USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 451 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 48 THR OG1 : rot 111:sc= 0.155 USER MOD Set 1.2: A 50 THR OG1 : rot -58:sc= 1.2 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.404 K(o=0.84,f=-1.5!) USER MOD Set 2.2: A 33 TYR OH : rot -96:sc= 0.435 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 176:sc= -1.73 (180deg=-1.78) USER MOD Set 3.2: A 49 ASN : amide:sc= -1.52! C(o=-3.2!,f=-8.6!) USER MOD Set 4.1: A 2 SER OG : rot 168:sc= 1.18 USER MOD Set 4.2: A 43 ASN :FLIP amide:sc= -4.39! C(o=-4.2!,f=-3.2!) USER MOD Single : A 1 ASP N :NH3+ -172:sc= 0.128 (180deg=-0.00203) USER MOD Single : A 4 MET CE :methyl 150:sc= -0.291 (180deg=-1.55!) USER MOD Single : A 8 TYR OH : rot -92:sc=0.000926 USER MOD Single : A 16 TYR OH : rot 91:sc= -0.146! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -26:sc= 0.67 USER MOD Single : A 34 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.72) USER MOD Single : A 35 ASN : amide:sc= -7.04! C(o=-7!,f=-20!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -1.02 K(o=-1,f=-6.1!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 51 HIS : no HE2:sc= -2.38 K(o=-2.4,f=-4.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00124 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.696 -29.433 2.760 1.00 0.00 N ATOM 2 CA ASP A 1 1.055 -28.030 3.114 1.00 0.00 C ATOM 3 C ASP A 1 2.516 -27.773 2.749 1.00 0.00 C ATOM 4 O ASP A 1 3.230 -28.666 2.340 1.00 0.00 O ATOM 5 CB ASP A 1 0.863 -27.815 4.617 1.00 0.00 C ATOM 6 CG ASP A 1 -0.579 -28.147 5.003 1.00 0.00 C ATOM 7 OD1 ASP A 1 -1.420 -28.159 4.119 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.818 -28.385 6.175 1.00 0.00 O ATOM 0 H1 ASP A 1 -0.328 -29.570 2.880 1.00 0.00 H new ATOM 0 H2 ASP A 1 0.956 -29.619 1.770 1.00 0.00 H new ATOM 0 H3 ASP A 1 1.209 -30.090 3.382 1.00 0.00 H new ATOM 0 HA ASP A 1 0.413 -27.342 2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.554 -28.446 5.176 1.00 0.00 H new ATOM 0 HB3 ASP A 1 1.092 -26.782 4.879 1.00 0.00 H new ATOM 15 N SER A 2 2.968 -26.558 2.896 1.00 0.00 N ATOM 16 CA SER A 2 4.385 -26.247 2.559 1.00 0.00 C ATOM 17 C SER A 2 5.299 -27.289 3.204 1.00 0.00 C ATOM 18 O SER A 2 6.364 -27.588 2.704 1.00 0.00 O ATOM 19 CB SER A 2 4.741 -24.860 3.093 1.00 0.00 C ATOM 20 OG SER A 2 4.284 -23.870 2.181 1.00 0.00 O ATOM 0 H SER A 2 2.418 -25.768 3.234 1.00 0.00 H new ATOM 0 HA SER A 2 4.516 -26.266 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.285 -24.707 4.071 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.819 -24.776 3.227 1.00 0.00 H new ATOM 0 HG SER A 2 4.332 -22.988 2.605 1.00 0.00 H new ATOM 26 N GLU A 3 4.891 -27.846 4.312 1.00 0.00 N ATOM 27 CA GLU A 3 5.739 -28.871 4.983 1.00 0.00 C ATOM 28 C GLU A 3 6.088 -29.962 3.973 1.00 0.00 C ATOM 29 O GLU A 3 7.095 -30.632 4.089 1.00 0.00 O ATOM 30 CB GLU A 3 4.972 -29.484 6.157 1.00 0.00 C ATOM 31 CG GLU A 3 5.436 -28.836 7.463 1.00 0.00 C ATOM 32 CD GLU A 3 4.799 -29.565 8.648 1.00 0.00 C ATOM 33 OE1 GLU A 3 4.457 -30.725 8.489 1.00 0.00 O ATOM 34 OE2 GLU A 3 4.665 -28.951 9.694 1.00 0.00 O ATOM 0 H GLU A 3 4.009 -27.636 4.780 1.00 0.00 H new ATOM 0 HA GLU A 3 6.652 -28.408 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.901 -29.333 6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.140 -30.560 6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.523 -28.879 7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.157 -27.782 7.478 1.00 0.00 H new ATOM 41 N MET A 4 5.264 -30.138 2.977 1.00 0.00 N ATOM 42 CA MET A 4 5.549 -31.177 1.949 1.00 0.00 C ATOM 43 C MET A 4 6.596 -30.637 0.975 1.00 0.00 C ATOM 44 O MET A 4 7.329 -31.383 0.356 1.00 0.00 O ATOM 45 CB MET A 4 4.264 -31.511 1.189 1.00 0.00 C ATOM 46 CG MET A 4 3.220 -32.050 2.169 1.00 0.00 C ATOM 47 SD MET A 4 1.732 -32.537 1.260 1.00 0.00 S ATOM 48 CE MET A 4 2.468 -33.910 0.340 1.00 0.00 C ATOM 0 H MET A 4 4.406 -29.607 2.831 1.00 0.00 H new ATOM 0 HA MET A 4 5.925 -32.080 2.430 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.883 -30.621 0.688 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.468 -32.250 0.415 1.00 0.00 H new ATOM 0 HG2 MET A 4 3.623 -32.905 2.712 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.974 -31.289 2.909 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.707 -34.664 0.141 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.869 -33.542 -0.604 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.272 -34.352 0.928 1.00 0.00 H new ATOM 58 N CYS A 5 6.676 -29.341 0.841 1.00 0.00 N ATOM 59 CA CYS A 5 7.679 -28.748 -0.085 1.00 0.00 C ATOM 60 C CYS A 5 9.039 -28.700 0.613 1.00 0.00 C ATOM 61 O CYS A 5 10.070 -28.603 -0.020 1.00 0.00 O ATOM 62 CB CYS A 5 7.250 -27.329 -0.467 1.00 0.00 C ATOM 63 SG CYS A 5 5.524 -27.348 -1.017 1.00 0.00 S ATOM 0 H CYS A 5 6.089 -28.668 1.334 1.00 0.00 H new ATOM 0 HA CYS A 5 7.750 -29.357 -0.986 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.364 -26.661 0.387 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.891 -26.945 -1.260 1.00 0.00 H new ATOM 68 N LYS A 6 9.049 -28.774 1.917 1.00 0.00 N ATOM 69 CA LYS A 6 10.343 -28.739 2.653 1.00 0.00 C ATOM 70 C LYS A 6 11.338 -29.670 1.957 1.00 0.00 C ATOM 71 O LYS A 6 12.533 -29.458 1.992 1.00 0.00 O ATOM 72 CB LYS A 6 10.125 -29.207 4.093 1.00 0.00 C ATOM 73 CG LYS A 6 9.476 -28.082 4.901 1.00 0.00 C ATOM 74 CD LYS A 6 9.627 -28.375 6.395 1.00 0.00 C ATOM 75 CE LYS A 6 8.779 -27.385 7.196 1.00 0.00 C ATOM 76 NZ LYS A 6 9.653 -26.305 7.732 1.00 0.00 N ATOM 0 H LYS A 6 8.218 -28.857 2.502 1.00 0.00 H new ATOM 0 HA LYS A 6 10.735 -27.722 2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.490 -30.093 4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.077 -29.490 4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.944 -27.128 4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.421 -27.995 4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.313 -29.396 6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.674 -28.295 6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.002 -26.958 6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.275 -27.900 8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.069 -25.596 8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.335 -26.712 8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.166 -25.852 6.949 1.00 0.00 H new ATOM 90 N ASP A 7 10.845 -30.695 1.317 1.00 0.00 N ATOM 91 CA ASP A 7 11.751 -31.640 0.608 1.00 0.00 C ATOM 92 C ASP A 7 11.540 -31.487 -0.899 1.00 0.00 C ATOM 93 O ASP A 7 11.675 -32.426 -1.657 1.00 0.00 O ATOM 94 CB ASP A 7 11.422 -33.074 1.025 1.00 0.00 C ATOM 95 CG ASP A 7 9.977 -33.399 0.637 1.00 0.00 C ATOM 96 OD1 ASP A 7 9.376 -32.594 -0.055 1.00 0.00 O ATOM 97 OD2 ASP A 7 9.498 -34.446 1.037 1.00 0.00 O ATOM 0 H ASP A 7 9.852 -30.918 1.255 1.00 0.00 H new ATOM 0 HA ASP A 7 12.788 -31.421 0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.106 -33.771 0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.556 -33.191 2.100 1.00 0.00 H new ATOM 102 N TYR A 8 11.201 -30.304 -1.331 1.00 0.00 N ATOM 103 CA TYR A 8 10.970 -30.075 -2.782 1.00 0.00 C ATOM 104 C TYR A 8 12.311 -29.904 -3.496 1.00 0.00 C ATOM 105 O TYR A 8 13.242 -29.333 -2.962 1.00 0.00 O ATOM 106 CB TYR A 8 10.132 -28.808 -2.964 1.00 0.00 C ATOM 107 CG TYR A 8 9.216 -28.977 -4.150 1.00 0.00 C ATOM 108 CD1 TYR A 8 9.692 -28.729 -5.443 1.00 0.00 C ATOM 109 CD2 TYR A 8 7.889 -29.379 -3.956 1.00 0.00 C ATOM 110 CE1 TYR A 8 8.843 -28.884 -6.542 1.00 0.00 C ATOM 111 CE2 TYR A 8 7.038 -29.534 -5.058 1.00 0.00 C ATOM 112 CZ TYR A 8 7.515 -29.287 -6.351 1.00 0.00 C ATOM 113 OH TYR A 8 6.677 -29.438 -7.435 1.00 0.00 O ATOM 0 H TYR A 8 11.074 -29.484 -0.738 1.00 0.00 H new ATOM 0 HA TYR A 8 10.443 -30.930 -3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 8 9.548 -28.613 -2.065 1.00 0.00 H new ATOM 0 HB3 TYR A 8 10.783 -27.947 -3.114 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.716 -28.418 -5.591 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.522 -29.569 -2.958 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.211 -28.693 -7.539 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.014 -29.844 -4.910 1.00 0.00 H new ATOM 0 HH TYR A 8 6.201 -28.597 -7.600 1.00 0.00 H new ATOM 123 N ARG A 9 12.415 -30.391 -4.701 1.00 0.00 N ATOM 124 CA ARG A 9 13.693 -30.254 -5.451 1.00 0.00 C ATOM 125 C ARG A 9 13.388 -30.005 -6.927 1.00 0.00 C ATOM 126 O ARG A 9 12.833 -30.844 -7.608 1.00 0.00 O ATOM 127 CB ARG A 9 14.512 -31.536 -5.308 1.00 0.00 C ATOM 128 CG ARG A 9 15.447 -31.406 -4.108 1.00 0.00 C ATOM 129 CD ARG A 9 16.544 -32.465 -4.199 1.00 0.00 C ATOM 130 NE ARG A 9 16.994 -32.832 -2.826 1.00 0.00 N ATOM 131 CZ ARG A 9 17.222 -34.081 -2.526 1.00 0.00 C ATOM 132 NH1 ARG A 9 16.414 -34.718 -1.722 1.00 0.00 N ATOM 133 NH2 ARG A 9 18.259 -34.695 -3.028 1.00 0.00 N ATOM 0 H ARG A 9 11.670 -30.878 -5.198 1.00 0.00 H new ATOM 0 HA ARG A 9 14.263 -29.416 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.850 -32.392 -5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 9 15.089 -31.716 -6.215 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.889 -30.410 -4.085 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.886 -31.527 -3.182 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.171 -33.347 -4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.385 -32.085 -4.779 1.00 0.00 H new ATOM 0 HE ARG A 9 17.124 -32.106 -2.121 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.604 -34.239 -1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.593 -35.695 -1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.892 -34.198 -3.655 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.437 -35.672 -2.793 1.00 0.00 H new ATOM 147 N VAL A 10 13.745 -28.855 -7.425 1.00 0.00 N ATOM 148 CA VAL A 10 13.474 -28.547 -8.857 1.00 0.00 C ATOM 149 C VAL A 10 14.753 -28.036 -9.523 1.00 0.00 C ATOM 150 O VAL A 10 15.559 -27.365 -8.911 1.00 0.00 O ATOM 151 CB VAL A 10 12.385 -27.475 -8.948 1.00 0.00 C ATOM 152 CG1 VAL A 10 12.960 -26.122 -8.525 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.877 -27.384 -10.387 1.00 0.00 C ATOM 0 H VAL A 10 14.213 -28.114 -6.903 1.00 0.00 H new ATOM 0 HA VAL A 10 13.139 -29.451 -9.366 1.00 0.00 H new ATOM 0 HB VAL A 10 11.560 -27.741 -8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.183 -25.360 -8.590 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.321 -26.185 -7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.786 -25.856 -9.184 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.102 -26.621 -10.452 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.702 -27.120 -11.048 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.464 -28.347 -10.689 1.00 0.00 H new ATOM 163 N LEU A 11 14.944 -28.350 -10.775 1.00 0.00 N ATOM 164 CA LEU A 11 16.169 -27.883 -11.483 1.00 0.00 C ATOM 165 C LEU A 11 15.809 -26.715 -12.402 1.00 0.00 C ATOM 166 O LEU A 11 14.656 -26.366 -12.555 1.00 0.00 O ATOM 167 CB LEU A 11 16.739 -29.033 -12.318 1.00 0.00 C ATOM 168 CG LEU A 11 18.026 -29.545 -11.669 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.710 -30.772 -10.812 1.00 0.00 C ATOM 170 CD2 LEU A 11 19.028 -29.928 -12.760 1.00 0.00 C ATOM 0 H LEU A 11 14.304 -28.910 -11.338 1.00 0.00 H new ATOM 0 HA LEU A 11 16.912 -27.557 -10.755 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.010 -29.840 -12.391 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.941 -28.694 -13.334 1.00 0.00 H new ATOM 0 HG LEU A 11 18.454 -28.764 -11.041 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.626 -31.138 -10.349 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.995 -30.499 -10.036 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.283 -31.554 -11.440 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.946 -30.293 -12.299 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.601 -30.710 -13.388 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.252 -29.054 -13.371 1.00 0.00 H new ATOM 182 N PRO A 12 16.825 -26.102 -13.029 1.00 0.00 N ATOM 183 CA PRO A 12 16.624 -24.969 -13.942 1.00 0.00 C ATOM 184 C PRO A 12 15.899 -25.392 -15.222 1.00 0.00 C ATOM 185 O PRO A 12 15.248 -24.597 -15.871 1.00 0.00 O ATOM 186 CB PRO A 12 18.049 -24.518 -14.270 1.00 0.00 C ATOM 187 CG PRO A 12 18.883 -25.733 -14.047 1.00 0.00 C ATOM 188 CD PRO A 12 18.247 -26.464 -12.900 1.00 0.00 C ATOM 0 HA PRO A 12 16.007 -24.188 -13.497 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.127 -24.166 -15.298 1.00 0.00 H new ATOM 0 HB3 PRO A 12 18.364 -23.696 -13.627 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.911 -26.357 -14.940 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.913 -25.462 -13.815 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.398 -27.541 -12.973 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.659 -26.149 -11.941 1.00 0.00 H new ATOM 196 N ARG A 13 16.002 -26.640 -15.587 1.00 0.00 N ATOM 197 CA ARG A 13 15.315 -27.114 -16.822 1.00 0.00 C ATOM 198 C ARG A 13 13.927 -27.642 -16.456 1.00 0.00 C ATOM 199 O ARG A 13 13.002 -27.587 -17.242 1.00 0.00 O ATOM 200 CB ARG A 13 16.132 -28.237 -17.464 1.00 0.00 C ATOM 201 CG ARG A 13 17.419 -27.658 -18.056 1.00 0.00 C ATOM 202 CD ARG A 13 18.165 -28.754 -18.820 1.00 0.00 C ATOM 203 NE ARG A 13 19.561 -28.308 -19.090 1.00 0.00 N ATOM 204 CZ ARG A 13 20.547 -29.158 -19.000 1.00 0.00 C ATOM 205 NH1 ARG A 13 21.217 -29.264 -17.884 1.00 0.00 N ATOM 206 NH2 ARG A 13 20.864 -29.901 -20.025 1.00 0.00 N ATOM 0 H ARG A 13 16.532 -27.352 -15.084 1.00 0.00 H new ATOM 0 HA ARG A 13 15.220 -26.287 -17.526 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.371 -28.998 -16.721 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.548 -28.726 -18.244 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.184 -26.829 -18.724 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.050 -27.259 -17.262 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.172 -29.676 -18.239 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.653 -28.971 -19.758 1.00 0.00 H new ATOM 0 HE ARG A 13 19.746 -27.338 -19.345 1.00 0.00 H new ATOM 0 HH11 ARG A 13 20.969 -28.683 -17.083 1.00 0.00 H new ATOM 0 HH12 ARG A 13 21.988 -29.928 -17.813 1.00 0.00 H new ATOM 0 HH21 ARG A 13 20.341 -29.817 -20.897 1.00 0.00 H new ATOM 0 HH22 ARG A 13 21.635 -30.565 -19.954 1.00 0.00 H new ATOM 220 N ILE A 14 13.776 -28.156 -15.266 1.00 0.00 N ATOM 221 CA ILE A 14 12.450 -28.690 -14.846 1.00 0.00 C ATOM 222 C ILE A 14 11.557 -27.538 -14.383 1.00 0.00 C ATOM 223 O ILE A 14 10.373 -27.511 -14.653 1.00 0.00 O ATOM 224 CB ILE A 14 12.644 -29.678 -13.693 1.00 0.00 C ATOM 225 CG1 ILE A 14 13.528 -30.837 -14.157 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.283 -30.219 -13.250 1.00 0.00 C ATOM 227 CD1 ILE A 14 13.895 -31.712 -12.956 1.00 0.00 C ATOM 0 H ILE A 14 14.514 -28.229 -14.566 1.00 0.00 H new ATOM 0 HA ILE A 14 11.979 -29.197 -15.688 1.00 0.00 H new ATOM 0 HB ILE A 14 13.122 -29.170 -12.856 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.004 -31.431 -14.906 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.432 -30.452 -14.630 1.00 0.00 H new ATOM 0 HG21 ILE A 14 11.421 -30.923 -12.429 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.654 -29.393 -12.918 1.00 0.00 H new ATOM 0 HG23 ILE A 14 10.804 -30.727 -14.087 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.525 -32.538 -13.287 1.00 0.00 H new ATOM 0 HD12 ILE A 14 14.436 -31.114 -12.222 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.986 -32.108 -12.503 1.00 0.00 H new ATOM 239 N GLY A 15 12.112 -26.587 -13.683 1.00 0.00 N ATOM 240 CA GLY A 15 11.291 -25.441 -13.200 1.00 0.00 C ATOM 241 C GLY A 15 10.244 -25.954 -12.211 1.00 0.00 C ATOM 242 O GLY A 15 9.668 -27.007 -12.396 1.00 0.00 O ATOM 0 H GLY A 15 13.098 -26.554 -13.425 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.928 -24.698 -12.720 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.803 -24.948 -14.041 1.00 0.00 H new ATOM 246 N TYR A 16 9.991 -25.220 -11.159 1.00 0.00 N ATOM 247 CA TYR A 16 8.981 -25.674 -10.163 1.00 0.00 C ATOM 248 C TYR A 16 7.748 -26.205 -10.894 1.00 0.00 C ATOM 249 O TYR A 16 7.462 -25.819 -12.010 1.00 0.00 O ATOM 250 CB TYR A 16 8.578 -24.499 -9.269 1.00 0.00 C ATOM 251 CG TYR A 16 8.392 -24.990 -7.853 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.189 -25.596 -7.475 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.425 -24.840 -6.918 1.00 0.00 C ATOM 254 CE1 TYR A 16 7.017 -26.055 -6.164 1.00 0.00 C ATOM 255 CE2 TYR A 16 9.253 -25.298 -5.607 1.00 0.00 C ATOM 256 CZ TYR A 16 8.049 -25.906 -5.230 1.00 0.00 C ATOM 257 OH TYR A 16 7.879 -26.359 -3.938 1.00 0.00 O ATOM 0 H TYR A 16 10.440 -24.329 -10.948 1.00 0.00 H new ATOM 0 HA TYR A 16 9.409 -26.466 -9.548 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.344 -23.724 -9.300 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.655 -24.049 -9.634 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.392 -25.710 -8.195 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.353 -24.371 -7.209 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.089 -26.524 -5.873 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.049 -25.183 -4.886 1.00 0.00 H new ATOM 0 HH TYR A 16 8.190 -27.286 -3.873 1.00 0.00 H new ATOM 267 N LEU A 17 7.016 -27.095 -10.279 1.00 0.00 N ATOM 268 CA LEU A 17 5.807 -27.652 -10.948 1.00 0.00 C ATOM 269 C LEU A 17 4.560 -27.330 -10.120 1.00 0.00 C ATOM 270 O LEU A 17 4.487 -27.630 -8.944 1.00 0.00 O ATOM 271 CB LEU A 17 5.950 -29.169 -11.082 1.00 0.00 C ATOM 272 CG LEU A 17 4.772 -29.721 -11.887 1.00 0.00 C ATOM 273 CD1 LEU A 17 4.899 -29.279 -13.347 1.00 0.00 C ATOM 274 CD2 LEU A 17 4.777 -31.249 -11.816 1.00 0.00 C ATOM 0 H LEU A 17 7.203 -27.459 -9.345 1.00 0.00 H new ATOM 0 HA LEU A 17 5.708 -27.205 -11.937 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.890 -29.415 -11.577 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.979 -29.631 -10.095 1.00 0.00 H new ATOM 0 HG LEU A 17 3.839 -29.340 -11.472 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.060 -29.672 -13.921 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.896 -28.190 -13.399 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.832 -29.659 -13.762 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.938 -31.643 -12.389 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.710 -31.629 -12.231 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.686 -31.565 -10.777 1.00 0.00 H new ATOM 286 N CYS A 18 3.576 -26.728 -10.729 1.00 0.00 N ATOM 287 CA CYS A 18 2.327 -26.392 -9.989 1.00 0.00 C ATOM 288 C CYS A 18 1.124 -26.673 -10.890 1.00 0.00 C ATOM 289 O CYS A 18 1.236 -26.694 -12.099 1.00 0.00 O ATOM 290 CB CYS A 18 2.342 -24.912 -9.602 1.00 0.00 C ATOM 291 SG CYS A 18 3.811 -24.571 -8.601 1.00 0.00 S ATOM 0 H CYS A 18 3.583 -26.453 -11.711 1.00 0.00 H new ATOM 0 HA CYS A 18 2.261 -26.998 -9.085 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.345 -24.290 -10.497 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.441 -24.661 -9.043 1.00 0.00 H new ATOM 296 N PRO A 19 -0.049 -26.897 -10.284 1.00 0.00 N ATOM 297 CA PRO A 19 -1.280 -27.181 -11.028 1.00 0.00 C ATOM 298 C PRO A 19 -1.819 -25.931 -11.726 1.00 0.00 C ATOM 299 O PRO A 19 -1.403 -24.824 -11.447 1.00 0.00 O ATOM 300 CB PRO A 19 -2.257 -27.640 -9.949 1.00 0.00 C ATOM 301 CG PRO A 19 -1.759 -27.012 -8.690 1.00 0.00 C ATOM 302 CD PRO A 19 -0.265 -26.887 -8.827 1.00 0.00 C ATOM 0 HA PRO A 19 -1.121 -27.918 -11.815 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.274 -27.320 -10.175 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.275 -28.727 -9.868 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.216 -26.034 -8.539 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.018 -27.622 -7.825 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.104 -25.967 -8.373 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.253 -27.713 -8.339 1.00 0.00 H new ATOM 310 N LYS A 20 -2.741 -26.098 -12.632 1.00 0.00 N ATOM 311 CA LYS A 20 -3.303 -24.918 -13.346 1.00 0.00 C ATOM 312 C LYS A 20 -4.464 -24.339 -12.535 1.00 0.00 C ATOM 313 O LYS A 20 -4.847 -23.199 -12.705 1.00 0.00 O ATOM 314 CB LYS A 20 -3.805 -25.346 -14.726 1.00 0.00 C ATOM 315 CG LYS A 20 -2.633 -25.892 -15.543 1.00 0.00 C ATOM 316 CD LYS A 20 -3.123 -26.292 -16.935 1.00 0.00 C ATOM 317 CE LYS A 20 -1.952 -26.843 -17.751 1.00 0.00 C ATOM 318 NZ LYS A 20 -2.304 -28.188 -18.285 1.00 0.00 N ATOM 0 H LYS A 20 -3.130 -27.000 -12.909 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.528 -24.160 -13.463 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.578 -26.107 -14.624 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.258 -24.498 -15.240 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.850 -25.138 -15.624 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.195 -26.753 -15.039 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.908 -27.043 -16.853 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.558 -25.430 -17.440 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.717 -26.165 -18.571 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.061 -26.910 -17.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.507 -28.561 -18.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.508 -28.833 -17.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.143 -28.111 -18.894 1.00 0.00 H new ATOM 332 N ASP A 21 -5.026 -25.118 -11.651 1.00 0.00 N ATOM 333 CA ASP A 21 -6.159 -24.614 -10.828 1.00 0.00 C ATOM 334 C ASP A 21 -5.663 -23.502 -9.903 1.00 0.00 C ATOM 335 O ASP A 21 -4.759 -23.696 -9.114 1.00 0.00 O ATOM 336 CB ASP A 21 -6.725 -25.761 -9.987 1.00 0.00 C ATOM 337 CG ASP A 21 -7.195 -26.886 -10.910 1.00 0.00 C ATOM 338 OD1 ASP A 21 -7.293 -26.648 -12.103 1.00 0.00 O ATOM 339 OD2 ASP A 21 -7.449 -27.969 -10.409 1.00 0.00 O ATOM 0 H ASP A 21 -4.749 -26.082 -11.464 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.938 -24.222 -11.482 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.964 -26.133 -9.301 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.556 -25.404 -9.378 1.00 0.00 H new ATOM 344 N LEU A 22 -6.246 -22.338 -9.992 1.00 0.00 N ATOM 345 CA LEU A 22 -5.804 -21.217 -9.116 1.00 0.00 C ATOM 346 C LEU A 22 -6.473 -21.344 -7.746 1.00 0.00 C ATOM 347 O LEU A 22 -7.680 -21.442 -7.640 1.00 0.00 O ATOM 348 CB LEU A 22 -6.199 -19.882 -9.750 1.00 0.00 C ATOM 349 CG LEU A 22 -5.771 -18.737 -8.829 1.00 0.00 C ATOM 350 CD1 LEU A 22 -4.278 -18.864 -8.518 1.00 0.00 C ATOM 351 CD2 LEU A 22 -6.034 -17.397 -9.521 1.00 0.00 C ATOM 0 H LEU A 22 -7.008 -22.115 -10.632 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.721 -21.258 -8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.725 -19.776 -10.726 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.276 -19.849 -9.914 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.342 -18.785 -7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.972 -18.049 -7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.089 -19.817 -8.024 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.708 -18.816 -9.446 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.729 -16.582 -8.864 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.464 -17.348 -10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.097 -17.305 -9.744 1.00 0.00 H new ATOM 363 N LYS A 23 -5.698 -21.340 -6.698 1.00 0.00 N ATOM 364 CA LYS A 23 -6.288 -21.456 -5.334 1.00 0.00 C ATOM 365 C LYS A 23 -5.544 -20.513 -4.387 1.00 0.00 C ATOM 366 O LYS A 23 -4.464 -20.815 -3.922 1.00 0.00 O ATOM 367 CB LYS A 23 -6.152 -22.896 -4.839 1.00 0.00 C ATOM 368 CG LYS A 23 -7.396 -23.687 -5.238 1.00 0.00 C ATOM 369 CD LYS A 23 -8.010 -24.331 -3.994 1.00 0.00 C ATOM 370 CE LYS A 23 -7.642 -25.815 -3.953 1.00 0.00 C ATOM 371 NZ LYS A 23 -8.820 -26.631 -4.359 1.00 0.00 N ATOM 0 H LYS A 23 -4.681 -21.261 -6.726 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.344 -21.187 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.261 -23.357 -5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.030 -22.910 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.121 -23.028 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.134 -24.454 -5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.648 -23.831 -3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.094 -24.214 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.803 -26.011 -4.621 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.322 -26.094 -2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.570 -27.640 -4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.609 -26.452 -3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.106 -26.372 -5.325 1.00 0.00 H new ATOM 385 N PRO A 24 -6.139 -19.344 -4.105 1.00 0.00 N ATOM 386 CA PRO A 24 -5.538 -18.335 -3.222 1.00 0.00 C ATOM 387 C PRO A 24 -5.391 -18.836 -1.786 1.00 0.00 C ATOM 388 O PRO A 24 -6.358 -19.156 -1.127 1.00 0.00 O ATOM 389 CB PRO A 24 -6.535 -17.174 -3.280 1.00 0.00 C ATOM 390 CG PRO A 24 -7.824 -17.817 -3.659 1.00 0.00 C ATOM 391 CD PRO A 24 -7.454 -18.916 -4.612 1.00 0.00 C ATOM 0 HA PRO A 24 -4.530 -18.067 -3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.611 -16.666 -2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.233 -16.426 -4.013 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.339 -18.213 -2.783 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.498 -17.100 -4.128 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.180 -19.729 -4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.397 -18.560 -5.641 1.00 0.00 H new ATOM 399 N VAL A 25 -4.183 -18.905 -1.297 1.00 0.00 N ATOM 400 CA VAL A 25 -3.973 -19.382 0.098 1.00 0.00 C ATOM 401 C VAL A 25 -3.372 -18.259 0.940 1.00 0.00 C ATOM 402 O VAL A 25 -2.725 -17.364 0.433 1.00 0.00 O ATOM 403 CB VAL A 25 -3.011 -20.570 0.103 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.510 -21.645 -0.860 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.621 -20.101 -0.334 1.00 0.00 C ATOM 0 H VAL A 25 -3.334 -18.652 -1.803 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.934 -19.686 0.514 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.958 -20.985 1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.820 -22.489 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.499 -21.982 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.567 -21.233 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.934 -20.947 -0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.677 -19.683 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.261 -19.338 0.356 1.00 0.00 H new ATOM 415 N CYS A 26 -3.569 -18.308 2.228 1.00 0.00 N ATOM 416 CA CYS A 26 -2.997 -17.254 3.109 1.00 0.00 C ATOM 417 C CYS A 26 -1.662 -17.749 3.667 1.00 0.00 C ATOM 418 O CYS A 26 -1.546 -18.870 4.115 1.00 0.00 O ATOM 419 CB CYS A 26 -3.961 -16.968 4.264 1.00 0.00 C ATOM 420 SG CYS A 26 -3.337 -15.580 5.244 1.00 0.00 S ATOM 0 H CYS A 26 -4.102 -19.033 2.708 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.844 -16.338 2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.952 -16.735 3.875 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.065 -17.853 4.892 1.00 0.00 H new ATOM 425 N GLY A 27 -0.651 -16.928 3.636 1.00 0.00 N ATOM 426 CA GLY A 27 0.674 -17.358 4.161 1.00 0.00 C ATOM 427 C GLY A 27 0.760 -17.040 5.655 1.00 0.00 C ATOM 428 O GLY A 27 0.370 -15.977 6.096 1.00 0.00 O ATOM 0 H GLY A 27 -0.685 -15.977 3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.812 -18.427 3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.473 -16.847 3.623 1.00 0.00 H new ATOM 432 N ASP A 28 1.269 -17.952 6.438 1.00 0.00 N ATOM 433 CA ASP A 28 1.380 -17.698 7.903 1.00 0.00 C ATOM 434 C ASP A 28 2.396 -16.583 8.156 1.00 0.00 C ATOM 435 O ASP A 28 2.541 -16.102 9.262 1.00 0.00 O ATOM 436 CB ASP A 28 1.833 -18.978 8.609 1.00 0.00 C ATOM 437 CG ASP A 28 3.180 -19.425 8.040 1.00 0.00 C ATOM 438 OD1 ASP A 28 3.750 -18.677 7.262 1.00 0.00 O ATOM 439 OD2 ASP A 28 3.619 -20.508 8.390 1.00 0.00 O ATOM 0 H ASP A 28 1.612 -18.861 6.127 1.00 0.00 H new ATOM 0 HA ASP A 28 0.409 -17.393 8.293 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.919 -18.803 9.681 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.090 -19.764 8.473 1.00 0.00 H new ATOM 444 N ASP A 29 3.101 -16.165 7.139 1.00 0.00 N ATOM 445 CA ASP A 29 4.103 -15.078 7.324 1.00 0.00 C ATOM 446 C ASP A 29 3.420 -13.722 7.138 1.00 0.00 C ATOM 447 O ASP A 29 4.067 -12.697 7.047 1.00 0.00 O ATOM 448 CB ASP A 29 5.219 -15.230 6.286 1.00 0.00 C ATOM 449 CG ASP A 29 6.082 -16.443 6.637 1.00 0.00 C ATOM 450 OD1 ASP A 29 5.788 -17.089 7.629 1.00 0.00 O ATOM 451 OD2 ASP A 29 7.024 -16.705 5.907 1.00 0.00 O ATOM 0 H ASP A 29 3.026 -16.529 6.189 1.00 0.00 H new ATOM 0 HA ASP A 29 4.527 -15.141 8.326 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.790 -15.351 5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.832 -14.329 6.261 1.00 0.00 H new ATOM 456 N GLY A 30 2.117 -13.709 7.072 1.00 0.00 N ATOM 457 CA GLY A 30 1.394 -12.420 6.886 1.00 0.00 C ATOM 458 C GLY A 30 1.331 -12.091 5.393 1.00 0.00 C ATOM 459 O GLY A 30 1.159 -10.953 5.005 1.00 0.00 O ATOM 0 H GLY A 30 1.522 -14.535 7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.387 -12.491 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.904 -11.622 7.426 1.00 0.00 H new ATOM 463 N GLN A 31 1.470 -13.081 4.554 1.00 0.00 N ATOM 464 CA GLN A 31 1.418 -12.825 3.087 1.00 0.00 C ATOM 465 C GLN A 31 0.374 -13.739 2.444 1.00 0.00 C ATOM 466 O GLN A 31 -0.212 -14.581 3.092 1.00 0.00 O ATOM 467 CB GLN A 31 2.790 -13.109 2.473 1.00 0.00 C ATOM 468 CG GLN A 31 3.713 -11.911 2.703 1.00 0.00 C ATOM 469 CD GLN A 31 5.127 -12.265 2.237 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.361 -13.346 1.735 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.088 -11.393 2.383 1.00 0.00 N ATOM 0 H GLN A 31 1.617 -14.054 4.821 1.00 0.00 H new ATOM 0 HA GLN A 31 1.147 -11.784 2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.221 -14.004 2.920 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.689 -13.303 1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.344 -11.043 2.156 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.722 -11.642 3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.893 -10.485 2.804 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.034 -11.620 2.076 1.00 0.00 H new ATOM 480 N THR A 32 0.139 -13.578 1.171 1.00 0.00 N ATOM 481 CA THR A 32 -0.866 -14.435 0.480 1.00 0.00 C ATOM 482 C THR A 32 -0.293 -14.914 -0.855 1.00 0.00 C ATOM 483 O THR A 32 0.348 -14.168 -1.570 1.00 0.00 O ATOM 484 CB THR A 32 -2.137 -13.623 0.225 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.536 -12.981 1.429 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.250 -14.557 -0.252 1.00 0.00 C ATOM 0 H THR A 32 0.601 -12.888 0.578 1.00 0.00 H new ATOM 0 HA THR A 32 -1.103 -15.296 1.105 1.00 0.00 H new ATOM 0 HB THR A 32 -1.943 -12.871 -0.540 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.205 -13.492 2.197 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.156 -13.980 -0.434 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.942 -15.049 -1.174 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.446 -15.309 0.512 1.00 0.00 H new ATOM 494 N TYR A 33 -0.518 -16.152 -1.197 1.00 0.00 N ATOM 495 CA TYR A 33 0.010 -16.678 -2.485 1.00 0.00 C ATOM 496 C TYR A 33 -1.157 -17.105 -3.372 1.00 0.00 C ATOM 497 O TYR A 33 -1.998 -17.887 -2.973 1.00 0.00 O ATOM 498 CB TYR A 33 0.916 -17.880 -2.211 1.00 0.00 C ATOM 499 CG TYR A 33 2.010 -17.468 -1.256 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.762 -17.440 0.121 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.272 -17.111 -1.747 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.775 -17.057 1.008 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.284 -16.726 -0.861 1.00 0.00 C ATOM 504 CZ TYR A 33 4.036 -16.699 0.516 1.00 0.00 C ATOM 505 OH TYR A 33 5.034 -16.320 1.390 1.00 0.00 O ATOM 0 H TYR A 33 -1.046 -16.823 -0.639 1.00 0.00 H new ATOM 0 HA TYR A 33 0.585 -15.902 -2.991 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.335 -18.699 -1.787 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.348 -18.245 -3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.788 -17.714 0.500 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.464 -17.133 -2.810 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.584 -17.038 2.071 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.257 -16.450 -1.240 1.00 0.00 H new ATOM 0 HH TYR A 33 5.060 -15.342 1.453 1.00 0.00 H new ATOM 515 N ASN A 34 -1.223 -16.593 -4.568 1.00 0.00 N ATOM 516 CA ASN A 34 -2.346 -16.966 -5.473 1.00 0.00 C ATOM 517 C ASN A 34 -2.487 -18.488 -5.517 1.00 0.00 C ATOM 518 O ASN A 34 -3.356 -19.053 -4.891 1.00 0.00 O ATOM 519 CB ASN A 34 -2.085 -16.424 -6.882 1.00 0.00 C ATOM 520 CG ASN A 34 -1.469 -15.026 -6.786 1.00 0.00 C ATOM 521 OD1 ASN A 34 -1.870 -14.227 -5.965 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.502 -14.700 -7.598 1.00 0.00 N ATOM 0 H ASN A 34 -0.550 -15.934 -4.958 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.271 -16.531 -5.094 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.414 -17.092 -7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.017 -16.384 -7.446 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.081 -13.772 -7.544 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.166 -15.373 -8.287 1.00 0.00 H new ATOM 529 N ASN A 35 -1.645 -19.157 -6.248 1.00 0.00 N ATOM 530 CA ASN A 35 -1.742 -20.641 -6.324 1.00 0.00 C ATOM 531 C ASN A 35 -1.051 -21.263 -5.107 1.00 0.00 C ATOM 532 O ASN A 35 -0.066 -20.751 -4.616 1.00 0.00 O ATOM 533 CB ASN A 35 -1.069 -21.119 -7.613 1.00 0.00 C ATOM 534 CG ASN A 35 -0.977 -22.644 -7.623 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.302 -23.229 -6.801 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.632 -23.317 -8.530 1.00 0.00 N ATOM 0 H ASN A 35 -0.892 -18.742 -6.797 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.789 -20.946 -6.328 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.637 -20.776 -8.478 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.072 -20.686 -7.694 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.577 -24.335 -8.548 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.199 -22.824 -9.220 1.00 0.00 H new ATOM 543 N PRO A 36 -1.580 -22.396 -4.620 1.00 0.00 N ATOM 544 CA PRO A 36 -1.016 -23.104 -3.461 1.00 0.00 C ATOM 545 C PRO A 36 0.403 -23.602 -3.743 1.00 0.00 C ATOM 546 O PRO A 36 1.320 -23.336 -2.992 1.00 0.00 O ATOM 547 CB PRO A 36 -1.976 -24.280 -3.262 1.00 0.00 C ATOM 548 CG PRO A 36 -2.599 -24.471 -4.601 1.00 0.00 C ATOM 549 CD PRO A 36 -2.765 -23.086 -5.153 1.00 0.00 C ATOM 0 HA PRO A 36 -0.929 -22.465 -2.582 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.447 -25.176 -2.937 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.725 -24.059 -2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.967 -25.080 -5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.559 -24.982 -4.521 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.783 -23.081 -6.243 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.692 -22.622 -4.817 1.00 0.00 H new ATOM 557 N CYS A 37 0.602 -24.302 -4.827 1.00 0.00 N ATOM 558 CA CYS A 37 1.973 -24.780 -5.147 1.00 0.00 C ATOM 559 C CYS A 37 2.873 -23.556 -5.310 1.00 0.00 C ATOM 560 O CYS A 37 4.055 -23.593 -5.030 1.00 0.00 O ATOM 561 CB CYS A 37 1.949 -25.587 -6.449 1.00 0.00 C ATOM 562 SG CYS A 37 3.643 -25.840 -7.040 1.00 0.00 S ATOM 0 H CYS A 37 -0.121 -24.561 -5.499 1.00 0.00 H new ATOM 0 HA CYS A 37 2.348 -25.421 -4.349 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.464 -26.549 -6.283 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.365 -25.061 -7.204 1.00 0.00 H new ATOM 567 N MET A 38 2.308 -22.463 -5.747 1.00 0.00 N ATOM 568 CA MET A 38 3.111 -21.222 -5.918 1.00 0.00 C ATOM 569 C MET A 38 3.595 -20.752 -4.545 1.00 0.00 C ATOM 570 O MET A 38 4.465 -19.911 -4.434 1.00 0.00 O ATOM 571 CB MET A 38 2.239 -20.134 -6.552 1.00 0.00 C ATOM 572 CG MET A 38 2.482 -20.103 -8.061 1.00 0.00 C ATOM 573 SD MET A 38 1.462 -18.809 -8.809 1.00 0.00 S ATOM 574 CE MET A 38 2.672 -17.468 -8.684 1.00 0.00 C ATOM 0 H MET A 38 1.322 -22.378 -5.993 1.00 0.00 H new ATOM 0 HA MET A 38 3.966 -21.420 -6.564 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.187 -20.330 -6.346 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.474 -19.164 -6.115 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.536 -19.915 -8.267 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.240 -21.071 -8.499 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.245 -16.553 -9.096 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.931 -17.308 -7.637 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.569 -17.734 -9.243 1.00 0.00 H new ATOM 584 N LEU A 39 3.038 -21.297 -3.497 1.00 0.00 N ATOM 585 CA LEU A 39 3.460 -20.894 -2.128 1.00 0.00 C ATOM 586 C LEU A 39 4.881 -21.391 -1.877 1.00 0.00 C ATOM 587 O LEU A 39 5.755 -20.633 -1.508 1.00 0.00 O ATOM 588 CB LEU A 39 2.495 -21.502 -1.106 1.00 0.00 C ATOM 589 CG LEU A 39 3.046 -21.313 0.306 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.155 -19.820 0.621 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.102 -21.976 1.311 1.00 0.00 C ATOM 0 H LEU A 39 2.306 -22.007 -3.532 1.00 0.00 H new ATOM 0 HA LEU A 39 3.441 -19.808 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.517 -21.029 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.355 -22.563 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 39 4.034 -21.769 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.548 -19.689 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.826 -19.345 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.169 -19.361 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.493 -21.843 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.115 -21.518 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.024 -23.040 1.090 1.00 0.00 H new ATOM 603 N CYS A 40 5.131 -22.652 -2.095 1.00 0.00 N ATOM 604 CA CYS A 40 6.512 -23.163 -1.886 1.00 0.00 C ATOM 605 C CYS A 40 7.419 -22.523 -2.933 1.00 0.00 C ATOM 606 O CYS A 40 8.618 -22.420 -2.759 1.00 0.00 O ATOM 607 CB CYS A 40 6.539 -24.685 -2.034 1.00 0.00 C ATOM 608 SG CYS A 40 5.058 -25.397 -1.276 1.00 0.00 S ATOM 0 H CYS A 40 4.447 -23.343 -2.405 1.00 0.00 H new ATOM 0 HA CYS A 40 6.856 -22.911 -0.883 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.586 -24.957 -3.089 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.433 -25.090 -1.560 1.00 0.00 H new ATOM 613 N HIS A 41 6.845 -22.071 -4.015 1.00 0.00 N ATOM 614 CA HIS A 41 7.652 -21.413 -5.075 1.00 0.00 C ATOM 615 C HIS A 41 8.193 -20.097 -4.528 1.00 0.00 C ATOM 616 O HIS A 41 9.384 -19.857 -4.518 1.00 0.00 O ATOM 617 CB HIS A 41 6.761 -21.131 -6.283 1.00 0.00 C ATOM 618 CG HIS A 41 7.616 -20.839 -7.486 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.502 -21.769 -8.009 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.731 -19.726 -8.282 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.104 -21.203 -9.071 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.671 -19.958 -9.281 1.00 0.00 N ATOM 0 H HIS A 41 5.845 -22.131 -4.209 1.00 0.00 H new ATOM 0 HA HIS A 41 8.476 -22.060 -5.376 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.118 -21.989 -6.481 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.107 -20.284 -6.075 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.667 -22.711 -7.653 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.176 -18.809 -8.152 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.847 -21.696 -9.680 1.00 0.00 H new ATOM 630 N GLU A 42 7.324 -19.245 -4.055 1.00 0.00 N ATOM 631 CA GLU A 42 7.792 -17.953 -3.490 1.00 0.00 C ATOM 632 C GLU A 42 8.685 -18.252 -2.289 1.00 0.00 C ATOM 633 O GLU A 42 9.486 -17.437 -1.870 1.00 0.00 O ATOM 634 CB GLU A 42 6.586 -17.124 -3.045 1.00 0.00 C ATOM 635 CG GLU A 42 5.806 -16.660 -4.277 1.00 0.00 C ATOM 636 CD GLU A 42 6.725 -15.834 -5.179 1.00 0.00 C ATOM 637 OE1 GLU A 42 7.770 -15.420 -4.707 1.00 0.00 O ATOM 638 OE2 GLU A 42 6.367 -15.632 -6.328 1.00 0.00 O ATOM 0 H GLU A 42 6.314 -19.389 -4.037 1.00 0.00 H new ATOM 0 HA GLU A 42 8.349 -17.391 -4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.942 -17.718 -2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.917 -16.263 -2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.421 -17.521 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.945 -16.064 -3.973 1.00 0.00 H new ATOM 645 N ASN A 43 8.559 -19.429 -1.741 1.00 0.00 N ATOM 646 CA ASN A 43 9.403 -19.803 -0.572 1.00 0.00 C ATOM 647 C ASN A 43 10.781 -20.228 -1.077 1.00 0.00 C ATOM 648 O ASN A 43 11.792 -19.948 -0.465 1.00 0.00 O ATOM 649 CB ASN A 43 8.749 -20.959 0.184 1.00 0.00 C ATOM 650 CG ASN A 43 7.342 -20.545 0.621 1.00 0.00 C ATOM 651 OD1 ASN A 43 6.467 -21.464 0.916 1.00 0.00 O flip ATOM 652 ND2 ASN A 43 7.037 -19.371 0.692 1.00 0.00 N flip ATOM 0 H ASN A 43 7.907 -20.149 -2.053 1.00 0.00 H new ATOM 0 HA ASN A 43 9.504 -18.952 0.102 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.700 -21.843 -0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.349 -21.225 1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.722 -18.651 0.461 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.096 -19.105 0.983 1.00 0.00 H new ATOM 659 N LEU A 44 10.828 -20.893 -2.199 1.00 0.00 N ATOM 660 CA LEU A 44 12.142 -21.322 -2.751 1.00 0.00 C ATOM 661 C LEU A 44 13.040 -20.092 -2.881 1.00 0.00 C ATOM 662 O LEU A 44 14.238 -20.158 -2.688 1.00 0.00 O ATOM 663 CB LEU A 44 11.936 -21.961 -4.128 1.00 0.00 C ATOM 664 CG LEU A 44 13.284 -22.419 -4.688 1.00 0.00 C ATOM 665 CD1 LEU A 44 14.016 -23.259 -3.639 1.00 0.00 C ATOM 666 CD2 LEU A 44 13.056 -23.260 -5.945 1.00 0.00 C ATOM 0 H LEU A 44 10.015 -21.157 -2.755 1.00 0.00 H new ATOM 0 HA LEU A 44 12.606 -22.052 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.257 -22.810 -4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.473 -21.245 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 44 13.887 -21.546 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.976 -23.585 -4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.180 -22.660 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.413 -24.131 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.017 -23.586 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.452 -24.132 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.537 -22.662 -6.694 1.00 0.00 H new ATOM 678 N ILE A 45 12.462 -18.965 -3.198 1.00 0.00 N ATOM 679 CA ILE A 45 13.269 -17.721 -3.329 1.00 0.00 C ATOM 680 C ILE A 45 13.534 -17.152 -1.936 1.00 0.00 C ATOM 681 O ILE A 45 14.657 -16.863 -1.574 1.00 0.00 O ATOM 682 CB ILE A 45 12.497 -16.693 -4.159 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.819 -17.391 -5.338 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.465 -15.630 -4.684 1.00 0.00 C ATOM 685 CD1 ILE A 45 12.876 -18.113 -6.178 1.00 0.00 C ATOM 0 H ILE A 45 11.463 -18.853 -3.372 1.00 0.00 H new ATOM 0 HA ILE A 45 14.214 -17.947 -3.824 1.00 0.00 H new ATOM 0 HB ILE A 45 11.740 -16.219 -3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.078 -18.103 -4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.288 -16.662 -5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.915 -14.898 -5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.947 -15.130 -3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.223 -16.104 -5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.394 -18.611 -7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.601 -17.389 -6.551 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.387 -18.853 -5.562 1.00 0.00 H new ATOM 697 N ARG A 46 12.504 -16.996 -1.147 1.00 0.00 N ATOM 698 CA ARG A 46 12.695 -16.453 0.227 1.00 0.00 C ATOM 699 C ARG A 46 13.539 -17.432 1.043 1.00 0.00 C ATOM 700 O ARG A 46 14.197 -17.058 1.994 1.00 0.00 O ATOM 701 CB ARG A 46 11.333 -16.274 0.898 1.00 0.00 C ATOM 702 CG ARG A 46 10.481 -15.305 0.073 1.00 0.00 C ATOM 703 CD ARG A 46 9.098 -15.174 0.713 1.00 0.00 C ATOM 704 NE ARG A 46 9.244 -14.680 2.111 1.00 0.00 N ATOM 705 CZ ARG A 46 10.071 -13.705 2.373 1.00 0.00 C ATOM 706 NH1 ARG A 46 10.106 -12.654 1.600 1.00 0.00 N ATOM 707 NH2 ARG A 46 10.864 -13.781 3.407 1.00 0.00 N ATOM 0 H ARG A 46 11.541 -17.221 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 46 13.202 -15.489 0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.828 -17.236 0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.462 -15.891 1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.965 -14.330 0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.387 -15.667 -0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.481 -14.486 0.135 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.590 -16.138 0.708 1.00 0.00 H new ATOM 0 HE ARG A 46 8.699 -15.103 2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.487 -12.595 0.791 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.752 -11.892 1.805 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.838 -14.603 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.510 -13.019 3.611 1.00 0.00 H new ATOM 721 N GLN A 47 13.524 -18.685 0.678 1.00 0.00 N ATOM 722 CA GLN A 47 14.322 -19.693 1.430 1.00 0.00 C ATOM 723 C GLN A 47 13.807 -19.782 2.867 1.00 0.00 C ATOM 724 O GLN A 47 14.573 -19.866 3.807 1.00 0.00 O ATOM 725 CB GLN A 47 15.794 -19.276 1.435 1.00 0.00 C ATOM 726 CG GLN A 47 16.317 -19.246 -0.003 1.00 0.00 C ATOM 727 CD GLN A 47 17.797 -18.856 -0.002 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.314 -18.389 0.993 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.504 -19.029 -1.086 1.00 0.00 N ATOM 0 H GLN A 47 12.992 -19.054 -0.110 1.00 0.00 H new ATOM 0 HA GLN A 47 14.224 -20.667 0.951 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.904 -18.294 1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.380 -19.975 2.032 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.188 -20.223 -0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.743 -18.533 -0.595 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.069 -19.421 -1.921 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.491 -18.772 -1.098 1.00 0.00 H new ATOM 738 N THR A 48 12.515 -19.763 3.045 1.00 0.00 N ATOM 739 CA THR A 48 11.949 -19.848 4.421 1.00 0.00 C ATOM 740 C THR A 48 10.901 -20.960 4.474 1.00 0.00 C ATOM 741 O THR A 48 10.480 -21.479 3.458 1.00 0.00 O ATOM 742 CB THR A 48 11.297 -18.513 4.787 1.00 0.00 C ATOM 743 OG1 THR A 48 10.021 -18.426 4.167 1.00 0.00 O ATOM 744 CG2 THR A 48 12.181 -17.362 4.303 1.00 0.00 C ATOM 0 H THR A 48 11.826 -19.692 2.296 1.00 0.00 H new ATOM 0 HA THR A 48 12.747 -20.069 5.130 1.00 0.00 H new ATOM 0 HB THR A 48 11.181 -18.449 5.869 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.321 -18.467 4.852 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.716 -16.411 4.564 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.159 -17.430 4.778 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.298 -17.423 3.221 1.00 0.00 H new ATOM 752 N ASN A 49 10.478 -21.335 5.650 1.00 0.00 N ATOM 753 CA ASN A 49 9.459 -22.416 5.766 1.00 0.00 C ATOM 754 C ASN A 49 8.073 -21.795 5.949 1.00 0.00 C ATOM 755 O ASN A 49 7.421 -21.992 6.956 1.00 0.00 O ATOM 756 CB ASN A 49 9.787 -23.301 6.971 1.00 0.00 C ATOM 757 CG ASN A 49 9.629 -22.489 8.259 1.00 0.00 C ATOM 758 OD1 ASN A 49 9.554 -21.277 8.222 1.00 0.00 O ATOM 759 ND2 ASN A 49 9.575 -23.112 9.404 1.00 0.00 N ATOM 0 H ASN A 49 10.794 -20.940 6.536 1.00 0.00 H new ATOM 0 HA ASN A 49 9.468 -23.021 4.859 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.125 -24.167 6.991 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.806 -23.680 6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.470 -22.581 10.269 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.638 -24.130 9.434 1.00 0.00 H new ATOM 766 N THR A 50 7.616 -21.046 4.983 1.00 0.00 N ATOM 767 CA THR A 50 6.273 -20.411 5.099 1.00 0.00 C ATOM 768 C THR A 50 5.190 -21.461 4.845 1.00 0.00 C ATOM 769 O THR A 50 5.220 -22.170 3.859 1.00 0.00 O ATOM 770 CB THR A 50 6.143 -19.293 4.065 1.00 0.00 C ATOM 771 OG1 THR A 50 7.240 -18.398 4.198 1.00 0.00 O ATOM 772 CG2 THR A 50 4.833 -18.536 4.290 1.00 0.00 C ATOM 0 H THR A 50 8.116 -20.846 4.117 1.00 0.00 H new ATOM 0 HA THR A 50 6.155 -19.996 6.100 1.00 0.00 H new ATOM 0 HB THR A 50 6.143 -19.722 3.063 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.258 -18.036 5.109 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.742 -17.739 3.552 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.993 -19.223 4.187 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.829 -18.105 5.291 1.00 0.00 H new ATOM 780 N HIS A 51 4.231 -21.562 5.723 1.00 0.00 N ATOM 781 CA HIS A 51 3.146 -22.563 5.526 1.00 0.00 C ATOM 782 C HIS A 51 1.835 -21.837 5.225 1.00 0.00 C ATOM 783 O HIS A 51 1.751 -20.628 5.306 1.00 0.00 O ATOM 784 CB HIS A 51 2.985 -23.399 6.798 1.00 0.00 C ATOM 785 CG HIS A 51 4.306 -24.019 7.162 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.235 -23.368 7.959 1.00 0.00 N ATOM 787 CD2 HIS A 51 4.867 -25.232 6.847 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.296 -24.183 8.094 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.124 -25.333 7.436 1.00 0.00 N ATOM 0 H HIS A 51 4.152 -20.995 6.567 1.00 0.00 H new ATOM 0 HA HIS A 51 3.401 -23.217 4.692 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.628 -22.772 7.615 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.237 -24.176 6.643 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.132 -22.440 8.369 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.404 -25.992 6.235 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.179 -23.938 8.665 1.00 0.00 H new ATOM 797 N ILE A 52 0.811 -22.565 4.878 1.00 0.00 N ATOM 798 CA ILE A 52 -0.494 -21.915 4.574 1.00 0.00 C ATOM 799 C ILE A 52 -1.209 -21.584 5.884 1.00 0.00 C ATOM 800 O ILE A 52 -1.433 -22.440 6.717 1.00 0.00 O ATOM 801 CB ILE A 52 -1.361 -22.868 3.752 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.680 -23.148 2.411 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.727 -22.225 3.506 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.626 -23.959 1.526 1.00 0.00 C ATOM 0 H ILE A 52 0.821 -23.581 4.792 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.322 -21.000 4.007 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.491 -23.804 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.418 -22.211 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.249 -23.696 2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.348 -22.903 2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.212 -22.024 4.461 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.596 -21.290 2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.145 -24.161 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.866 -24.902 2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.543 -23.393 1.359 1.00 0.00 H new ATOM 816 N ARG A 53 -1.567 -20.347 6.070 1.00 0.00 N ATOM 817 CA ARG A 53 -2.267 -19.949 7.322 1.00 0.00 C ATOM 818 C ARG A 53 -3.741 -20.319 7.216 1.00 0.00 C ATOM 819 O ARG A 53 -4.334 -20.847 8.137 1.00 0.00 O ATOM 820 CB ARG A 53 -2.147 -18.437 7.508 1.00 0.00 C ATOM 821 CG ARG A 53 -2.822 -18.036 8.819 1.00 0.00 C ATOM 822 CD ARG A 53 -2.583 -16.549 9.083 1.00 0.00 C ATOM 823 NE ARG A 53 -3.168 -16.183 10.404 1.00 0.00 N ATOM 824 CZ ARG A 53 -2.524 -16.466 11.504 1.00 0.00 C ATOM 825 NH1 ARG A 53 -2.821 -17.546 12.174 1.00 0.00 N ATOM 826 NH2 ARG A 53 -1.584 -15.669 11.933 1.00 0.00 N ATOM 0 H ARG A 53 -1.405 -19.590 5.406 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.817 -20.464 8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.098 -18.142 7.521 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.614 -17.918 6.671 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.892 -18.239 8.766 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.424 -18.631 9.642 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.515 -16.333 9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.036 -15.950 8.293 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.071 -15.711 10.449 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.556 -18.169 11.838 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.318 -17.767 13.033 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.352 -14.825 11.409 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.081 -15.890 12.792 1.00 0.00 H new ATOM 840 N SER A 54 -4.338 -20.040 6.096 1.00 0.00 N ATOM 841 CA SER A 54 -5.777 -20.361 5.912 1.00 0.00 C ATOM 842 C SER A 54 -6.077 -20.477 4.417 1.00 0.00 C ATOM 843 O SER A 54 -5.354 -19.960 3.588 1.00 0.00 O ATOM 844 CB SER A 54 -6.625 -19.244 6.521 1.00 0.00 C ATOM 845 OG SER A 54 -6.905 -18.266 5.530 1.00 0.00 O ATOM 0 H SER A 54 -3.888 -19.600 5.293 1.00 0.00 H new ATOM 0 HA SER A 54 -6.013 -21.304 6.405 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.555 -19.653 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.097 -18.788 7.358 1.00 0.00 H new ATOM 0 HG SER A 54 -7.450 -17.551 5.921 1.00 0.00 H new ATOM 851 N THR A 55 -7.134 -21.151 4.065 1.00 0.00 N ATOM 852 CA THR A 55 -7.472 -21.299 2.622 1.00 0.00 C ATOM 853 C THR A 55 -8.093 -19.999 2.106 1.00 0.00 C ATOM 854 O THR A 55 -8.970 -19.428 2.722 1.00 0.00 O ATOM 855 CB THR A 55 -8.468 -22.447 2.445 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.737 -22.052 2.947 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.974 -23.677 3.209 1.00 0.00 C ATOM 0 H THR A 55 -7.778 -21.606 4.712 1.00 0.00 H new ATOM 0 HA THR A 55 -6.565 -21.516 2.058 1.00 0.00 H new ATOM 0 HB THR A 55 -8.556 -22.692 1.387 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.377 -22.786 2.833 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.684 -24.494 3.082 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.001 -23.979 2.822 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.884 -23.436 4.268 1.00 0.00 H new ATOM 865 N GLY A 56 -7.641 -19.529 0.977 1.00 0.00 N ATOM 866 CA GLY A 56 -8.199 -18.268 0.414 1.00 0.00 C ATOM 867 C GLY A 56 -7.250 -17.111 0.719 1.00 0.00 C ATOM 868 O GLY A 56 -6.386 -17.207 1.568 1.00 0.00 O ATOM 0 H GLY A 56 -6.907 -19.965 0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.335 -18.367 -0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.181 -18.069 0.842 1.00 0.00 H new ATOM 872 N LYS A 57 -7.408 -16.019 0.031 1.00 0.00 N ATOM 873 CA LYS A 57 -6.520 -14.849 0.274 1.00 0.00 C ATOM 874 C LYS A 57 -6.537 -14.497 1.762 1.00 0.00 C ATOM 875 O LYS A 57 -7.486 -14.780 2.466 1.00 0.00 O ATOM 876 CB LYS A 57 -7.015 -13.650 -0.538 1.00 0.00 C ATOM 877 CG LYS A 57 -6.199 -12.411 -0.161 1.00 0.00 C ATOM 878 CD LYS A 57 -6.715 -11.201 -0.941 1.00 0.00 C ATOM 879 CE LYS A 57 -5.641 -10.110 -0.961 1.00 0.00 C ATOM 880 NZ LYS A 57 -4.952 -10.117 -2.282 1.00 0.00 N ATOM 0 H LYS A 57 -8.115 -15.884 -0.692 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.503 -15.098 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.917 -13.853 -1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.073 -13.476 -0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.275 -12.225 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.145 -12.576 -0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.970 -11.494 -1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.627 -10.820 -0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.094 -9.135 -0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.920 -10.280 -0.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.222 -9.376 -2.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.507 -11.044 -2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.645 -9.935 -3.036 1.00 0.00 H new ATOM 894 N CYS A 58 -5.494 -13.882 2.247 1.00 0.00 N ATOM 895 CA CYS A 58 -5.453 -13.511 3.689 1.00 0.00 C ATOM 896 C CYS A 58 -6.542 -12.479 3.980 1.00 0.00 C ATOM 897 O CYS A 58 -6.877 -11.663 3.146 1.00 0.00 O ATOM 898 CB CYS A 58 -4.083 -12.916 4.022 1.00 0.00 C ATOM 899 SG CYS A 58 -2.815 -14.198 3.868 1.00 0.00 S ATOM 0 H CYS A 58 -4.669 -13.621 1.707 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.622 -14.398 4.299 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.861 -12.087 3.349 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.086 -12.512 5.035 1.00 0.00 H new ATOM 904 N GLU A 59 -7.099 -12.507 5.161 1.00 0.00 N ATOM 905 CA GLU A 59 -8.167 -11.526 5.503 1.00 0.00 C ATOM 906 C GLU A 59 -7.544 -10.141 5.688 1.00 0.00 C ATOM 907 O GLU A 59 -7.105 -9.573 4.701 1.00 0.00 O ATOM 908 CB GLU A 59 -8.853 -11.953 6.802 1.00 0.00 C ATOM 909 CG GLU A 59 -10.067 -11.057 7.056 1.00 0.00 C ATOM 910 CD GLU A 59 -10.692 -11.418 8.406 1.00 0.00 C ATOM 911 OE1 GLU A 59 -10.168 -12.305 9.060 1.00 0.00 O ATOM 912 OE2 GLU A 59 -11.683 -10.802 8.761 1.00 0.00 O ATOM 913 OXT GLU A 59 -7.516 -9.670 6.813 1.00 0.00 O ATOM 0 H GLU A 59 -6.861 -13.166 5.902 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.901 -11.491 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.164 -12.995 6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.154 -11.882 7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.767 -10.009 7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.799 -11.183 6.258 1.00 0.00 H new TER 920 GLU A 59