5.638 -2.013 4.930 1.00 0.00 C ATOM 1624 O ASN A 102 -4.579 -2.376 4.414 1.00 0.00 O ATOM 1625 CB ASN A 102 -7.016 -3.904 5.818 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.521 -3.358 7.139 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -7.489 -2.151 7.378 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -7.991 -4.248 8.005 1.00 0.00 N ATOM 0 H ASN A 102 -6.099 -3.317 2.874 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.770 -2.150 4.832 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.683 -4.695 5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.035 -4.356 5.966 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -8.345 -3.941 8.911 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -7.998 -5.239 7.764 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.744 -0.919 5.674 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.595 -0.059 5.934 1.00 0.00 C ATOM 1637 C ILE A 103 -4.622 0.478 7.361 1.00 0.00 C ATOM 1638 O ILE A 103 -5.596 1.101 7.784 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.544 1.127 4.952 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -3.267 1.942 5.168 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -5.775 2.006 5.120 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -3.166 3.155 4.269 1.00 0.00 C ATOM 0 H ILE A 103 -6.613 -0.606 6.108 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.705 -0.673 5.796 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.535 0.737 3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.224 2.266 6.208 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.403 1.300 4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.725 2.840 4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.671 1.419 4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -5.811 2.390 6.139 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.237 3.685 4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.178 2.837 3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -4.011 3.818 4.456 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.544 0.233 8.100 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.442 0.694 9.479 1.00 0.00 C ATOM 1656 C LYS A 104 -2.604 1.966 9.567 1.00 0.00 C ATOM 1657 O LYS A 104 -1.374 1.913 9.550 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.825 -0.397 10.358 1.00 0.00 C ATOM 1659 CG LYS A 104 -3.812 -1.032 11.322 1.00 0.00 C ATOM 1660 CD LYS A 104 -3.896 -0.255 12.625 1.00 0.00 C ATOM 1661 CE LYS A 104 -4.939 -0.848 13.562 1.00 0.00 C ATOM 1662 NZ LYS A 104 -5.678 0.208 14.307 1.00 0.00 N ATOM 0 H LYS A 104 -2.729 -0.282 7.766 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.447 0.916 9.837 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.405 -1.173 9.718 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.999 0.030 10.926 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.798 -1.076 10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.511 -2.059 11.528 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.922 -0.257 13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.144 0.785 12.414 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.644 -1.448 12.987 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.452 -1.519 14.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.379 -0.236 14.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.008 0.765 14.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.164 0.833 13.633 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.278 3.108 9.662 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.595 4.392 9.755 1.00 0.00 C ATOM 1678 C ILE A 105 -2.582 4.904 11.192 1.00 0.00 C ATOM 1679 O ILE A 105 -3.531 4.689 11.948 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.258 5.447 8.851 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -2.575 6.805 9.032 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -4.744 5.552 9.160 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -3.022 7.844 8.027 1.00 0.00 C ATOM 0 H ILE A 105 -4.296 3.170 9.677 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.570 4.231 9.420 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.144 5.137 7.812 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.777 7.173 10.038 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.496 6.674 8.951 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.198 6.302 8.513 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.221 4.587 8.987 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.879 5.842 10.202 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.498 8.781 8.215 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.795 7.497 7.019 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.096 8.004 8.122 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.501 5.584 11.562 1.00 0.00 N ATOM 1696 CA HIS A 106 -1.365 6.130 12.907 1.00 0.00 C ATOM 1697 C HIS A 106 -2.135 7.441 13.042 1.00 0.00 C ATOM 1698 O HIS A 106 -1.795 8.440 12.410 1.00 0.00 O ATOM 1699 CB HIS A 106 0.110 6.355 13.242 1.00 0.00 C ATOM 1700 CG HIS A 106 0.327 7.085 14.533 1.00 0.00 C ATOM 1701 ND1 HIS A 106 -0.089 6.595 15.752 1.00 0.00 N ATOM 1702 CD2 HIS A 106 0.921 8.273 14.788 1.00 0.00 C ATOM 1703 CE1 HIS A 106 0.238 7.452 16.703 1.00 0.00 C ATOM 1704 NE2 HIS A 106 0.853 8.479 16.144 1.00 0.00 N ATOM 0 H HIS A 106 -0.707 5.770 10.949 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.784 5.409 13.609 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.614 5.390 13.291 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.576 6.918 12.433 1.00 0.00 H new ATOM 0 HD2 HIS A 106 1.366 8.936 14.061 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.037 7.333 17.757 1.00 0.00 H new ATOM 0 HE2 HIS A 106 1.218 9.293 16.639 1.00 0.00 H new ATOM 1712 N GLY A 107 -3.175 7.429 13.871 1.00 0.00 N ATOM 1713 CA GLY A 107 -3.976 8.621 14.073 1.00 0.00 C ATOM 1714 C GLY A 107 -3.786 9.221 15.451 1.00 0.00 C ATOM 1715 O GLY A 107 -4.341 8.727 16.433 1.00 0.00 O ATOM 0 H GLY A 107 -3.476 6.615 14.406 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.715 9.363 13.318 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.028 8.376 13.929 1.00 0.00 H new ATOM 1719 N PHE A 108 -2.998 10.289 15.528 1.00 0.00 N ATOM 1720 CA PHE A 108 -2.733 10.955 16.797 1.00 0.00 C ATOM 1721 C PHE A 108 -2.041 10.010 17.774 1.00 0.00 C ATOM 1722 O PHE A 108 -0.828 10.082 17.967 1.00 0.00 O ATOM 1723 CB PHE A 108 -4.038 11.471 17.409 1.00 0.00 C ATOM 1724 CG PHE A 108 -3.863 12.715 18.233 1.00 0.00 C ATOM 1725 CD1 PHE A 108 -2.948 12.747 19.273 1.00 0.00 C ATOM 1726 CD2 PHE A 108 -4.613 13.848 17.968 1.00 0.00 C ATOM 1727 CE1 PHE A 108 -2.784 13.890 20.035 1.00 0.00 C ATOM 1728 CE2 PHE A 108 -4.453 14.993 18.725 1.00 0.00 C ATOM 1729 CZ PHE A 108 -3.538 15.014 19.760 1.00 0.00 C ATOM 0 H PHE A 108 -2.532 10.712 14.725 1.00 0.00 H new ATOM 0 HA PHE A 108 -2.071 11.799 16.603 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.751 11.672 16.609 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.471 10.689 18.033 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -2.356 11.870 19.491 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -5.331 13.837 17.161 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -2.068 13.903 20.843 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.043 15.871 18.508 1.00 0.00 H new ATOM 0 HZ PHE A 108 -3.413 15.908 20.353 1.00 0.00 H new