USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 0 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 39 HIS : no HD1:sc= -8.16! C(o=-9.8!,f=-20!) USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.661 K(o=-9.8,f=-15!) USER MOD Set 1.3: A 74 TYR OH : rot 130:sc= -0.939 USER MOD Set 2.1: A 20 SER OG : rot -170:sc= -0.953! USER MOD Set 2.2: A 33 THR OG1 : rot -92:sc= 0.859 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 15:sc= -1.54 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -2.3 F(o=-5.1!,f=-2.3) USER MOD Single : A 16 LYS NZ :NH3+ 144:sc= -0.242 (180deg=-1.15!) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0195 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 81:sc= 1.11 USER MOD Single : A 26 HIS : no HE2:sc= -2.52 X(o=-2.5,f=-2.8!) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.99 F(o=-2.4,f=-0.99) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -4.99! C(o=-5!,f=-7!) USER MOD Single : A 55 THR OG1 : rot -147:sc=-0.00348 USER MOD Single : A 57 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.00035) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 71 SER OG : rot -152:sc= -1.76! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -50:sc= 1.2 USER MOD Single : A 80 HIS : no HD1:sc= -4.65 K(o=-4.7,f=-10!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -65:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -1.396 -1.815 47.394 1.00 0.00 N ATOM 2 CA ASP A 1 -2.630 -2.551 47.003 1.00 0.00 C ATOM 3 C ASP A 1 -3.242 -1.900 45.762 1.00 0.00 C ATOM 4 O ASP A 1 -3.933 -0.902 45.852 1.00 0.00 O ATOM 5 CB ASP A 1 -3.638 -2.503 48.154 1.00 0.00 C ATOM 6 CG ASP A 1 -4.731 -3.548 47.920 1.00 0.00 C ATOM 7 OD1 ASP A 1 -5.098 -3.745 46.773 1.00 0.00 O ATOM 8 OD2 ASP A 1 -5.181 -4.132 48.891 1.00 0.00 O ATOM 0 H1 ASP A 1 -0.980 -2.258 48.238 1.00 0.00 H new ATOM 0 H2 ASP A 1 -0.710 -1.847 46.613 1.00 0.00 H new ATOM 0 H3 ASP A 1 -1.634 -0.825 47.605 1.00 0.00 H new ATOM 0 HA ASP A 1 -2.379 -3.588 46.782 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -3.134 -2.695 49.101 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -4.080 -1.509 48.223 1.00 0.00 H new ATOM 9 N LYS A 2 -2.990 -2.457 44.604 1.00 0.00 N ATOM 10 CA LYS A 2 -3.553 -1.877 43.349 1.00 0.00 C ATOM 11 C LYS A 2 -3.890 -3.004 42.371 1.00 0.00 C ATOM 12 O LYS A 2 -3.110 -3.332 41.498 1.00 0.00 O ATOM 13 CB LYS A 2 -2.524 -0.941 42.714 1.00 0.00 C ATOM 14 CG LYS A 2 -3.178 -0.155 41.576 1.00 0.00 C ATOM 15 CD LYS A 2 -2.954 -0.889 40.252 1.00 0.00 C ATOM 16 CE LYS A 2 -2.820 0.130 39.120 1.00 0.00 C ATOM 17 NZ LYS A 2 -1.847 -0.376 38.110 1.00 0.00 N ATOM 0 H LYS A 2 -2.417 -3.291 44.475 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.459 -1.317 43.582 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.130 -0.255 43.464 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.680 -1.516 42.334 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.246 -0.042 41.765 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.755 0.848 41.523 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.055 -1.502 40.312 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.787 -1.563 40.052 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.790 0.301 38.653 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.484 1.088 39.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.755 0.316 37.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.921 -0.517 38.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.186 -1.280 37.724 1.00 0.00 H new ATOM 18 N ASP A 3 -5.048 -3.597 42.513 1.00 0.00 N ATOM 19 CA ASP A 3 -5.447 -4.705 41.598 1.00 0.00 C ATOM 20 C ASP A 3 -6.898 -4.504 41.155 1.00 0.00 C ATOM 21 O ASP A 3 -7.571 -3.594 41.603 1.00 0.00 O ATOM 22 CB ASP A 3 -5.317 -6.043 42.328 1.00 0.00 C ATOM 23 CG ASP A 3 -6.109 -5.991 43.636 1.00 0.00 C ATOM 24 OD1 ASP A 3 -7.316 -6.161 43.582 1.00 0.00 O ATOM 25 OD2 ASP A 3 -5.495 -5.783 44.669 1.00 0.00 O ATOM 0 H ASP A 3 -5.736 -3.359 43.227 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.797 -4.705 40.723 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.689 -6.851 41.698 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.268 -6.256 42.534 1.00 0.00 H new ATOM 26 N VAL A 4 -7.383 -5.347 40.279 1.00 0.00 N ATOM 27 CA VAL A 4 -8.790 -5.213 39.803 1.00 0.00 C ATOM 28 C VAL A 4 -9.748 -5.423 40.985 1.00 0.00 C ATOM 29 O VAL A 4 -9.647 -6.387 41.719 1.00 0.00 O ATOM 30 CB VAL A 4 -9.058 -6.263 38.701 1.00 0.00 C ATOM 31 CG1 VAL A 4 -10.553 -6.343 38.363 1.00 0.00 C ATOM 32 CG2 VAL A 4 -8.300 -5.867 37.433 1.00 0.00 C ATOM 0 H VAL A 4 -6.862 -6.124 39.873 1.00 0.00 H new ATOM 0 HA VAL A 4 -8.951 -4.217 39.390 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.724 -7.233 39.069 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.711 -7.090 37.585 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.113 -6.624 39.255 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.898 -5.372 38.009 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.486 -6.605 36.653 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.641 -4.888 37.096 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.232 -5.825 37.646 1.00 0.00 H new ATOM 33 N LYS A 5 -10.688 -4.530 41.144 1.00 0.00 N ATOM 34 CA LYS A 5 -11.682 -4.663 42.243 1.00 0.00 C ATOM 35 C LYS A 5 -13.047 -4.939 41.613 1.00 0.00 C ATOM 36 O LYS A 5 -13.576 -4.119 40.885 1.00 0.00 O ATOM 37 CB LYS A 5 -11.735 -3.363 43.052 1.00 0.00 C ATOM 38 CG LYS A 5 -10.896 -3.513 44.321 1.00 0.00 C ATOM 39 CD LYS A 5 -11.345 -2.480 45.356 1.00 0.00 C ATOM 40 CE LYS A 5 -12.608 -2.980 46.062 1.00 0.00 C ATOM 41 NZ LYS A 5 -12.223 -3.779 47.260 1.00 0.00 N ATOM 0 H LYS A 5 -10.809 -3.708 40.553 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.403 -5.477 42.912 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.360 -2.534 42.452 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.767 -3.127 43.312 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.006 -4.519 44.725 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.840 -3.376 44.089 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.552 -2.310 46.084 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.541 -1.524 44.870 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.230 -2.136 46.359 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.202 -3.589 45.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.080 -4.119 47.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.646 -4.592 46.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.674 -3.184 47.912 1.00 0.00 H new ATOM 42 N TYR A 6 -13.612 -6.093 41.864 1.00 0.00 N ATOM 43 CA TYR A 6 -14.932 -6.427 41.254 1.00 0.00 C ATOM 44 C TYR A 6 -16.052 -5.738 42.029 1.00 0.00 C ATOM 45 O TYR A 6 -15.978 -5.567 43.231 1.00 0.00 O ATOM 46 CB TYR A 6 -15.145 -7.941 41.281 1.00 0.00 C ATOM 47 CG TYR A 6 -13.957 -8.628 40.646 1.00 0.00 C ATOM 48 CD1 TYR A 6 -13.885 -8.757 39.252 1.00 0.00 C ATOM 49 CD2 TYR A 6 -12.924 -9.131 41.448 1.00 0.00 C ATOM 50 CE1 TYR A 6 -12.783 -9.389 38.663 1.00 0.00 C ATOM 51 CE2 TYR A 6 -11.823 -9.762 40.859 1.00 0.00 C ATOM 52 CZ TYR A 6 -11.753 -9.892 39.467 1.00 0.00 C ATOM 53 OH TYR A 6 -10.666 -10.513 38.885 1.00 0.00 O ATOM 0 H TYR A 6 -13.216 -6.816 42.464 1.00 0.00 H new ATOM 0 HA TYR A 6 -14.945 -6.079 40.221 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -15.270 -8.283 42.308 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -16.058 -8.200 40.745 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -14.680 -8.369 38.632 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -12.978 -9.031 42.522 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -12.728 -9.488 37.589 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -11.027 -10.149 41.478 1.00 0.00 H new ATOM 0 HH TYR A 6 -10.042 -10.803 39.583 1.00 0.00 H new ATOM 54 N TYR A 7 -17.086 -5.339 41.338 1.00 0.00 N ATOM 55 CA TYR A 7 -18.227 -4.649 42.013 1.00 0.00 C ATOM 56 C TYR A 7 -19.527 -5.377 41.662 1.00 0.00 C ATOM 57 O TYR A 7 -19.759 -5.730 40.521 1.00 0.00 O ATOM 58 CB TYR A 7 -18.323 -3.187 41.540 1.00 0.00 C ATOM 59 CG TYR A 7 -16.941 -2.575 41.430 1.00 0.00 C ATOM 60 CD1 TYR A 7 -16.293 -2.083 42.570 1.00 0.00 C ATOM 61 CD2 TYR A 7 -16.306 -2.505 40.183 1.00 0.00 C ATOM 62 CE1 TYR A 7 -15.015 -1.521 42.461 1.00 0.00 C ATOM 63 CE2 TYR A 7 -15.029 -1.944 40.075 1.00 0.00 C ATOM 64 CZ TYR A 7 -14.383 -1.453 41.214 1.00 0.00 C ATOM 65 OH TYR A 7 -13.122 -0.899 41.107 1.00 0.00 O ATOM 0 H TYR A 7 -17.191 -5.461 40.331 1.00 0.00 H new ATOM 0 HA TYR A 7 -18.065 -4.662 43.091 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -18.825 -3.143 40.573 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -18.928 -2.611 42.240 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -16.779 -2.137 43.533 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -16.804 -2.885 39.303 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -14.517 -1.140 43.340 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -14.542 -1.890 39.112 1.00 0.00 H new ATOM 0 HH TYR A 7 -12.721 -0.825 41.998 1.00 0.00 H new ATOM 66 N THR A 8 -20.375 -5.604 42.634 1.00 0.00 N ATOM 67 CA THR A 8 -21.663 -6.310 42.362 1.00 0.00 C ATOM 68 C THR A 8 -22.500 -5.493 41.375 1.00 0.00 C ATOM 69 O THR A 8 -22.418 -4.279 41.334 1.00 0.00 O ATOM 70 CB THR A 8 -22.439 -6.478 43.671 1.00 0.00 C ATOM 71 OG1 THR A 8 -22.357 -5.275 44.426 1.00 0.00 O ATOM 72 CG2 THR A 8 -21.839 -7.630 44.479 1.00 0.00 C ATOM 0 H THR A 8 -20.230 -5.330 43.606 1.00 0.00 H new ATOM 0 HA THR A 8 -21.454 -7.290 41.933 1.00 0.00 H new ATOM 0 HB THR A 8 -23.483 -6.699 43.449 1.00 0.00 H new ATOM 0 HG1 THR A 8 -22.855 -5.380 45.264 1.00 0.00 H new ATOM 0 HG21 THR A 8 -22.393 -7.748 45.410 1.00 0.00 H new ATOM 0 HG22 THR A 8 -21.902 -8.552 43.900 1.00 0.00 H new ATOM 0 HG23 THR A 8 -20.795 -7.412 44.703 1.00 0.00 H new ATOM 73 N LEU A 9 -23.299 -6.153 40.575 1.00 0.00 N ATOM 74 CA LEU A 9 -24.144 -5.425 39.580 1.00 0.00 C ATOM 75 C LEU A 9 -25.160 -4.550 40.316 1.00 0.00 C ATOM 76 O LEU A 9 -25.551 -3.505 39.835 1.00 0.00 O ATOM 77 CB LEU A 9 -24.900 -6.424 38.692 1.00 0.00 C ATOM 78 CG LEU A 9 -23.966 -7.566 38.249 1.00 0.00 C ATOM 79 CD1 LEU A 9 -24.332 -8.847 39.002 1.00 0.00 C ATOM 80 CD2 LEU A 9 -24.118 -7.804 36.743 1.00 0.00 C ATOM 0 H LEU A 9 -23.403 -7.168 40.568 1.00 0.00 H new ATOM 0 HA LEU A 9 -23.497 -4.806 38.958 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -25.751 -6.833 39.237 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -25.299 -5.912 37.816 1.00 0.00 H new ATOM 0 HG LEU A 9 -22.935 -7.292 38.471 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -23.671 -9.655 38.688 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -24.221 -8.683 40.074 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -25.365 -9.117 38.781 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -23.456 -8.613 36.434 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -25.150 -8.075 36.520 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -23.857 -6.894 36.203 1.00 0.00 H new ATOM 81 N GLU A 10 -25.594 -4.976 41.475 1.00 0.00 N ATOM 82 CA GLU A 10 -26.594 -4.181 42.249 1.00 0.00 C ATOM 83 C GLU A 10 -26.029 -2.794 42.575 1.00 0.00 C ATOM 84 O GLU A 10 -26.768 -1.845 42.754 1.00 0.00 O ATOM 85 CB GLU A 10 -26.925 -4.912 43.550 1.00 0.00 C ATOM 86 CG GLU A 10 -27.958 -6.006 43.274 1.00 0.00 C ATOM 87 CD GLU A 10 -28.214 -6.803 44.556 1.00 0.00 C ATOM 88 OE1 GLU A 10 -27.367 -7.606 44.908 1.00 0.00 O ATOM 89 OE2 GLU A 10 -29.252 -6.595 45.161 1.00 0.00 O ATOM 0 H GLU A 10 -25.297 -5.844 41.920 1.00 0.00 H new ATOM 0 HA GLU A 10 -27.497 -4.065 41.649 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.021 -5.350 43.973 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -27.313 -4.208 44.286 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -28.887 -5.562 42.918 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.599 -6.669 42.487 1.00 0.00 H new ATOM 90 N GLU A 11 -24.728 -2.673 42.659 1.00 0.00 N ATOM 91 CA GLU A 11 -24.115 -1.350 42.983 1.00 0.00 C ATOM 92 C GLU A 11 -23.829 -0.570 41.695 1.00 0.00 C ATOM 93 O GLU A 11 -23.774 0.645 41.699 1.00 0.00 O ATOM 94 CB GLU A 11 -22.805 -1.570 43.742 1.00 0.00 C ATOM 95 CG GLU A 11 -22.517 -0.356 44.627 1.00 0.00 C ATOM 96 CD GLU A 11 -23.211 -0.532 45.978 1.00 0.00 C ATOM 97 OE1 GLU A 11 -22.976 -1.547 46.615 1.00 0.00 O ATOM 98 OE2 GLU A 11 -23.965 0.350 46.354 1.00 0.00 O ATOM 0 H GLU A 11 -24.064 -3.434 42.517 1.00 0.00 H new ATOM 0 HA GLU A 11 -24.809 -0.778 43.599 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -22.873 -2.470 44.353 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.986 -1.723 43.039 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -21.442 -0.244 44.770 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -22.870 0.553 44.141 1.00 0.00 H new ATOM 99 N ILE A 12 -23.638 -1.257 40.596 1.00 0.00 N ATOM 100 CA ILE A 12 -23.344 -0.556 39.309 1.00 0.00 C ATOM 101 C ILE A 12 -24.610 0.127 38.783 1.00 0.00 C ATOM 102 O ILE A 12 -24.641 1.328 38.593 1.00 0.00 O ATOM 103 CB ILE A 12 -22.842 -1.571 38.277 1.00 0.00 C ATOM 104 CG1 ILE A 12 -21.657 -2.350 38.859 1.00 0.00 C ATOM 105 CG2 ILE A 12 -22.393 -0.836 37.013 1.00 0.00 C ATOM 106 CD1 ILE A 12 -21.470 -3.660 38.088 1.00 0.00 C ATOM 0 H ILE A 12 -23.673 -2.275 40.535 1.00 0.00 H new ATOM 0 HA ILE A 12 -22.577 0.200 39.481 1.00 0.00 H new ATOM 0 HB ILE A 12 -23.647 -2.263 38.030 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -20.750 -1.749 38.799 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -21.831 -2.560 39.914 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -22.036 -1.559 36.279 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -23.234 -0.281 36.597 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -21.589 -0.143 37.261 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -20.627 -4.210 38.505 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -22.374 -4.263 38.171 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -21.276 -3.440 37.038 1.00 0.00 H new ATOM 107 N GLN A 13 -25.648 -0.631 38.534 1.00 0.00 N ATOM 108 CA GLN A 13 -26.913 -0.036 38.008 1.00 0.00 C ATOM 109 C GLN A 13 -27.486 0.968 39.017 1.00 0.00 C ATOM 110 O GLN A 13 -28.197 1.884 38.652 1.00 0.00 O ATOM 111 CB GLN A 13 -27.938 -1.148 37.747 1.00 0.00 C ATOM 112 CG GLN A 13 -28.224 -1.914 39.042 1.00 0.00 C ATOM 113 CD GLN A 13 -28.934 -3.227 38.710 1.00 0.00 C ATOM 114 OE1 GLN A 13 -28.441 -4.353 39.150 1.00 0.00 O flip ATOM 115 NE2 GLN A 13 -29.951 -3.230 38.043 1.00 0.00 N flip ATOM 0 H GLN A 13 -25.673 -1.641 38.673 1.00 0.00 H new ATOM 0 HA GLN A 13 -26.697 0.485 37.075 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -28.861 -0.718 37.358 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -27.559 -1.831 36.987 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -27.293 -2.115 39.572 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -28.844 -1.310 39.705 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -30.338 -2.351 37.698 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -30.417 -4.111 37.828 1.00 0.00 H new ATOM 116 N LYS A 14 -27.184 0.801 40.282 1.00 0.00 N ATOM 117 CA LYS A 14 -27.714 1.742 41.316 1.00 0.00 C ATOM 118 C LYS A 14 -27.226 3.163 41.024 1.00 0.00 C ATOM 119 O LYS A 14 -27.916 4.131 41.281 1.00 0.00 O ATOM 120 CB LYS A 14 -27.224 1.310 42.700 1.00 0.00 C ATOM 121 CG LYS A 14 -27.890 2.174 43.773 1.00 0.00 C ATOM 122 CD LYS A 14 -27.999 1.379 45.075 1.00 0.00 C ATOM 123 CE LYS A 14 -29.342 0.647 45.117 1.00 0.00 C ATOM 124 NZ LYS A 14 -29.212 -0.579 45.954 1.00 0.00 N ATOM 0 H LYS A 14 -26.592 0.052 40.643 1.00 0.00 H new ATOM 0 HA LYS A 14 -28.804 1.724 41.292 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -27.458 0.259 42.868 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -26.140 1.409 42.760 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -27.309 3.081 43.936 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -28.880 2.485 43.441 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -27.180 0.663 45.145 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -27.911 2.049 45.931 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -30.112 1.300 45.527 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -29.655 0.380 44.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -30.124 -1.078 45.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -28.489 -1.204 45.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -28.932 -0.312 46.919 1.00 0.00 H new ATOM 125 N HIS A 15 -26.039 3.292 40.488 1.00 0.00 N ATOM 126 CA HIS A 15 -25.496 4.645 40.175 1.00 0.00 C ATOM 127 C HIS A 15 -26.102 5.146 38.863 1.00 0.00 C ATOM 128 O HIS A 15 -25.742 4.695 37.791 1.00 0.00 O ATOM 129 CB HIS A 15 -23.975 4.564 40.031 1.00 0.00 C ATOM 130 CG HIS A 15 -23.362 4.170 41.347 1.00 0.00 C ATOM 131 ND1 HIS A 15 -23.779 3.313 42.337 1.00 0.00 N flip ATOM 132 CD2 HIS A 15 -22.149 4.683 41.777 1.00 0.00 C flip ATOM 133 CE1 HIS A 15 -22.840 3.294 43.365 1.00 0.00 C flip ATOM 134 NE2 HIS A 15 -21.879 4.135 42.977 1.00 0.00 N flip ATOM 0 H HIS A 15 -25.422 2.515 40.253 1.00 0.00 H new ATOM 0 HA HIS A 15 -25.750 5.333 40.981 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -23.711 3.837 39.263 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -23.579 5.527 39.708 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -21.532 5.393 41.246 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -22.881 2.722 44.280 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -21.042 4.338 43.523 1.00 0.00 H new ATOM 135 N LYS A 16 -27.021 6.077 38.940 1.00 0.00 N ATOM 136 CA LYS A 16 -27.655 6.614 37.700 1.00 0.00 C ATOM 137 C LYS A 16 -28.628 7.736 38.070 1.00 0.00 C ATOM 138 O LYS A 16 -29.806 7.506 38.271 1.00 0.00 O ATOM 139 CB LYS A 16 -28.419 5.493 36.991 1.00 0.00 C ATOM 140 CG LYS A 16 -28.582 5.845 35.511 1.00 0.00 C ATOM 141 CD LYS A 16 -29.885 6.623 35.313 1.00 0.00 C ATOM 142 CE LYS A 16 -30.189 6.736 33.817 1.00 0.00 C ATOM 143 NZ LYS A 16 -30.267 5.371 33.222 1.00 0.00 N ATOM 0 H LYS A 16 -27.359 6.488 39.810 1.00 0.00 H new ATOM 0 HA LYS A 16 -26.883 7.004 37.037 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -27.882 4.550 37.095 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -29.397 5.356 37.453 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -27.735 6.441 35.172 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -28.593 4.936 34.909 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -30.704 6.118 35.824 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -29.799 7.616 35.754 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -31.130 7.265 33.665 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -29.412 7.317 33.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -31.002 5.354 32.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -29.349 5.123 32.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -30.504 4.682 33.964 1.00 0.00 H new ATOM 144 N ASP A 17 -28.142 8.948 38.159 1.00 0.00 N ATOM 145 CA ASP A 17 -29.031 10.093 38.514 1.00 0.00 C ATOM 146 C ASP A 17 -28.468 11.383 37.910 1.00 0.00 C ATOM 147 O ASP A 17 -28.957 11.873 36.910 1.00 0.00 O ATOM 148 CB ASP A 17 -29.109 10.227 40.037 1.00 0.00 C ATOM 149 CG ASP A 17 -30.062 9.166 40.595 1.00 0.00 C ATOM 150 OD1 ASP A 17 -31.199 9.131 40.154 1.00 0.00 O ATOM 151 OD2 ASP A 17 -29.638 8.410 41.452 1.00 0.00 O ATOM 0 H ASP A 17 -27.165 9.193 38.000 1.00 0.00 H new ATOM 0 HA ASP A 17 -30.030 9.915 38.117 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -28.118 10.107 40.474 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -29.458 11.223 40.308 1.00 0.00 H new ATOM 152 N SER A 18 -27.441 11.935 38.511 1.00 0.00 N ATOM 153 CA SER A 18 -26.840 13.194 37.978 1.00 0.00 C ATOM 154 C SER A 18 -25.649 13.600 38.853 1.00 0.00 C ATOM 155 O SER A 18 -25.445 14.766 39.134 1.00 0.00 O ATOM 156 CB SER A 18 -27.888 14.310 37.993 1.00 0.00 C ATOM 157 OG SER A 18 -28.746 14.133 39.112 1.00 0.00 O ATOM 0 H SER A 18 -26.994 11.565 39.350 1.00 0.00 H new ATOM 0 HA SER A 18 -26.502 13.029 36.955 1.00 0.00 H new ATOM 0 HB2 SER A 18 -27.399 15.283 38.045 1.00 0.00 H new ATOM 0 HB3 SER A 18 -28.467 14.293 37.070 1.00 0.00 H new ATOM 0 HG SER A 18 -29.417 14.847 39.126 1.00 0.00 H new ATOM 158 N LYS A 19 -24.865 12.644 39.282 1.00 0.00 N ATOM 159 CA LYS A 19 -23.687 12.968 40.141 1.00 0.00 C ATOM 160 C LYS A 19 -22.493 12.107 39.722 1.00 0.00 C ATOM 161 O LYS A 19 -21.397 12.604 39.536 1.00 0.00 O ATOM 162 CB LYS A 19 -24.030 12.681 41.604 1.00 0.00 C ATOM 163 CG LYS A 19 -22.889 13.169 42.501 1.00 0.00 C ATOM 164 CD LYS A 19 -22.748 12.234 43.704 1.00 0.00 C ATOM 165 CE LYS A 19 -21.884 11.033 43.319 1.00 0.00 C ATOM 166 NZ LYS A 19 -21.578 10.230 44.537 1.00 0.00 N ATOM 0 H LYS A 19 -24.990 11.653 39.074 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.433 14.022 40.024 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -24.960 13.181 41.876 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -24.189 11.612 41.749 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -21.956 13.197 41.938 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -23.088 14.186 42.839 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.296 12.767 44.541 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -23.731 11.897 44.033 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -22.405 10.417 42.586 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.959 11.372 42.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.990 9.413 44.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.065 10.820 45.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -22.465 9.896 44.964 1.00 0.00 H new ATOM 167 N SER A 20 -22.695 10.822 39.575 1.00 0.00 N ATOM 168 CA SER A 20 -21.574 9.924 39.173 1.00 0.00 C ATOM 169 C SER A 20 -22.125 8.546 38.804 1.00 0.00 C ATOM 170 O SER A 20 -22.983 8.014 39.483 1.00 0.00 O ATOM 171 CB SER A 20 -20.596 9.779 40.341 1.00 0.00 C ATOM 172 OG SER A 20 -19.499 8.971 39.938 1.00 0.00 O ATOM 0 H SER A 20 -23.591 10.356 39.717 1.00 0.00 H new ATOM 0 HA SER A 20 -21.060 10.352 38.312 1.00 0.00 H new ATOM 0 HB2 SER A 20 -20.243 10.760 40.658 1.00 0.00 H new ATOM 0 HB3 SER A 20 -21.099 9.329 41.197 1.00 0.00 H new ATOM 0 HG SER A 20 -18.954 8.745 40.721 1.00 0.00 H new ATOM 173 N THR A 21 -21.634 7.962 37.737 1.00 0.00 N ATOM 174 CA THR A 21 -22.126 6.615 37.330 1.00 0.00 C ATOM 175 C THR A 21 -21.015 5.854 36.593 1.00 0.00 C ATOM 176 O THR A 21 -19.987 6.411 36.226 1.00 0.00 O ATOM 177 CB THR A 21 -23.368 6.764 36.432 1.00 0.00 C ATOM 178 OG1 THR A 21 -23.967 5.487 36.235 1.00 0.00 O ATOM 179 CG2 THR A 21 -22.981 7.369 35.076 1.00 0.00 C ATOM 0 H THR A 21 -20.915 8.362 37.134 1.00 0.00 H new ATOM 0 HA THR A 21 -22.404 6.048 38.218 1.00 0.00 H new ATOM 0 HB THR A 21 -24.078 7.431 36.921 1.00 0.00 H new ATOM 0 HG1 THR A 21 -24.520 5.261 37.012 1.00 0.00 H new ATOM 0 HG21 THR A 21 -23.871 7.467 34.454 1.00 0.00 H new ATOM 0 HG22 THR A 21 -22.536 8.352 35.230 1.00 0.00 H new ATOM 0 HG23 THR A 21 -22.261 6.718 34.579 1.00 0.00 H new ATOM 180 N TRP A 22 -21.220 4.583 36.370 1.00 0.00 N ATOM 181 CA TRP A 22 -20.191 3.772 35.659 1.00 0.00 C ATOM 182 C TRP A 22 -20.832 3.112 34.432 1.00 0.00 C ATOM 183 O TRP A 22 -22.040 3.050 34.311 1.00 0.00 O ATOM 184 CB TRP A 22 -19.615 2.667 36.573 1.00 0.00 C ATOM 185 CG TRP A 22 -19.502 3.123 38.004 1.00 0.00 C ATOM 186 CD1 TRP A 22 -19.168 4.370 38.413 1.00 0.00 C ATOM 187 CD2 TRP A 22 -19.707 2.342 39.221 1.00 0.00 C ATOM 188 NE1 TRP A 22 -19.159 4.404 39.794 1.00 0.00 N ATOM 189 CE2 TRP A 22 -19.485 3.181 40.338 1.00 0.00 C ATOM 190 CE3 TRP A 22 -20.062 1.003 39.460 1.00 0.00 C ATOM 191 CZ2 TRP A 22 -19.610 2.709 41.644 1.00 0.00 C ATOM 192 CZ3 TRP A 22 -20.189 0.524 40.775 1.00 0.00 C ATOM 193 CH2 TRP A 22 -19.963 1.376 41.864 1.00 0.00 C ATOM 0 H TRP A 22 -22.057 4.072 36.650 1.00 0.00 H new ATOM 0 HA TRP A 22 -19.379 4.436 35.363 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -20.253 1.785 36.523 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -18.632 2.370 36.208 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -18.945 5.204 37.764 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -18.938 5.234 40.344 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -20.238 0.338 38.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -19.435 3.370 42.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -20.462 -0.507 40.947 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -20.062 1.002 42.872 1.00 0.00 H new ATOM 194 N VAL A 23 -20.026 2.615 33.524 1.00 0.00 N ATOM 195 CA VAL A 23 -20.576 1.953 32.302 1.00 0.00 C ATOM 196 C VAL A 23 -19.872 0.610 32.091 1.00 0.00 C ATOM 197 O VAL A 23 -18.658 0.535 32.064 1.00 0.00 O ATOM 198 CB VAL A 23 -20.339 2.848 31.078 1.00 0.00 C ATOM 199 CG1 VAL A 23 -20.969 2.208 29.836 1.00 0.00 C ATOM 200 CG2 VAL A 23 -20.976 4.216 31.315 1.00 0.00 C ATOM 0 H VAL A 23 -19.008 2.640 33.578 1.00 0.00 H new ATOM 0 HA VAL A 23 -21.646 1.791 32.430 1.00 0.00 H new ATOM 0 HB VAL A 23 -19.266 2.963 30.923 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -20.798 2.848 28.970 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -20.517 1.232 29.661 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -22.041 2.089 29.992 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -20.807 4.851 30.446 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -22.048 4.096 31.474 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -20.528 4.678 32.195 1.00 0.00 H new ATOM 201 N ILE A 24 -20.628 -0.449 31.938 1.00 0.00 N ATOM 202 CA ILE A 24 -20.010 -1.789 31.725 1.00 0.00 C ATOM 203 C ILE A 24 -19.722 -1.983 30.235 1.00 0.00 C ATOM 204 O ILE A 24 -20.557 -1.714 29.392 1.00 0.00 O ATOM 205 CB ILE A 24 -20.971 -2.888 32.202 1.00 0.00 C ATOM 206 CG1 ILE A 24 -21.506 -2.553 33.606 1.00 0.00 C ATOM 207 CG2 ILE A 24 -20.233 -4.228 32.241 1.00 0.00 C ATOM 208 CD1 ILE A 24 -20.347 -2.406 34.598 1.00 0.00 C ATOM 0 H ILE A 24 -21.648 -0.441 31.952 1.00 0.00 H new ATOM 0 HA ILE A 24 -19.081 -1.850 32.292 1.00 0.00 H new ATOM 0 HB ILE A 24 -21.811 -2.952 31.510 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -22.083 -1.629 33.571 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -22.183 -3.339 33.941 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -20.914 -5.009 32.579 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -19.869 -4.472 31.243 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -19.390 -4.159 32.928 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -20.742 -2.169 35.586 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -19.788 -3.340 34.645 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -19.686 -1.604 34.269 1.00 0.00 H new ATOM 209 N LEU A 25 -18.543 -2.450 29.910 1.00 0.00 N ATOM 210 CA LEU A 25 -18.187 -2.668 28.477 1.00 0.00 C ATOM 211 C LEU A 25 -18.027 -4.172 28.225 1.00 0.00 C ATOM 212 O LEU A 25 -18.909 -4.819 27.692 1.00 0.00 O ATOM 213 CB LEU A 25 -16.870 -1.937 28.165 1.00 0.00 C ATOM 214 CG LEU A 25 -17.130 -0.699 27.297 1.00 0.00 C ATOM 215 CD1 LEU A 25 -17.759 -1.119 25.967 1.00 0.00 C ATOM 216 CD2 LEU A 25 -18.075 0.261 28.028 1.00 0.00 C ATOM 0 H LEU A 25 -17.810 -2.690 30.578 1.00 0.00 H new ATOM 0 HA LEU A 25 -18.973 -2.276 27.831 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -16.384 -1.640 29.094 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -16.187 -2.612 27.649 1.00 0.00 H new ATOM 0 HG LEU A 25 -16.182 -0.196 27.105 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.941 -0.235 25.355 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -17.082 -1.791 25.440 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -18.703 -1.630 26.156 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.255 1.138 27.406 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -19.021 -0.242 28.229 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -17.622 0.571 28.970 1.00 0.00 H new ATOM 217 N HIS A 26 -16.910 -4.728 28.616 1.00 0.00 N ATOM 218 CA HIS A 26 -16.679 -6.190 28.420 1.00 0.00 C ATOM 219 C HIS A 26 -16.024 -6.754 29.681 1.00 0.00 C ATOM 220 O HIS A 26 -14.816 -6.816 29.791 1.00 0.00 O ATOM 221 CB HIS A 26 -15.763 -6.424 27.209 1.00 0.00 C ATOM 222 CG HIS A 26 -14.558 -5.521 27.282 1.00 0.00 C ATOM 223 ND1 HIS A 26 -13.361 -5.924 27.850 1.00 0.00 N ATOM 224 CD2 HIS A 26 -14.353 -4.232 26.855 1.00 0.00 C ATOM 225 CE1 HIS A 26 -12.498 -4.897 27.753 1.00 0.00 C ATOM 226 NE2 HIS A 26 -13.052 -3.840 27.155 1.00 0.00 N ATOM 0 H HIS A 26 -16.143 -4.228 29.066 1.00 0.00 H new ATOM 0 HA HIS A 26 -17.630 -6.691 28.237 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -15.444 -7.466 27.182 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -16.312 -6.235 26.287 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -13.169 -6.835 28.267 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.090 -3.616 26.361 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.481 -4.924 28.115 1.00 0.00 H new ATOM 227 N HIS A 27 -16.821 -7.151 30.645 1.00 0.00 N ATOM 228 CA HIS A 27 -16.260 -7.697 31.920 1.00 0.00 C ATOM 229 C HIS A 27 -15.426 -6.612 32.605 1.00 0.00 C ATOM 230 O HIS A 27 -14.466 -6.896 33.295 1.00 0.00 O ATOM 231 CB HIS A 27 -15.379 -8.914 31.626 1.00 0.00 C ATOM 232 CG HIS A 27 -14.990 -9.574 32.922 1.00 0.00 C ATOM 233 ND1 HIS A 27 -15.656 -9.717 34.114 1.00 0.00 N flip ATOM 234 CD2 HIS A 27 -13.762 -10.192 33.096 1.00 0.00 C flip ATOM 235 CE1 HIS A 27 -14.857 -10.412 35.016 1.00 0.00 C flip ATOM 236 NE2 HIS A 27 -13.727 -10.674 34.352 1.00 0.00 N flip ATOM 0 H HIS A 27 -17.840 -7.120 30.602 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.077 -8.003 32.574 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.915 -9.620 30.992 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.487 -8.608 31.079 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.977 -10.272 32.359 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.098 -10.682 36.034 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.934 -11.178 34.749 1.00 0.00 H new ATOM 237 N LYS A 28 -15.790 -5.367 32.413 1.00 0.00 N ATOM 238 CA LYS A 28 -15.028 -4.250 33.044 1.00 0.00 C ATOM 239 C LYS A 28 -16.007 -3.180 33.537 1.00 0.00 C ATOM 240 O LYS A 28 -17.085 -3.017 32.995 1.00 0.00 O ATOM 241 CB LYS A 28 -14.079 -3.634 32.014 1.00 0.00 C ATOM 242 CG LYS A 28 -12.762 -4.412 32.004 1.00 0.00 C ATOM 243 CD LYS A 28 -11.747 -3.688 31.117 1.00 0.00 C ATOM 244 CE LYS A 28 -10.447 -4.491 31.066 1.00 0.00 C ATOM 245 NZ LYS A 28 -9.519 -4.002 32.125 1.00 0.00 N ATOM 0 H LYS A 28 -16.586 -5.078 31.844 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.452 -4.633 33.886 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.535 -3.657 31.024 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.894 -2.587 32.255 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.374 -4.504 33.018 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.928 -5.424 31.634 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.150 -3.565 30.112 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.554 -2.689 31.508 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.656 -5.551 31.212 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.982 -4.389 30.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.635 -4.548 32.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.311 -2.995 31.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.963 -4.121 33.058 1.00 0.00 H new ATOM 246 N VAL A 29 -15.633 -2.449 34.557 1.00 0.00 N ATOM 247 CA VAL A 29 -16.526 -1.379 35.092 1.00 0.00 C ATOM 248 C VAL A 29 -15.851 -0.033 34.858 1.00 0.00 C ATOM 249 O VAL A 29 -14.704 0.155 35.208 1.00 0.00 O ATOM 250 CB VAL A 29 -16.750 -1.599 36.593 1.00 0.00 C ATOM 251 CG1 VAL A 29 -17.857 -0.668 37.090 1.00 0.00 C ATOM 252 CG2 VAL A 29 -17.163 -3.055 36.843 1.00 0.00 C ATOM 0 H VAL A 29 -14.742 -2.549 35.044 1.00 0.00 H new ATOM 0 HA VAL A 29 -17.492 -1.404 34.588 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.825 -1.384 37.129 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.014 -0.827 38.157 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.566 0.368 36.916 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.781 -0.881 36.552 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -17.322 -3.210 37.910 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.086 -3.269 36.304 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.375 -3.722 36.493 1.00 0.00 H new ATOM 253 N TYR A 30 -16.538 0.895 34.239 1.00 0.00 N ATOM 254 CA TYR A 30 -15.906 2.214 33.950 1.00 0.00 C ATOM 255 C TYR A 30 -16.439 3.311 34.860 1.00 0.00 C ATOM 256 O TYR A 30 -17.441 3.923 34.562 1.00 0.00 O ATOM 257 CB TYR A 30 -16.197 2.616 32.510 1.00 0.00 C ATOM 258 CG TYR A 30 -15.389 1.764 31.584 1.00 0.00 C ATOM 259 CD1 TYR A 30 -15.652 0.398 31.495 1.00 0.00 C ATOM 260 CD2 TYR A 30 -14.374 2.341 30.820 1.00 0.00 C ATOM 261 CE1 TYR A 30 -14.895 -0.402 30.635 1.00 0.00 C ATOM 262 CE2 TYR A 30 -13.616 1.545 29.958 1.00 0.00 C ATOM 263 CZ TYR A 30 -13.874 0.171 29.864 1.00 0.00 C ATOM 264 OH TYR A 30 -13.125 -0.618 29.014 1.00 0.00 O ATOM 0 H TYR A 30 -17.503 0.795 33.924 1.00 0.00 H new ATOM 0 HA TYR A 30 -14.835 2.103 34.120 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -17.259 2.499 32.296 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -15.955 3.668 32.358 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -16.439 -0.041 32.090 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -14.175 3.400 30.895 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -15.096 -1.461 30.564 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.831 1.989 29.364 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.671 -1.367 28.697 1.00 0.00 H new ATOM 265 N ASP A 31 -15.748 3.611 35.925 1.00 0.00 N ATOM 266 CA ASP A 31 -16.197 4.728 36.797 1.00 0.00 C ATOM 267 C ASP A 31 -15.744 6.005 36.108 1.00 0.00 C ATOM 268 O ASP A 31 -14.608 6.420 36.251 1.00 0.00 O ATOM 269 CB ASP A 31 -15.552 4.621 38.180 1.00 0.00 C ATOM 270 CG ASP A 31 -16.081 5.743 39.077 1.00 0.00 C ATOM 271 OD1 ASP A 31 -15.847 6.895 38.749 1.00 0.00 O ATOM 272 OD2 ASP A 31 -16.708 5.431 40.075 1.00 0.00 O ATOM 0 H ASP A 31 -14.898 3.134 36.226 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.277 4.708 36.941 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.775 3.651 38.623 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.468 4.690 38.094 1.00 0.00 H new ATOM 273 N LEU A 32 -16.601 6.606 35.319 1.00 0.00 N ATOM 274 CA LEU A 32 -16.179 7.832 34.576 1.00 0.00 C ATOM 275 C LEU A 32 -16.939 9.052 35.104 1.00 0.00 C ATOM 276 O LEU A 32 -17.679 9.698 34.385 1.00 0.00 O ATOM 277 CB LEU A 32 -16.432 7.667 33.058 1.00 0.00 C ATOM 278 CG LEU A 32 -16.297 6.193 32.611 1.00 0.00 C ATOM 279 CD1 LEU A 32 -17.686 5.598 32.380 1.00 0.00 C ATOM 280 CD2 LEU A 32 -15.509 6.116 31.301 1.00 0.00 C ATOM 0 H LEU A 32 -17.562 6.305 35.159 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.111 7.980 34.733 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.430 8.031 32.814 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.724 8.282 32.502 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.775 5.636 33.389 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.589 4.559 32.065 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -18.260 5.645 33.305 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -18.201 6.166 31.605 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.418 5.075 30.992 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.032 6.679 30.528 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.515 6.539 31.449 1.00 0.00 H new ATOM 281 N THR A 33 -16.746 9.375 36.358 1.00 0.00 N ATOM 282 CA THR A 33 -17.436 10.556 36.949 1.00 0.00 C ATOM 283 C THR A 33 -16.941 11.826 36.255 1.00 0.00 C ATOM 284 O THR A 33 -17.716 12.694 35.901 1.00 0.00 O ATOM 285 CB THR A 33 -17.118 10.638 38.444 1.00 0.00 C ATOM 286 OG1 THR A 33 -16.918 9.327 38.958 1.00 0.00 O ATOM 287 CG2 THR A 33 -18.277 11.308 39.181 1.00 0.00 C ATOM 0 H THR A 33 -16.136 8.867 36.999 1.00 0.00 H new ATOM 0 HA THR A 33 -18.513 10.457 36.812 1.00 0.00 H new ATOM 0 HB THR A 33 -16.212 11.227 38.590 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.768 8.974 39.295 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.047 11.365 40.245 1.00 0.00 H new ATOM 0 HG22 THR A 33 -18.425 12.314 38.788 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.186 10.724 39.037 1.00 0.00 H new ATOM 288 N LYS A 34 -15.651 11.931 36.053 1.00 0.00 N ATOM 289 CA LYS A 34 -15.091 13.135 35.375 1.00 0.00 C ATOM 290 C LYS A 34 -15.515 13.134 33.903 1.00 0.00 C ATOM 291 O LYS A 34 -15.614 14.172 33.280 1.00 0.00 O ATOM 292 CB LYS A 34 -13.563 13.105 35.466 1.00 0.00 C ATOM 293 CG LYS A 34 -13.104 13.942 36.662 1.00 0.00 C ATOM 294 CD LYS A 34 -13.545 13.263 37.961 1.00 0.00 C ATOM 295 CE LYS A 34 -13.209 14.165 39.148 1.00 0.00 C ATOM 296 NZ LYS A 34 -13.103 13.340 40.385 1.00 0.00 N ATOM 0 H LYS A 34 -14.962 11.232 36.330 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.467 14.035 35.861 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.215 12.078 35.573 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.126 13.495 34.547 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.020 14.053 36.647 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.527 14.945 36.602 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.616 13.064 37.934 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.044 12.301 38.069 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.271 14.689 38.966 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.980 14.925 39.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.874 13.954 41.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.009 12.860 40.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.352 12.630 40.266 1.00 0.00 H new ATOM 297 N PHE A 35 -15.766 11.974 33.348 1.00 0.00 N ATOM 298 CA PHE A 35 -16.186 11.893 31.917 1.00 0.00 C ATOM 299 C PHE A 35 -17.546 12.580 31.735 1.00 0.00 C ATOM 300 O PHE A 35 -17.902 12.972 30.641 1.00 0.00 O ATOM 301 CB PHE A 35 -16.279 10.420 31.513 1.00 0.00 C ATOM 302 CG PHE A 35 -16.671 10.289 30.060 1.00 0.00 C ATOM 303 CD1 PHE A 35 -18.011 10.425 29.683 1.00 0.00 C ATOM 304 CD2 PHE A 35 -15.696 10.022 29.094 1.00 0.00 C ATOM 305 CE1 PHE A 35 -18.377 10.295 28.340 1.00 0.00 C ATOM 306 CE2 PHE A 35 -16.061 9.891 27.749 1.00 0.00 C ATOM 307 CZ PHE A 35 -17.403 10.029 27.372 1.00 0.00 C ATOM 0 H PHE A 35 -15.697 11.076 33.828 1.00 0.00 H new ATOM 0 HA PHE A 35 -15.455 12.398 31.286 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -15.320 9.930 31.682 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -17.011 9.911 32.140 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -18.764 10.631 30.430 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -14.661 9.917 29.386 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -19.412 10.400 28.050 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -15.309 9.684 27.003 1.00 0.00 H new ATOM 0 HZ PHE A 35 -17.686 9.930 26.334 1.00 0.00 H new ATOM 308 N LEU A 36 -18.308 12.742 32.797 1.00 0.00 N ATOM 309 CA LEU A 36 -19.641 13.418 32.680 1.00 0.00 C ATOM 310 C LEU A 36 -19.473 14.771 31.972 1.00 0.00 C ATOM 311 O LEU A 36 -20.380 15.267 31.331 1.00 0.00 O ATOM 312 CB LEU A 36 -20.222 13.641 34.077 1.00 0.00 C ATOM 313 CG LEU A 36 -20.675 12.302 34.662 1.00 0.00 C ATOM 314 CD1 LEU A 36 -20.844 12.438 36.175 1.00 0.00 C ATOM 315 CD2 LEU A 36 -22.013 11.900 34.034 1.00 0.00 C ATOM 0 H LEU A 36 -18.062 12.435 33.738 1.00 0.00 H new ATOM 0 HA LEU A 36 -20.317 12.789 32.100 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -19.474 14.098 34.725 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -21.064 14.331 34.026 1.00 0.00 H new ATOM 0 HG LEU A 36 -19.927 11.539 34.447 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -21.167 11.484 36.592 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -19.893 12.727 36.623 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -21.593 13.200 36.390 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -22.338 10.946 34.449 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -22.760 12.663 34.250 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -21.894 11.804 32.955 1.00 0.00 H new ATOM 316 N GLU A 37 -18.305 15.357 32.078 1.00 0.00 N ATOM 317 CA GLU A 37 -18.046 16.664 31.411 1.00 0.00 C ATOM 318 C GLU A 37 -16.638 16.659 30.790 1.00 0.00 C ATOM 319 O GLU A 37 -16.102 17.702 30.461 1.00 0.00 O ATOM 320 CB GLU A 37 -18.142 17.789 32.443 1.00 0.00 C ATOM 321 CG GLU A 37 -18.426 19.113 31.730 1.00 0.00 C ATOM 322 CD GLU A 37 -17.934 20.275 32.595 1.00 0.00 C ATOM 323 OE1 GLU A 37 -18.131 20.218 33.797 1.00 0.00 O ATOM 324 OE2 GLU A 37 -17.368 21.203 32.040 1.00 0.00 O ATOM 0 H GLU A 37 -17.516 14.980 32.603 1.00 0.00 H new ATOM 0 HA GLU A 37 -18.786 16.822 30.627 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -18.934 17.573 33.160 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -17.212 17.860 33.007 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.927 19.131 30.761 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -19.495 19.214 31.540 1.00 0.00 H new ATOM 325 N GLU A 38 -16.038 15.501 30.623 1.00 0.00 N ATOM 326 CA GLU A 38 -14.672 15.438 30.020 1.00 0.00 C ATOM 327 C GLU A 38 -14.793 15.357 28.498 1.00 0.00 C ATOM 328 O GLU A 38 -13.929 15.817 27.775 1.00 0.00 O ATOM 329 CB GLU A 38 -13.927 14.200 30.536 1.00 0.00 C ATOM 330 CG GLU A 38 -12.419 14.442 30.448 1.00 0.00 C ATOM 331 CD GLU A 38 -11.915 15.014 31.774 1.00 0.00 C ATOM 332 OE1 GLU A 38 -11.778 14.249 32.713 1.00 0.00 O ATOM 333 OE2 GLU A 38 -11.673 16.209 31.826 1.00 0.00 O ATOM 0 H GLU A 38 -16.438 14.599 30.879 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.116 16.333 30.300 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -14.214 13.993 31.567 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.201 13.325 29.947 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.903 13.509 30.223 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.198 15.133 29.634 1.00 0.00 H new ATOM 334 N HIS A 39 -15.858 14.772 28.005 1.00 0.00 N ATOM 335 CA HIS A 39 -16.038 14.656 26.528 1.00 0.00 C ATOM 336 C HIS A 39 -17.538 14.685 26.192 1.00 0.00 C ATOM 337 O HIS A 39 -18.171 13.649 26.160 1.00 0.00 O ATOM 338 CB HIS A 39 -15.432 13.336 26.043 1.00 0.00 C ATOM 339 CG HIS A 39 -14.002 13.242 26.506 1.00 0.00 C ATOM 340 ND1 HIS A 39 -13.653 12.613 27.691 1.00 0.00 N ATOM 341 CD2 HIS A 39 -12.828 13.697 25.961 1.00 0.00 C ATOM 342 CE1 HIS A 39 -12.316 12.708 27.820 1.00 0.00 C ATOM 343 NE2 HIS A 39 -11.764 13.358 26.793 1.00 0.00 N ATOM 0 H HIS A 39 -16.610 14.370 28.565 1.00 0.00 H new ATOM 0 HA HIS A 39 -15.538 15.489 26.034 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -16.007 12.495 26.430 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -15.478 13.280 24.955 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -12.742 14.236 25.029 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.758 12.307 28.653 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.775 13.562 26.649 1.00 0.00 H new ATOM 344 N PRO A 40 -18.075 15.869 25.954 1.00 0.00 N ATOM 345 CA PRO A 40 -19.518 16.061 25.616 1.00 0.00 C ATOM 346 C PRO A 40 -19.751 15.889 24.111 1.00 0.00 C ATOM 347 O PRO A 40 -20.397 16.705 23.480 1.00 0.00 O ATOM 348 CB PRO A 40 -19.791 17.496 26.043 1.00 0.00 C ATOM 349 CG PRO A 40 -18.458 18.234 26.022 1.00 0.00 C ATOM 350 CD PRO A 40 -17.343 17.183 25.986 1.00 0.00 C ATOM 0 HA PRO A 40 -20.171 15.338 26.105 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -20.503 17.969 25.367 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -20.230 17.524 27.040 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -18.396 18.887 25.151 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -18.358 18.868 26.903 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.708 17.306 25.109 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -16.697 17.258 26.861 1.00 0.00 H new ATOM 351 N GLY A 41 -19.236 14.832 23.534 1.00 0.00 N ATOM 352 CA GLY A 41 -19.429 14.598 22.073 1.00 0.00 C ATOM 353 C GLY A 41 -20.388 13.425 21.871 1.00 0.00 C ATOM 354 O GLY A 41 -20.301 12.702 20.896 1.00 0.00 O ATOM 0 H GLY A 41 -18.688 14.119 24.016 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -19.828 15.495 21.599 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.471 14.386 21.598 1.00 0.00 H new ATOM 355 N GLY A 42 -21.302 13.232 22.789 1.00 0.00 N ATOM 356 CA GLY A 42 -22.273 12.106 22.664 1.00 0.00 C ATOM 357 C GLY A 42 -23.343 12.238 23.749 1.00 0.00 C ATOM 358 O GLY A 42 -23.155 12.926 24.734 1.00 0.00 O ATOM 0 H GLY A 42 -21.416 13.809 23.622 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -22.736 12.118 21.677 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -21.755 11.152 22.762 1.00 0.00 H new ATOM 359 N GLU A 43 -24.463 11.587 23.572 1.00 0.00 N ATOM 360 CA GLU A 43 -25.553 11.671 24.587 1.00 0.00 C ATOM 361 C GLU A 43 -25.747 10.308 25.261 1.00 0.00 C ATOM 362 O GLU A 43 -26.253 10.223 26.364 1.00 0.00 O ATOM 363 CB GLU A 43 -26.856 12.090 23.901 1.00 0.00 C ATOM 364 CG GLU A 43 -27.145 11.150 22.725 1.00 0.00 C ATOM 365 CD GLU A 43 -26.668 11.794 21.421 1.00 0.00 C ATOM 366 OE1 GLU A 43 -25.677 12.505 21.461 1.00 0.00 O ATOM 367 OE2 GLU A 43 -27.303 11.566 20.405 1.00 0.00 O ATOM 0 H GLU A 43 -24.670 10.999 22.765 1.00 0.00 H new ATOM 0 HA GLU A 43 -25.282 12.408 25.343 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -27.680 12.060 24.614 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -26.778 13.118 23.547 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -26.640 10.196 22.877 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -28.213 10.940 22.669 1.00 0.00 H new ATOM 368 N GLU A 44 -25.362 9.241 24.601 1.00 0.00 N ATOM 369 CA GLU A 44 -25.531 7.887 25.188 1.00 0.00 C ATOM 370 C GLU A 44 -24.285 7.502 25.999 1.00 0.00 C ATOM 371 O GLU A 44 -23.776 6.401 25.882 1.00 0.00 O ATOM 372 CB GLU A 44 -25.723 6.899 24.038 1.00 0.00 C ATOM 373 CG GLU A 44 -27.213 6.782 23.690 1.00 0.00 C ATOM 374 CD GLU A 44 -27.736 5.394 24.080 1.00 0.00 C ATOM 375 OE1 GLU A 44 -27.223 4.836 25.034 1.00 0.00 O ATOM 376 OE2 GLU A 44 -28.641 4.917 23.416 1.00 0.00 O ATOM 0 H GLU A 44 -24.936 9.257 23.675 1.00 0.00 H new ATOM 0 HA GLU A 44 -26.392 7.872 25.856 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -25.162 7.231 23.165 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -25.328 5.922 24.317 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -27.779 7.553 24.213 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -27.360 6.948 22.623 1.00 0.00 H new ATOM 377 N VAL A 45 -23.789 8.397 26.821 1.00 0.00 N ATOM 378 CA VAL A 45 -22.577 8.079 27.632 1.00 0.00 C ATOM 379 C VAL A 45 -22.913 8.137 29.129 1.00 0.00 C ATOM 380 O VAL A 45 -23.675 8.972 29.567 1.00 0.00 O ATOM 381 CB VAL A 45 -21.466 9.087 27.295 1.00 0.00 C ATOM 382 CG1 VAL A 45 -21.231 9.078 25.786 1.00 0.00 C ATOM 383 CG2 VAL A 45 -21.875 10.503 27.727 1.00 0.00 C ATOM 0 H VAL A 45 -24.172 9.331 26.963 1.00 0.00 H new ATOM 0 HA VAL A 45 -22.234 7.072 27.396 1.00 0.00 H new ATOM 0 HB VAL A 45 -20.557 8.804 27.826 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -20.444 9.790 25.536 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -20.930 8.079 25.471 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -22.151 9.359 25.273 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -21.077 11.203 27.481 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -22.787 10.794 27.205 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -22.052 10.518 28.802 1.00 0.00 H new ATOM 384 N LEU A 46 -22.333 7.257 29.908 1.00 0.00 N ATOM 385 CA LEU A 46 -22.585 7.240 31.384 1.00 0.00 C ATOM 386 C LEU A 46 -24.092 7.136 31.690 1.00 0.00 C ATOM 387 O LEU A 46 -24.612 6.052 31.869 1.00 0.00 O ATOM 388 CB LEU A 46 -21.997 8.507 32.029 1.00 0.00 C ATOM 389 CG LEU A 46 -20.470 8.382 32.178 1.00 0.00 C ATOM 390 CD1 LEU A 46 -20.112 7.155 33.016 1.00 0.00 C ATOM 391 CD2 LEU A 46 -19.826 8.254 30.796 1.00 0.00 C ATOM 0 H LEU A 46 -21.687 6.540 29.579 1.00 0.00 H new ATOM 0 HA LEU A 46 -22.096 6.362 31.805 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -22.238 9.377 31.419 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -22.451 8.668 33.007 1.00 0.00 H new ATOM 0 HG LEU A 46 -20.096 9.275 32.679 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -19.029 7.083 33.111 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -20.557 7.248 34.006 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -20.494 6.258 32.529 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -18.745 8.166 30.905 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -20.214 7.367 30.295 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -20.060 9.138 30.202 1.00 0.00 H new ATOM 392 N ARG A 47 -24.795 8.249 31.780 1.00 0.00 N ATOM 393 CA ARG A 47 -26.262 8.217 32.101 1.00 0.00 C ATOM 394 C ARG A 47 -27.001 7.192 31.229 1.00 0.00 C ATOM 395 O ARG A 47 -28.024 6.664 31.622 1.00 0.00 O ATOM 396 CB ARG A 47 -26.858 9.605 31.861 1.00 0.00 C ATOM 397 CG ARG A 47 -26.450 10.541 32.999 1.00 0.00 C ATOM 398 CD ARG A 47 -25.171 11.287 32.616 1.00 0.00 C ATOM 399 NE ARG A 47 -25.209 12.663 33.184 1.00 0.00 N ATOM 400 CZ ARG A 47 -25.577 13.668 32.437 1.00 0.00 C ATOM 401 NH1 ARG A 47 -25.060 13.822 31.249 1.00 0.00 N ATOM 402 NH2 ARG A 47 -26.464 14.518 32.878 1.00 0.00 N ATOM 0 H ARG A 47 -24.410 9.183 31.643 1.00 0.00 H new ATOM 0 HA ARG A 47 -26.380 7.927 33.145 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -26.510 10.002 30.907 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -27.944 9.540 31.801 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -27.250 11.252 33.203 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -26.290 9.970 33.913 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -24.299 10.751 32.991 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -25.075 11.333 31.531 1.00 0.00 H new ATOM 0 HE ARG A 47 -24.947 12.820 34.157 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -24.368 13.157 30.904 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -25.348 14.608 30.665 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -26.869 14.397 33.806 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -26.752 15.304 32.294 1.00 0.00 H new ATOM 403 N GLU A 48 -26.492 6.907 30.059 1.00 0.00 N ATOM 404 CA GLU A 48 -27.167 5.916 29.170 1.00 0.00 C ATOM 405 C GLU A 48 -26.567 4.528 29.411 1.00 0.00 C ATOM 406 O GLU A 48 -25.499 4.209 28.922 1.00 0.00 O ATOM 407 CB GLU A 48 -26.968 6.321 27.703 1.00 0.00 C ATOM 408 CG GLU A 48 -28.273 6.902 27.147 1.00 0.00 C ATOM 409 CD GLU A 48 -28.480 8.313 27.699 1.00 0.00 C ATOM 410 OE1 GLU A 48 -28.381 8.478 28.904 1.00 0.00 O ATOM 411 OE2 GLU A 48 -28.733 9.206 26.906 1.00 0.00 O ATOM 0 H GLU A 48 -25.638 7.318 29.681 1.00 0.00 H new ATOM 0 HA GLU A 48 -28.234 5.893 29.392 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -26.168 7.057 27.624 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -26.664 5.455 27.115 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -28.237 6.928 26.058 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -29.114 6.265 27.423 1.00 0.00 H new ATOM 412 N GLN A 49 -27.250 3.703 30.165 1.00 0.00 N ATOM 413 CA GLN A 49 -26.732 2.332 30.449 1.00 0.00 C ATOM 414 C GLN A 49 -27.607 1.299 29.736 1.00 0.00 C ATOM 415 O GLN A 49 -28.795 1.208 29.978 1.00 0.00 O ATOM 416 CB GLN A 49 -26.769 2.078 31.958 1.00 0.00 C ATOM 417 CG GLN A 49 -25.721 1.026 32.327 1.00 0.00 C ATOM 418 CD GLN A 49 -24.321 1.582 32.058 1.00 0.00 C ATOM 419 OE1 GLN A 49 -23.507 0.932 31.434 1.00 0.00 O ATOM 420 NE2 GLN A 49 -24.004 2.767 32.508 1.00 0.00 N ATOM 0 H GLN A 49 -28.148 3.922 30.597 1.00 0.00 H new ATOM 0 HA GLN A 49 -25.706 2.248 30.090 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -26.575 3.005 32.498 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -27.761 1.738 32.256 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -25.819 0.753 33.378 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -25.881 0.118 31.745 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -24.688 3.313 33.032 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -23.073 3.146 32.335 1.00 0.00 H new ATOM 421 N ALA A 50 -27.024 0.519 28.860 1.00 0.00 N ATOM 422 CA ALA A 50 -27.810 -0.518 28.122 1.00 0.00 C ATOM 423 C ALA A 50 -28.919 0.156 27.307 1.00 0.00 C ATOM 424 O ALA A 50 -29.919 0.588 27.846 1.00 0.00 O ATOM 425 CB ALA A 50 -28.435 -1.498 29.118 1.00 0.00 C ATOM 0 H ALA A 50 -26.033 0.556 28.623 1.00 0.00 H new ATOM 0 HA ALA A 50 -27.144 -1.059 27.450 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -29.007 -2.252 28.577 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -27.647 -1.984 29.693 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -29.097 -0.957 29.794 1.00 0.00 H new ATOM 426 N GLY A 51 -28.742 0.246 26.013 1.00 0.00 N ATOM 427 CA GLY A 51 -29.778 0.890 25.154 1.00 0.00 C ATOM 428 C GLY A 51 -30.333 -0.137 24.165 1.00 0.00 C ATOM 429 O GLY A 51 -31.527 -0.366 24.097 1.00 0.00 O ATOM 0 H GLY A 51 -27.922 -0.100 25.515 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -30.583 1.287 25.773 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -29.346 1.733 24.615 1.00 0.00 H new ATOM 430 N GLY A 52 -29.473 -0.759 23.398 1.00 0.00 N ATOM 431 CA GLY A 52 -29.937 -1.775 22.409 1.00 0.00 C ATOM 432 C GLY A 52 -29.498 -3.168 22.862 1.00 0.00 C ATOM 433 O GLY A 52 -30.226 -3.867 23.541 1.00 0.00 O ATOM 0 H GLY A 52 -28.465 -0.605 23.416 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -31.022 -1.737 22.315 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -29.524 -1.554 21.425 1.00 0.00 H new ATOM 434 N ASP A 53 -28.310 -3.574 22.490 1.00 0.00 N ATOM 435 CA ASP A 53 -27.811 -4.922 22.893 1.00 0.00 C ATOM 436 C ASP A 53 -26.351 -5.074 22.466 1.00 0.00 C ATOM 437 O ASP A 53 -25.960 -4.641 21.399 1.00 0.00 O ATOM 438 CB ASP A 53 -28.657 -6.003 22.216 1.00 0.00 C ATOM 439 CG ASP A 53 -28.677 -7.257 23.090 1.00 0.00 C ATOM 440 OD1 ASP A 53 -29.105 -7.157 24.227 1.00 0.00 O ATOM 441 OD2 ASP A 53 -28.264 -8.298 22.605 1.00 0.00 O ATOM 0 H ASP A 53 -27.663 -3.027 21.922 1.00 0.00 H new ATOM 0 HA ASP A 53 -27.885 -5.028 23.975 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -29.673 -5.640 22.059 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -28.247 -6.238 21.234 1.00 0.00 H new ATOM 442 N ALA A 54 -25.543 -5.688 23.294 1.00 0.00 N ATOM 443 CA ALA A 54 -24.099 -5.879 22.950 1.00 0.00 C ATOM 444 C ALA A 54 -23.434 -4.514 22.743 1.00 0.00 C ATOM 445 O ALA A 54 -23.442 -3.971 21.654 1.00 0.00 O ATOM 446 CB ALA A 54 -23.980 -6.705 21.666 1.00 0.00 C ATOM 0 H ALA A 54 -25.823 -6.067 24.199 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.602 -6.404 23.766 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -22.928 -6.842 21.418 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -24.448 -7.678 21.815 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -24.480 -6.183 20.850 1.00 0.00 H new ATOM 447 N THR A 55 -22.860 -3.962 23.780 1.00 0.00 N ATOM 448 CA THR A 55 -22.192 -2.633 23.655 1.00 0.00 C ATOM 449 C THR A 55 -20.994 -2.751 22.710 1.00 0.00 C ATOM 450 O THR A 55 -20.432 -3.817 22.538 1.00 0.00 O ATOM 451 CB THR A 55 -21.711 -2.171 25.033 1.00 0.00 C ATOM 452 OG1 THR A 55 -20.711 -3.063 25.507 1.00 0.00 O ATOM 453 CG2 THR A 55 -22.890 -2.157 26.008 1.00 0.00 C ATOM 0 H THR A 55 -22.825 -4.376 24.711 1.00 0.00 H new ATOM 0 HA THR A 55 -22.900 -1.907 23.255 1.00 0.00 H new ATOM 0 HB THR A 55 -21.295 -1.167 24.956 1.00 0.00 H new ATOM 0 HG1 THR A 55 -20.764 -3.125 26.484 1.00 0.00 H new ATOM 0 HG21 THR A 55 -22.547 -1.828 26.989 1.00 0.00 H new ATOM 0 HG22 THR A 55 -23.656 -1.473 25.643 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.308 -3.160 26.088 1.00 0.00 H new ATOM 454 N GLU A 56 -20.602 -1.663 22.098 1.00 0.00 N ATOM 455 CA GLU A 56 -19.441 -1.700 21.161 1.00 0.00 C ATOM 456 C GLU A 56 -19.140 -0.285 20.666 1.00 0.00 C ATOM 457 O GLU A 56 -17.995 0.106 20.533 1.00 0.00 O ATOM 458 CB GLU A 56 -19.776 -2.598 19.968 1.00 0.00 C ATOM 459 CG GLU A 56 -18.507 -2.866 19.158 1.00 0.00 C ATOM 460 CD GLU A 56 -18.864 -3.651 17.894 1.00 0.00 C ATOM 461 OE1 GLU A 56 -19.303 -4.781 18.025 1.00 0.00 O ATOM 462 OE2 GLU A 56 -18.693 -3.107 16.814 1.00 0.00 O ATOM 0 H GLU A 56 -21.038 -0.748 22.208 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.568 -2.097 21.680 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -20.203 -3.538 20.316 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -20.527 -2.120 19.339 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.028 -1.924 18.891 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.792 -3.428 19.758 1.00 0.00 H new ATOM 463 N ASN A 57 -20.162 0.487 20.391 1.00 0.00 N ATOM 464 CA ASN A 57 -19.946 1.881 19.903 1.00 0.00 C ATOM 465 C ASN A 57 -19.960 2.846 21.090 1.00 0.00 C ATOM 466 O ASN A 57 -20.999 3.335 21.489 1.00 0.00 O ATOM 467 CB ASN A 57 -21.062 2.258 18.925 1.00 0.00 C ATOM 468 CG ASN A 57 -20.614 1.949 17.496 1.00 0.00 C ATOM 469 OD1 ASN A 57 -21.205 1.125 16.826 1.00 0.00 O ATOM 470 ND2 ASN A 57 -19.587 2.580 16.995 1.00 0.00 N ATOM 0 H ASN A 57 -21.139 0.209 20.484 1.00 0.00 H new ATOM 0 HA ASN A 57 -18.983 1.943 19.397 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -21.970 1.703 19.161 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -21.302 3.317 19.021 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -19.281 2.381 16.042 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.090 3.272 17.556 1.00 0.00 H new ATOM 471 N PHE A 58 -18.812 3.122 21.653 1.00 0.00 N ATOM 472 CA PHE A 58 -18.747 4.055 22.816 1.00 0.00 C ATOM 473 C PHE A 58 -17.983 5.319 22.413 1.00 0.00 C ATOM 474 O PHE A 58 -16.916 5.250 21.834 1.00 0.00 O ATOM 475 CB PHE A 58 -18.024 3.373 23.980 1.00 0.00 C ATOM 476 CG PHE A 58 -18.504 3.962 25.286 1.00 0.00 C ATOM 477 CD1 PHE A 58 -19.868 3.947 25.601 1.00 0.00 C ATOM 478 CD2 PHE A 58 -17.585 4.521 26.180 1.00 0.00 C ATOM 479 CE1 PHE A 58 -20.313 4.491 26.812 1.00 0.00 C ATOM 480 CE2 PHE A 58 -18.030 5.067 27.391 1.00 0.00 C ATOM 481 CZ PHE A 58 -19.394 5.050 27.707 1.00 0.00 C ATOM 0 H PHE A 58 -17.914 2.740 21.356 1.00 0.00 H new ATOM 0 HA PHE A 58 -19.758 4.322 23.123 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -18.214 2.300 23.961 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.947 3.508 23.882 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -20.577 3.516 24.910 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.533 4.532 25.937 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.365 4.479 27.055 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -17.321 5.501 28.081 1.00 0.00 H new ATOM 0 HZ PHE A 58 -19.737 5.468 28.642 1.00 0.00 H new ATOM 482 N GLU A 59 -18.525 6.473 22.717 1.00 0.00 N ATOM 483 CA GLU A 59 -17.840 7.753 22.357 1.00 0.00 C ATOM 484 C GLU A 59 -17.669 7.837 20.837 1.00 0.00 C ATOM 485 O GLU A 59 -17.792 6.849 20.137 1.00 0.00 O ATOM 486 CB GLU A 59 -16.465 7.811 23.030 1.00 0.00 C ATOM 487 CG GLU A 59 -16.131 9.261 23.386 1.00 0.00 C ATOM 488 CD GLU A 59 -14.801 9.307 24.142 1.00 0.00 C ATOM 489 OE1 GLU A 59 -14.683 8.610 25.136 1.00 0.00 O ATOM 490 OE2 GLU A 59 -13.923 10.039 23.713 1.00 0.00 O ATOM 0 H GLU A 59 -19.416 6.583 23.201 1.00 0.00 H new ATOM 0 HA GLU A 59 -18.446 8.592 22.700 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -16.462 7.195 23.929 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.705 7.405 22.363 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.068 9.864 22.480 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.925 9.688 23.999 1.00 0.00 H new ATOM 491 N ASP A 60 -17.384 9.007 20.327 1.00 0.00 N ATOM 492 CA ASP A 60 -17.204 9.165 18.854 1.00 0.00 C ATOM 493 C ASP A 60 -15.798 9.697 18.568 1.00 0.00 C ATOM 494 O ASP A 60 -15.053 9.122 17.798 1.00 0.00 O ATOM 495 CB ASP A 60 -18.243 10.150 18.314 1.00 0.00 C ATOM 496 CG ASP A 60 -18.162 10.192 16.787 1.00 0.00 C ATOM 497 OD1 ASP A 60 -18.490 9.192 16.168 1.00 0.00 O ATOM 498 OD2 ASP A 60 -17.776 11.222 16.261 1.00 0.00 O ATOM 0 H ASP A 60 -17.268 9.863 20.870 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.334 8.199 18.366 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -19.243 9.849 18.627 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -18.066 11.144 18.726 1.00 0.00 H new ATOM 499 N VAL A 61 -15.434 10.794 19.183 1.00 0.00 N ATOM 500 CA VAL A 61 -14.079 11.373 18.954 1.00 0.00 C ATOM 501 C VAL A 61 -13.222 11.166 20.215 1.00 0.00 C ATOM 502 O VAL A 61 -13.722 10.762 21.249 1.00 0.00 O ATOM 503 CB VAL A 61 -14.224 12.873 18.613 1.00 0.00 C ATOM 504 CG1 VAL A 61 -14.613 13.680 19.857 1.00 0.00 C ATOM 505 CG2 VAL A 61 -12.901 13.407 18.057 1.00 0.00 C ATOM 0 H VAL A 61 -16.020 11.314 19.836 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.585 10.876 18.119 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.010 12.980 17.866 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.709 14.733 19.592 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.564 13.315 20.245 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.843 13.567 20.620 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.008 14.465 17.818 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.116 13.281 18.802 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.637 12.856 17.155 1.00 0.00 H new ATOM 506 N GLY A 62 -11.945 11.437 20.134 1.00 0.00 N ATOM 507 CA GLY A 62 -11.058 11.257 21.320 1.00 0.00 C ATOM 508 C GLY A 62 -10.682 12.626 21.890 1.00 0.00 C ATOM 509 O GLY A 62 -11.533 13.459 22.141 1.00 0.00 O ATOM 0 H GLY A 62 -11.477 11.777 19.294 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.565 10.662 22.080 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.159 10.711 21.035 1.00 0.00 H new ATOM 510 N HIS A 63 -9.411 12.863 22.095 1.00 0.00 N ATOM 511 CA HIS A 63 -8.966 14.176 22.647 1.00 0.00 C ATOM 512 C HIS A 63 -8.566 15.103 21.500 1.00 0.00 C ATOM 513 O HIS A 63 -9.268 16.043 21.176 1.00 0.00 O ATOM 514 CB HIS A 63 -7.767 13.960 23.572 1.00 0.00 C ATOM 515 CG HIS A 63 -8.252 13.669 24.965 1.00 0.00 C ATOM 516 ND1 HIS A 63 -8.115 14.580 26.001 1.00 0.00 N ATOM 517 CD2 HIS A 63 -8.875 12.573 25.509 1.00 0.00 C ATOM 518 CE1 HIS A 63 -8.644 14.023 27.105 1.00 0.00 C ATOM 519 NE2 HIS A 63 -9.122 12.799 26.861 1.00 0.00 N ATOM 0 H HIS A 63 -8.660 12.200 21.903 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.782 14.629 23.210 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.158 13.133 23.208 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -7.132 14.846 23.575 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -9.134 11.673 24.971 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -8.678 14.506 28.070 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -9.571 12.166 27.523 1.00 0.00 H new ATOM 520 N SER A 64 -7.440 14.845 20.882 1.00 0.00 N ATOM 521 CA SER A 64 -6.983 15.707 19.753 1.00 0.00 C ATOM 522 C SER A 64 -6.829 14.855 18.491 1.00 0.00 C ATOM 523 O SER A 64 -7.224 15.255 17.412 1.00 0.00 O ATOM 524 CB SER A 64 -5.637 16.339 20.109 1.00 0.00 C ATOM 525 OG SER A 64 -5.534 17.608 19.476 1.00 0.00 O ATOM 0 H SER A 64 -6.817 14.071 21.113 1.00 0.00 H new ATOM 0 HA SER A 64 -7.718 16.492 19.574 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.548 16.450 21.190 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.821 15.692 19.787 1.00 0.00 H new ATOM 0 HG SER A 64 -4.673 18.018 19.703 1.00 0.00 H new ATOM 526 N THR A 65 -6.258 13.685 18.621 1.00 0.00 N ATOM 527 CA THR A 65 -6.074 12.798 17.434 1.00 0.00 C ATOM 528 C THR A 65 -7.196 11.761 17.394 1.00 0.00 C ATOM 529 O THR A 65 -7.896 11.554 18.367 1.00 0.00 O ATOM 530 CB THR A 65 -4.722 12.087 17.535 1.00 0.00 C ATOM 531 OG1 THR A 65 -4.608 11.142 16.478 1.00 0.00 O ATOM 532 CG2 THR A 65 -4.622 11.365 18.880 1.00 0.00 C ATOM 0 H THR A 65 -5.910 13.305 19.501 1.00 0.00 H new ATOM 0 HA THR A 65 -6.102 13.397 16.524 1.00 0.00 H new ATOM 0 HB THR A 65 -3.918 12.819 17.459 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.743 10.686 16.539 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.659 10.859 18.951 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.712 12.090 19.689 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.424 10.631 18.960 1.00 0.00 H new ATOM 533 N ASP A 66 -7.373 11.108 16.272 1.00 0.00 N ATOM 534 CA ASP A 66 -8.448 10.081 16.156 1.00 0.00 C ATOM 535 C ASP A 66 -8.023 8.811 16.897 1.00 0.00 C ATOM 536 O ASP A 66 -7.367 7.949 16.341 1.00 0.00 O ATOM 537 CB ASP A 66 -8.685 9.754 14.680 1.00 0.00 C ATOM 538 CG ASP A 66 -10.040 9.064 14.520 1.00 0.00 C ATOM 539 OD1 ASP A 66 -10.963 9.447 15.219 1.00 0.00 O ATOM 540 OD2 ASP A 66 -10.131 8.164 13.701 1.00 0.00 O ATOM 0 H ASP A 66 -6.815 11.245 15.429 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.368 10.468 16.595 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.658 10.667 14.086 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.890 9.108 14.308 1.00 0.00 H new ATOM 541 N ALA A 67 -8.394 8.693 18.147 1.00 0.00 N ATOM 542 CA ALA A 67 -8.016 7.482 18.933 1.00 0.00 C ATOM 543 C ALA A 67 -8.896 6.304 18.511 1.00 0.00 C ATOM 544 O ALA A 67 -9.581 6.362 17.506 1.00 0.00 O ATOM 545 CB ALA A 67 -8.218 7.761 20.424 1.00 0.00 C ATOM 0 H ALA A 67 -8.943 9.385 18.657 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.970 7.238 18.746 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.942 6.878 21.000 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.592 8.601 20.725 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.264 8.004 20.610 1.00 0.00 H new ATOM 546 N ARG A 68 -8.880 5.239 19.270 1.00 0.00 N ATOM 547 CA ARG A 68 -9.713 4.050 18.920 1.00 0.00 C ATOM 548 C ARG A 68 -10.826 3.881 19.956 1.00 0.00 C ATOM 549 O ARG A 68 -11.901 3.401 19.649 1.00 0.00 O ATOM 550 CB ARG A 68 -8.834 2.797 18.906 1.00 0.00 C ATOM 551 CG ARG A 68 -8.092 2.678 20.239 1.00 0.00 C ATOM 552 CD ARG A 68 -7.370 1.331 20.301 1.00 0.00 C ATOM 553 NE ARG A 68 -6.121 1.398 19.492 1.00 0.00 N ATOM 554 CZ ARG A 68 -4.961 1.209 20.060 1.00 0.00 C ATOM 555 NH1 ARG A 68 -4.484 0.001 20.183 1.00 0.00 N ATOM 556 NH2 ARG A 68 -4.281 2.228 20.509 1.00 0.00 N ATOM 0 H ARG A 68 -8.324 5.141 20.120 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.155 4.195 17.934 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.447 1.912 18.739 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.120 2.850 18.084 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.375 3.492 20.342 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.795 2.765 21.068 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.133 1.081 21.335 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.019 0.541 19.923 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.172 1.592 18.492 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.017 -0.796 19.835 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.578 -0.147 20.627 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.656 3.172 20.416 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.375 2.081 20.953 1.00 0.00 H new ATOM 557 N GLU A 69 -10.574 4.274 21.179 1.00 0.00 N ATOM 558 CA GLU A 69 -11.613 4.141 22.244 1.00 0.00 C ATOM 559 C GLU A 69 -11.090 4.753 23.545 1.00 0.00 C ATOM 560 O GLU A 69 -10.136 4.271 24.126 1.00 0.00 O ATOM 561 CB GLU A 69 -11.928 2.658 22.463 1.00 0.00 C ATOM 562 CG GLU A 69 -13.421 2.487 22.754 1.00 0.00 C ATOM 563 CD GLU A 69 -13.706 1.031 23.127 1.00 0.00 C ATOM 564 OE1 GLU A 69 -13.073 0.159 22.553 1.00 0.00 O ATOM 565 OE2 GLU A 69 -14.551 0.812 23.979 1.00 0.00 O ATOM 0 H GLU A 69 -9.691 4.682 21.486 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.520 4.663 21.938 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.651 2.083 21.579 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.339 2.270 23.294 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.721 3.147 23.568 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.007 2.771 21.880 1.00 0.00 H new ATOM 566 N LEU A 70 -11.710 5.810 24.004 1.00 0.00 N ATOM 567 CA LEU A 70 -11.255 6.462 25.268 1.00 0.00 C ATOM 568 C LEU A 70 -11.384 5.482 26.438 1.00 0.00 C ATOM 569 O LEU A 70 -10.718 5.624 27.445 1.00 0.00 O ATOM 570 CB LEU A 70 -12.120 7.697 25.549 1.00 0.00 C ATOM 571 CG LEU A 70 -11.257 8.820 26.139 1.00 0.00 C ATOM 572 CD1 LEU A 70 -12.135 10.043 26.412 1.00 0.00 C ATOM 573 CD2 LEU A 70 -10.620 8.356 27.455 1.00 0.00 C ATOM 0 H LEU A 70 -12.514 6.250 23.556 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.212 6.759 25.158 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.593 8.037 24.628 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.921 7.440 26.243 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.471 9.076 25.429 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.525 10.843 26.831 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.587 10.382 25.480 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.920 9.777 27.120 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.009 9.159 27.867 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.404 8.095 28.166 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.994 7.483 27.268 1.00 0.00 H new ATOM 574 N SER A 71 -12.241 4.495 26.320 1.00 0.00 N ATOM 575 CA SER A 71 -12.427 3.505 27.431 1.00 0.00 C ATOM 576 C SER A 71 -11.077 2.905 27.847 1.00 0.00 C ATOM 577 O SER A 71 -10.618 1.934 27.278 1.00 0.00 O ATOM 578 CB SER A 71 -13.354 2.384 26.956 1.00 0.00 C ATOM 579 OG SER A 71 -13.198 2.207 25.556 1.00 0.00 O ATOM 0 H SER A 71 -12.823 4.331 25.498 1.00 0.00 H new ATOM 0 HA SER A 71 -12.865 4.015 28.289 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.120 1.457 27.480 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.390 2.630 27.190 1.00 0.00 H new ATOM 0 HG SER A 71 -14.031 1.859 25.175 1.00 0.00 H new ATOM 580 N LYS A 72 -10.447 3.483 28.840 1.00 0.00 N ATOM 581 CA LYS A 72 -9.128 2.964 29.312 1.00 0.00 C ATOM 582 C LYS A 72 -8.619 3.836 30.464 1.00 0.00 C ATOM 583 O LYS A 72 -8.026 3.346 31.407 1.00 0.00 O ATOM 584 CB LYS A 72 -8.113 3.005 28.163 1.00 0.00 C ATOM 585 CG LYS A 72 -7.165 1.809 28.275 1.00 0.00 C ATOM 586 CD LYS A 72 -5.781 2.206 27.757 1.00 0.00 C ATOM 587 CE LYS A 72 -5.848 2.438 26.246 1.00 0.00 C ATOM 588 NZ LYS A 72 -4.525 2.928 25.761 1.00 0.00 N ATOM 0 H LYS A 72 -10.793 4.298 29.347 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.249 1.936 29.653 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.632 2.983 27.205 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.547 3.936 28.197 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.097 1.481 29.312 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.553 0.968 27.700 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.439 3.111 28.260 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.058 1.423 27.984 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.114 1.512 25.736 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.625 3.165 26.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.569 3.086 24.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.289 3.821 26.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.794 2.219 25.971 1.00 0.00 H new ATOM 589 N THR A 73 -8.841 5.125 30.386 1.00 0.00 N ATOM 590 CA THR A 73 -8.367 6.038 31.469 1.00 0.00 C ATOM 591 C THR A 73 -9.523 6.387 32.412 1.00 0.00 C ATOM 592 O THR A 73 -9.505 7.413 33.065 1.00 0.00 O ATOM 593 CB THR A 73 -7.824 7.327 30.842 1.00 0.00 C ATOM 594 OG1 THR A 73 -7.485 8.245 31.871 1.00 0.00 O ATOM 595 CG2 THR A 73 -8.888 7.945 29.933 1.00 0.00 C ATOM 0 H THR A 73 -9.331 5.584 29.618 1.00 0.00 H new ATOM 0 HA THR A 73 -7.582 5.538 32.036 1.00 0.00 H new ATOM 0 HB THR A 73 -6.937 7.098 30.252 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.235 8.326 32.497 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.499 8.861 29.489 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.146 7.240 29.143 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.778 8.175 30.519 1.00 0.00 H new ATOM 596 N TYR A 74 -10.524 5.543 32.493 1.00 0.00 N ATOM 597 CA TYR A 74 -11.675 5.833 33.399 1.00 0.00 C ATOM 598 C TYR A 74 -12.224 4.522 33.979 1.00 0.00 C ATOM 599 O TYR A 74 -13.385 4.435 34.334 1.00 0.00 O ATOM 600 CB TYR A 74 -12.779 6.552 32.611 1.00 0.00 C ATOM 601 CG TYR A 74 -12.276 7.898 32.131 1.00 0.00 C ATOM 602 CD1 TYR A 74 -11.834 8.854 33.057 1.00 0.00 C ATOM 603 CD2 TYR A 74 -12.242 8.190 30.761 1.00 0.00 C ATOM 604 CE1 TYR A 74 -11.364 10.095 32.615 1.00 0.00 C ATOM 605 CE2 TYR A 74 -11.770 9.432 30.320 1.00 0.00 C ATOM 606 CZ TYR A 74 -11.330 10.383 31.246 1.00 0.00 C ATOM 607 OH TYR A 74 -10.864 11.607 30.810 1.00 0.00 O ATOM 0 H TYR A 74 -10.592 4.669 31.972 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.338 6.471 34.216 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -13.085 5.944 31.760 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -13.659 6.686 33.240 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.857 8.632 34.114 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -12.580 7.456 30.044 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.027 10.831 33.330 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.746 9.656 29.264 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.196 11.471 30.106 1.00 0.00 H new ATOM 608 N ILE A 75 -11.401 3.504 34.078 1.00 0.00 N ATOM 609 CA ILE A 75 -11.877 2.198 34.636 1.00 0.00 C ATOM 610 C ILE A 75 -11.536 2.122 36.129 1.00 0.00 C ATOM 611 O ILE A 75 -10.634 2.787 36.602 1.00 0.00 O ATOM 612 CB ILE A 75 -11.200 1.026 33.911 1.00 0.00 C ATOM 613 CG1 ILE A 75 -11.208 1.278 32.396 1.00 0.00 C ATOM 614 CG2 ILE A 75 -11.964 -0.267 34.222 1.00 0.00 C ATOM 615 CD1 ILE A 75 -10.475 0.143 31.676 1.00 0.00 C ATOM 0 H ILE A 75 -10.421 3.522 33.796 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.956 2.133 34.494 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.169 0.934 34.251 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.234 1.347 32.035 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.728 2.231 32.174 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.488 -1.103 33.710 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.953 -0.446 35.297 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.995 -0.172 33.880 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.484 0.328 30.602 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.444 0.095 32.027 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.974 -0.803 31.886 1.00 0.00 H new ATOM 616 N ILE A 76 -12.254 1.314 36.868 1.00 0.00 N ATOM 617 CA ILE A 76 -11.984 1.182 38.336 1.00 0.00 C ATOM 618 C ILE A 76 -11.672 -0.276 38.679 1.00 0.00 C ATOM 619 O ILE A 76 -10.814 -0.558 39.496 1.00 0.00 O ATOM 620 CB ILE A 76 -13.201 1.630 39.165 1.00 0.00 C ATOM 621 CG1 ILE A 76 -14.516 1.326 38.427 1.00 0.00 C ATOM 622 CG2 ILE A 76 -13.105 3.130 39.435 1.00 0.00 C ATOM 623 CD1 ILE A 76 -15.631 1.066 39.441 1.00 0.00 C ATOM 0 H ILE A 76 -13.019 0.737 36.518 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.133 1.819 38.577 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.200 1.079 40.105 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -14.785 2.164 37.784 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.389 0.457 37.782 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -13.966 3.450 40.022 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.190 3.342 39.988 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.091 3.670 38.488 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -16.560 0.851 38.913 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.363 0.214 40.066 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -15.765 1.947 40.068 1.00 0.00 H new ATOM 624 N GLY A 77 -12.367 -1.202 38.070 1.00 0.00 N ATOM 625 CA GLY A 77 -12.124 -2.644 38.369 1.00 0.00 C ATOM 626 C GLY A 77 -12.804 -3.511 37.308 1.00 0.00 C ATOM 627 O GLY A 77 -12.928 -3.119 36.163 1.00 0.00 O ATOM 0 H GLY A 77 -13.094 -1.021 37.377 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.053 -2.846 38.387 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.511 -2.891 39.357 1.00 0.00 H new ATOM 628 N GLU A 78 -13.246 -4.686 37.682 1.00 0.00 N ATOM 629 CA GLU A 78 -13.922 -5.583 36.699 1.00 0.00 C ATOM 630 C GLU A 78 -15.310 -5.965 37.222 1.00 0.00 C ATOM 631 O GLU A 78 -15.751 -5.481 38.247 1.00 0.00 O ATOM 632 CB GLU A 78 -13.088 -6.850 36.495 1.00 0.00 C ATOM 633 CG GLU A 78 -11.928 -6.547 35.545 1.00 0.00 C ATOM 634 CD GLU A 78 -11.158 -7.837 35.252 1.00 0.00 C ATOM 635 OE1 GLU A 78 -11.800 -8.864 35.098 1.00 0.00 O ATOM 636 OE2 GLU A 78 -9.942 -7.777 35.186 1.00 0.00 O ATOM 0 H GLU A 78 -13.167 -5.062 38.627 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.023 -5.060 35.748 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.706 -7.205 37.452 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.710 -7.646 36.085 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.306 -6.118 34.617 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.263 -5.807 35.990 1.00 0.00 H new ATOM 637 N LEU A 79 -15.998 -6.834 36.525 1.00 0.00 N ATOM 638 CA LEU A 79 -17.358 -7.261 36.974 1.00 0.00 C ATOM 639 C LEU A 79 -17.235 -8.531 37.817 1.00 0.00 C ATOM 640 O LEU A 79 -16.518 -9.448 37.469 1.00 0.00 O ATOM 641 CB LEU A 79 -18.233 -7.556 35.748 1.00 0.00 C ATOM 642 CG LEU A 79 -19.710 -7.242 36.040 1.00 0.00 C ATOM 643 CD1 LEU A 79 -20.215 -8.077 37.219 1.00 0.00 C ATOM 644 CD2 LEU A 79 -19.867 -5.753 36.366 1.00 0.00 C ATOM 0 H LEU A 79 -15.674 -7.268 35.660 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.812 -6.466 37.565 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -17.891 -6.962 34.901 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -18.129 -8.603 35.465 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.298 -7.489 35.156 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -21.262 -7.841 37.410 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.120 -9.137 36.982 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.624 -7.849 38.106 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -20.915 -5.534 36.572 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.266 -5.507 37.241 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.532 -5.157 35.517 1.00 0.00 H new ATOM 645 N HIS A 80 -17.948 -8.597 38.916 1.00 0.00 N ATOM 646 CA HIS A 80 -17.903 -9.814 39.787 1.00 0.00 C ATOM 647 C HIS A 80 -18.208 -11.064 38.927 1.00 0.00 C ATOM 648 O HIS A 80 -19.045 -10.998 38.050 1.00 0.00 O ATOM 649 CB HIS A 80 -18.960 -9.660 40.887 1.00 0.00 C ATOM 650 CG HIS A 80 -18.654 -10.591 42.025 1.00 0.00 C ATOM 651 ND1 HIS A 80 -19.414 -11.722 42.272 1.00 0.00 N ATOM 652 CD2 HIS A 80 -17.672 -10.580 42.986 1.00 0.00 C ATOM 653 CE1 HIS A 80 -18.882 -12.347 43.335 1.00 0.00 C ATOM 654 NE2 HIS A 80 -17.820 -11.693 43.808 1.00 0.00 N ATOM 0 H HIS A 80 -18.563 -7.855 39.249 1.00 0.00 H new ATOM 0 HA HIS A 80 -16.917 -9.928 40.239 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -18.979 -8.630 41.243 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.950 -9.876 40.485 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.906 -9.826 43.087 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -19.266 -13.265 43.755 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.239 -11.954 44.605 1.00 0.00 H new ATOM 655 N PRO A 81 -17.518 -12.164 39.175 1.00 0.00 N ATOM 656 CA PRO A 81 -17.707 -13.430 38.392 1.00 0.00 C ATOM 657 C PRO A 81 -19.017 -14.135 38.766 1.00 0.00 C ATOM 658 O PRO A 81 -19.448 -15.046 38.085 1.00 0.00 O ATOM 659 CB PRO A 81 -16.495 -14.274 38.766 1.00 0.00 C ATOM 660 CG PRO A 81 -16.003 -13.770 40.111 1.00 0.00 C ATOM 661 CD PRO A 81 -16.476 -12.322 40.253 1.00 0.00 C ATOM 0 HA PRO A 81 -17.779 -13.250 37.319 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.762 -15.329 38.824 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.714 -14.184 38.011 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.398 -14.385 40.920 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.916 -13.827 40.169 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -16.895 -12.135 41.242 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -15.654 -11.620 40.118 1.00 0.00 H new ATOM 662 N ASP A 82 -19.657 -13.724 39.836 1.00 0.00 N ATOM 663 CA ASP A 82 -20.939 -14.371 40.243 1.00 0.00 C ATOM 664 C ASP A 82 -21.972 -14.242 39.116 1.00 0.00 C ATOM 665 O ASP A 82 -22.842 -15.080 38.970 1.00 0.00 O ATOM 666 CB ASP A 82 -21.475 -13.687 41.504 1.00 0.00 C ATOM 667 CG ASP A 82 -22.698 -14.449 42.018 1.00 0.00 C ATOM 668 OD1 ASP A 82 -22.521 -15.553 42.505 1.00 0.00 O ATOM 669 OD2 ASP A 82 -23.789 -13.914 41.916 1.00 0.00 O ATOM 0 H ASP A 82 -19.344 -12.967 40.444 1.00 0.00 H new ATOM 0 HA ASP A 82 -20.759 -15.427 40.444 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -20.702 -13.659 42.272 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -21.743 -12.654 41.284 1.00 0.00 H new ATOM 670 N ASP A 83 -21.884 -13.201 38.319 1.00 0.00 N ATOM 671 CA ASP A 83 -22.866 -13.026 37.207 1.00 0.00 C ATOM 672 C ASP A 83 -22.157 -13.184 35.860 1.00 0.00 C ATOM 673 O ASP A 83 -22.754 -13.597 34.883 1.00 0.00 O ATOM 674 CB ASP A 83 -23.491 -11.635 37.296 1.00 0.00 C ATOM 675 CG ASP A 83 -24.747 -11.698 38.167 1.00 0.00 C ATOM 676 OD1 ASP A 83 -24.611 -11.610 39.376 1.00 0.00 O ATOM 677 OD2 ASP A 83 -25.824 -11.834 37.610 1.00 0.00 O ATOM 0 H ASP A 83 -21.177 -12.470 38.393 1.00 0.00 H new ATOM 0 HA ASP A 83 -23.646 -13.783 37.292 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -22.776 -10.929 37.719 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -23.744 -11.273 36.299 1.00 0.00 H new ATOM 678 N ARG A 84 -20.891 -12.856 35.799 1.00 0.00 N ATOM 679 CA ARG A 84 -20.140 -12.985 34.515 1.00 0.00 C ATOM 680 C ARG A 84 -19.677 -14.433 34.338 1.00 0.00 C ATOM 681 O ARG A 84 -20.222 -15.172 33.539 1.00 0.00 O ATOM 682 CB ARG A 84 -18.925 -12.057 34.540 1.00 0.00 C ATOM 683 CG ARG A 84 -19.284 -10.725 33.877 1.00 0.00 C ATOM 684 CD ARG A 84 -19.360 -10.912 32.360 1.00 0.00 C ATOM 685 NE ARG A 84 -20.057 -9.746 31.749 1.00 0.00 N ATOM 686 CZ ARG A 84 -20.895 -9.927 30.766 1.00 0.00 C ATOM 687 NH1 ARG A 84 -22.006 -10.582 30.968 1.00 0.00 N ATOM 688 NH2 ARG A 84 -20.622 -9.455 29.581 1.00 0.00 N ATOM 0 H ARG A 84 -20.345 -12.504 36.585 1.00 0.00 H new ATOM 0 HA ARG A 84 -20.789 -12.709 33.684 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.604 -11.889 35.568 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.089 -12.522 34.017 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -20.239 -10.363 34.257 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -18.537 -9.971 34.124 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -18.357 -11.008 31.944 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -19.893 -11.833 32.123 1.00 0.00 H new ATOM 0 HE ARG A 84 -19.879 -8.805 32.100 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -22.219 -10.952 31.894 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -22.661 -10.724 30.199 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -19.753 -8.944 29.423 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -21.277 -9.597 28.812 1.00 0.00 H new ATOM 689 N SER A 85 -18.676 -14.841 35.076 1.00 0.00 N ATOM 690 CA SER A 85 -18.169 -16.238 34.955 1.00 0.00 C ATOM 691 C SER A 85 -18.928 -17.142 35.929 1.00 0.00 C ATOM 692 O SER A 85 -18.520 -17.330 37.061 1.00 0.00 O ATOM 693 CB SER A 85 -16.677 -16.271 35.287 1.00 0.00 C ATOM 694 OG SER A 85 -15.963 -15.523 34.312 1.00 0.00 O ATOM 0 H SER A 85 -18.187 -14.263 35.760 1.00 0.00 H new ATOM 0 HA SER A 85 -18.322 -16.592 33.935 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.504 -15.855 36.280 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.319 -17.301 35.306 1.00 0.00 H new ATOM 0 HG SER A 85 -15.006 -15.540 34.523 1.00 0.00 H new ATOM 695 N LYS A 86 -20.030 -17.703 35.497 1.00 0.00 N ATOM 696 CA LYS A 86 -20.823 -18.596 36.390 1.00 0.00 C ATOM 697 C LYS A 86 -22.003 -19.178 35.611 1.00 0.00 C ATOM 698 O LYS A 86 -22.223 -20.374 35.604 1.00 0.00 O ATOM 699 CB LYS A 86 -21.345 -17.793 37.583 1.00 0.00 C ATOM 700 CG LYS A 86 -21.600 -18.735 38.762 1.00 0.00 C ATOM 701 CD LYS A 86 -21.355 -17.989 40.074 1.00 0.00 C ATOM 702 CE LYS A 86 -21.098 -18.998 41.195 1.00 0.00 C ATOM 703 NZ LYS A 86 -20.130 -18.420 42.170 1.00 0.00 N ATOM 0 H LYS A 86 -20.414 -17.579 34.560 1.00 0.00 H new ATOM 0 HA LYS A 86 -20.189 -19.407 36.748 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -20.621 -17.029 37.865 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -22.265 -17.276 37.312 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -22.624 -19.107 38.729 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -20.943 -19.602 38.697 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -20.501 -17.320 39.970 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -22.218 -17.369 40.319 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -22.033 -19.246 41.698 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.703 -19.926 40.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -19.954 -19.105 42.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -19.235 -18.205 41.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -20.524 -17.546 42.574 1.00 0.00 H new ATOM 704 N ILE A 87 -22.763 -18.337 34.954 1.00 0.00 N ATOM 705 CA ILE A 87 -23.933 -18.831 34.171 1.00 0.00 C ATOM 706 C ILE A 87 -23.452 -19.378 32.826 1.00 0.00 C ATOM 707 O ILE A 87 -24.037 -20.291 32.274 1.00 0.00 O ATOM 708 CB ILE A 87 -24.911 -17.678 33.932 1.00 0.00 C ATOM 709 CG1 ILE A 87 -25.272 -17.025 35.273 1.00 0.00 C ATOM 710 CG2 ILE A 87 -26.180 -18.217 33.269 1.00 0.00 C ATOM 711 CD1 ILE A 87 -24.407 -15.780 35.488 1.00 0.00 C ATOM 0 H ILE A 87 -22.621 -17.327 34.927 1.00 0.00 H new ATOM 0 HA ILE A 87 -24.434 -19.623 34.728 1.00 0.00 H new ATOM 0 HB ILE A 87 -24.447 -16.937 33.282 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -26.327 -16.753 35.284 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -25.117 -17.733 36.087 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -26.878 -17.397 33.098 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -25.924 -18.680 32.316 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -26.644 -18.958 33.920 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -24.665 -15.318 36.441 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -23.355 -16.065 35.496 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -24.584 -15.070 34.680 1.00 0.00 H new ATOM 712 N ALA A 88 -22.389 -18.826 32.298 1.00 0.00 N ATOM 713 CA ALA A 88 -21.861 -19.308 30.987 1.00 0.00 C ATOM 714 C ALA A 88 -20.935 -20.502 31.220 1.00 0.00 C ATOM 715 O ALA A 88 -19.728 -20.358 31.293 1.00 0.00 O ATOM 716 CB ALA A 88 -21.079 -18.181 30.307 1.00 0.00 C ATOM 0 H ALA A 88 -21.863 -18.060 32.720 1.00 0.00 H new ATOM 0 HA ALA A 88 -22.691 -19.610 30.349 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.693 -18.532 29.350 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -21.738 -17.329 30.142 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -20.248 -17.879 30.944 1.00 0.00 H new ATOM 717 N LYS A 89 -21.492 -21.682 31.336 1.00 0.00 N ATOM 718 CA LYS A 89 -20.653 -22.895 31.565 1.00 0.00 C ATOM 719 C LYS A 89 -20.025 -23.354 30.234 1.00 0.00 C ATOM 720 O LYS A 89 -18.823 -23.520 30.161 1.00 0.00 O ATOM 721 CB LYS A 89 -21.520 -24.019 32.148 1.00 0.00 C ATOM 722 CG LYS A 89 -21.261 -24.144 33.653 1.00 0.00 C ATOM 723 CD LYS A 89 -21.482 -25.593 34.091 1.00 0.00 C ATOM 724 CE LYS A 89 -22.040 -25.616 35.514 1.00 0.00 C ATOM 725 NZ LYS A 89 -23.529 -25.642 35.463 1.00 0.00 N ATOM 0 H LYS A 89 -22.496 -21.856 31.281 1.00 0.00 H new ATOM 0 HA LYS A 89 -19.857 -22.654 32.270 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -22.574 -23.809 31.967 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -21.293 -24.962 31.651 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -20.242 -23.835 33.884 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.928 -23.481 34.204 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -22.174 -26.089 33.410 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.543 -26.144 34.048 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -21.668 -26.491 36.048 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.700 -24.739 36.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -23.909 -25.658 36.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -23.874 -24.794 34.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -23.844 -26.492 34.953 1.00 0.00 H new ATOM 726 N PRO A 90 -20.840 -23.548 29.210 1.00 0.00 N ATOM 727 CA PRO A 90 -20.358 -23.992 27.863 1.00 0.00 C ATOM 728 C PRO A 90 -19.788 -22.804 27.083 1.00 0.00 C ATOM 729 O PRO A 90 -18.628 -22.796 26.711 1.00 0.00 O ATOM 730 CB PRO A 90 -21.613 -24.530 27.191 1.00 0.00 C ATOM 731 CG PRO A 90 -22.801 -23.859 27.861 1.00 0.00 C ATOM 732 CD PRO A 90 -22.337 -23.360 29.230 1.00 0.00 C ATOM 0 HA PRO A 90 -19.560 -24.733 27.916 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -21.601 -24.314 26.123 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -21.672 -25.613 27.297 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -23.165 -23.030 27.254 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -23.627 -24.562 27.969 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -22.604 -22.314 29.383 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -22.798 -23.929 30.038 1.00 0.00 H new ATOM 733 N SER A 91 -20.594 -21.803 26.836 1.00 0.00 N ATOM 734 CA SER A 91 -20.107 -20.612 26.081 1.00 0.00 C ATOM 735 C SER A 91 -21.218 -19.563 26.010 1.00 0.00 C ATOM 736 O SER A 91 -22.387 -19.879 26.123 1.00 0.00 O ATOM 737 CB SER A 91 -19.711 -21.032 24.665 1.00 0.00 C ATOM 738 OG SER A 91 -20.820 -21.662 24.036 1.00 0.00 O ATOM 0 H SER A 91 -21.571 -21.760 27.126 1.00 0.00 H new ATOM 0 HA SER A 91 -19.241 -20.189 26.590 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.397 -20.161 24.089 1.00 0.00 H new ATOM 0 HB3 SER A 91 -18.862 -21.714 24.699 1.00 0.00 H new ATOM 0 HG SER A 91 -20.571 -21.931 23.127 1.00 0.00 H new ATOM 739 N GLU A 92 -20.859 -18.319 25.825 1.00 0.00 N ATOM 740 CA GLU A 92 -21.888 -17.240 25.745 1.00 0.00 C ATOM 741 C GLU A 92 -21.808 -16.559 24.377 1.00 0.00 C ATOM 742 O GLU A 92 -22.721 -16.646 23.578 1.00 0.00 O ATOM 743 CB GLU A 92 -21.631 -16.208 26.844 1.00 0.00 C ATOM 744 CG GLU A 92 -22.963 -15.615 27.310 1.00 0.00 C ATOM 745 CD GLU A 92 -22.759 -14.151 27.708 1.00 0.00 C ATOM 746 OE1 GLU A 92 -22.152 -13.428 26.937 1.00 0.00 O ATOM 747 OE2 GLU A 92 -23.216 -13.781 28.776 1.00 0.00 O ATOM 0 H GLU A 92 -19.894 -18.003 25.726 1.00 0.00 H new ATOM 0 HA GLU A 92 -22.879 -17.673 25.878 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -21.116 -16.675 27.683 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -20.980 -15.418 26.470 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -23.704 -15.687 26.513 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.350 -16.183 28.156 1.00 0.00 H new ATOM 748 N THR A 93 -20.721 -15.881 24.106 1.00 0.00 N ATOM 749 CA THR A 93 -20.571 -15.189 22.791 1.00 0.00 C ATOM 750 C THR A 93 -19.182 -14.555 22.705 1.00 0.00 C ATOM 751 O THR A 93 -19.015 -13.480 22.158 1.00 0.00 O ATOM 752 CB THR A 93 -21.639 -14.101 22.664 1.00 0.00 C ATOM 753 OG1 THR A 93 -21.411 -13.353 21.478 1.00 0.00 O ATOM 754 CG2 THR A 93 -21.571 -13.172 23.877 1.00 0.00 C ATOM 0 H THR A 93 -19.930 -15.777 24.741 1.00 0.00 H new ATOM 0 HA THR A 93 -20.691 -15.911 21.983 1.00 0.00 H new ATOM 0 HB THR A 93 -22.625 -14.563 22.619 1.00 0.00 H new ATOM 0 HG1 THR A 93 -20.561 -12.872 21.553 1.00 0.00 H new ATOM 0 HG21 THR A 93 -22.332 -12.397 23.785 1.00 0.00 H new ATOM 0 HG22 THR A 93 -21.746 -13.747 24.786 1.00 0.00 H new ATOM 0 HG23 THR A 93 -20.586 -12.708 23.925 1.00 0.00 H new ATOM 755 N LEU A 94 -18.185 -15.213 23.240 1.00 0.00 N ATOM 756 CA LEU A 94 -16.801 -14.657 23.195 1.00 0.00 C ATOM 757 C LEU A 94 -15.885 -15.629 22.449 1.00 0.00 C ATOM 758 O LEU A 94 -15.146 -15.176 21.591 1.00 0.00 O ATOM 759 CB LEU A 94 -16.283 -14.459 24.621 1.00 0.00 C ATOM 760 CG LEU A 94 -15.366 -13.236 24.667 1.00 0.00 C ATOM 761 CD1 LEU A 94 -15.479 -12.563 26.035 1.00 0.00 C ATOM 762 CD2 LEU A 94 -13.918 -13.677 24.433 1.00 0.00 C ATOM 763 OXT LEU A 94 -15.938 -16.810 22.750 1.00 0.00 O ATOM 0 H LEU A 94 -18.272 -16.115 23.708 1.00 0.00 H new ATOM 0 HA LEU A 94 -16.812 -13.698 22.677 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -17.119 -14.326 25.307 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -15.740 -15.346 24.948 1.00 0.00 H new ATOM 0 HG LEU A 94 -15.662 -12.530 23.891 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -14.825 -11.692 26.067 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -16.510 -12.250 26.202 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.183 -13.267 26.813 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -13.263 -12.807 24.465 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -13.623 -14.383 25.209 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -13.837 -14.156 23.457 1.00 0.00 H new TER 764 LEU A 94