USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 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 43 ASN : amide:sc= -3.98! C(o=-5.6!,f=-10!) USER MOD Set 1.2: A 48 THR OG1 : rot 83:sc= -2.16! USER MOD Set 1.3: A 50 THR OG1 : rot 112:sc= 0.56 USER MOD Set 2.1: A 31 GLN : amide:sc= 1.02 K(o=1.8,f=-0.13!) USER MOD Set 2.2: A 33 TYR OH : rot -95:sc= 0.769 USER MOD Set 3.1: A 2 SER OG : rot -151:sc= 0.872 USER MOD Set 3.2: A 49 ASN : amide:sc= -1.95! C(o=-1.1!,f=-10!) USER MOD Single : A 1 ASP N :NH3+ -169:sc= 0.118 (180deg=0.115) USER MOD Single : A 4 MET CE :methyl 157:sc= -0.0575 (180deg=-0.628) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 30:sc= -4.49! USER MOD Single : A 16 TYR OH : rot -156:sc=-0.00242 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 180:sc= -0.0812 USER MOD Single : A 34 ASN : amide:sc= -0.305 X(o=-0.31,f=-0.32) USER MOD Single : A 35 ASN : amide:sc= -8! C(o=-8!,f=-20!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-4.5!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 51 HIS : no HD1:sc= -3.38! X(o=-3.4!,f=-2.9) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.137 -27.154 1.975 1.00 0.00 N ATOM 2 CA ASP A 1 1.956 -26.373 2.945 1.00 0.00 C ATOM 3 C ASP A 1 3.426 -26.766 2.803 1.00 0.00 C ATOM 4 O ASP A 1 3.762 -27.716 2.121 1.00 0.00 O ATOM 5 CB ASP A 1 1.489 -26.676 4.370 1.00 0.00 C ATOM 6 CG ASP A 1 0.016 -26.289 4.519 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.480 -25.581 3.660 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.590 -26.708 5.492 1.00 0.00 O ATOM 0 H1 ASP A 1 0.175 -26.761 1.937 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.571 -27.099 1.031 1.00 0.00 H new ATOM 0 H3 ASP A 1 1.093 -28.148 2.279 1.00 0.00 H new ATOM 0 HA ASP A 1 1.840 -25.309 2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.621 -27.735 4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 1 2.095 -26.123 5.088 1.00 0.00 H new ATOM 15 N SER A 2 4.305 -26.049 3.446 1.00 0.00 N ATOM 16 CA SER A 2 5.753 -26.383 3.354 1.00 0.00 C ATOM 17 C SER A 2 5.931 -27.895 3.489 1.00 0.00 C ATOM 18 O SER A 2 6.871 -28.469 2.976 1.00 0.00 O ATOM 19 CB SER A 2 6.506 -25.682 4.483 1.00 0.00 C ATOM 20 OG SER A 2 6.726 -24.323 4.135 1.00 0.00 O ATOM 0 H SER A 2 4.082 -25.245 4.032 1.00 0.00 H new ATOM 0 HA SER A 2 6.146 -26.052 2.392 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.934 -25.743 5.409 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.458 -26.181 4.664 1.00 0.00 H new ATOM 0 HG SER A 2 7.546 -24.003 4.567 1.00 0.00 H new ATOM 26 N GLU A 3 5.029 -28.544 4.173 1.00 0.00 N ATOM 27 CA GLU A 3 5.137 -30.018 4.337 1.00 0.00 C ATOM 28 C GLU A 3 5.374 -30.643 2.967 1.00 0.00 C ATOM 29 O GLU A 3 6.007 -31.672 2.839 1.00 0.00 O ATOM 30 CB GLU A 3 3.836 -30.560 4.932 1.00 0.00 C ATOM 31 CG GLU A 3 3.955 -30.611 6.457 1.00 0.00 C ATOM 32 CD GLU A 3 2.761 -31.371 7.037 1.00 0.00 C ATOM 33 OE1 GLU A 3 2.088 -32.048 6.277 1.00 0.00 O ATOM 34 OE2 GLU A 3 2.539 -31.263 8.231 1.00 0.00 O ATOM 0 H GLU A 3 4.222 -28.115 4.625 1.00 0.00 H new ATOM 0 HA GLU A 3 5.963 -30.262 5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.999 -29.925 4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.631 -31.556 4.539 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.885 -31.101 6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.989 -29.600 6.864 1.00 0.00 H new ATOM 41 N MET A 4 4.878 -30.012 1.938 1.00 0.00 N ATOM 42 CA MET A 4 5.080 -30.553 0.566 1.00 0.00 C ATOM 43 C MET A 4 6.519 -30.275 0.137 1.00 0.00 C ATOM 44 O MET A 4 7.095 -30.994 -0.655 1.00 0.00 O ATOM 45 CB MET A 4 4.110 -29.874 -0.404 1.00 0.00 C ATOM 46 CG MET A 4 2.672 -30.093 0.074 1.00 0.00 C ATOM 47 SD MET A 4 1.522 -29.359 -1.116 1.00 0.00 S ATOM 48 CE MET A 4 1.676 -30.628 -2.396 1.00 0.00 C ATOM 0 H MET A 4 4.342 -29.146 1.989 1.00 0.00 H new ATOM 0 HA MET A 4 4.892 -31.627 0.558 1.00 0.00 H new ATOM 0 HB2 MET A 4 4.326 -28.807 -0.464 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.237 -30.282 -1.407 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.471 -31.159 0.180 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.532 -29.643 1.057 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.788 -30.617 -3.028 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.558 -30.426 -3.004 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.775 -31.607 -1.928 1.00 0.00 H new ATOM 58 N CYS A 5 7.108 -29.237 0.669 1.00 0.00 N ATOM 59 CA CYS A 5 8.514 -28.911 0.310 1.00 0.00 C ATOM 60 C CYS A 5 9.455 -29.820 1.107 1.00 0.00 C ATOM 61 O CYS A 5 10.655 -29.811 0.914 1.00 0.00 O ATOM 62 CB CYS A 5 8.803 -27.448 0.656 1.00 0.00 C ATOM 63 SG CYS A 5 7.379 -26.432 0.215 1.00 0.00 S ATOM 0 H CYS A 5 6.673 -28.601 1.338 1.00 0.00 H new ATOM 0 HA CYS A 5 8.668 -29.066 -0.758 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.017 -27.350 1.720 1.00 0.00 H new ATOM 0 HB3 CYS A 5 9.688 -27.105 0.120 1.00 0.00 H new ATOM 68 N LYS A 6 8.920 -30.602 2.005 1.00 0.00 N ATOM 69 CA LYS A 6 9.786 -31.506 2.814 1.00 0.00 C ATOM 70 C LYS A 6 10.642 -32.371 1.886 1.00 0.00 C ATOM 71 O LYS A 6 11.748 -32.744 2.220 1.00 0.00 O ATOM 72 CB LYS A 6 8.910 -32.414 3.681 1.00 0.00 C ATOM 73 CG LYS A 6 8.425 -31.634 4.903 1.00 0.00 C ATOM 74 CD LYS A 6 7.901 -32.611 5.957 1.00 0.00 C ATOM 75 CE LYS A 6 7.171 -31.834 7.054 1.00 0.00 C ATOM 76 NZ LYS A 6 8.011 -31.802 8.284 1.00 0.00 N ATOM 0 H LYS A 6 7.923 -30.654 2.213 1.00 0.00 H new ATOM 0 HA LYS A 6 10.434 -30.904 3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.058 -32.775 3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.476 -33.291 3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.241 -31.040 5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.638 -30.937 4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.226 -33.332 5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.727 -33.177 6.386 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.962 -30.819 6.717 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.211 -32.303 7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.515 -31.274 9.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.189 -32.774 8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.917 -31.336 8.074 1.00 0.00 H new ATOM 90 N ASP A 7 10.139 -32.700 0.727 1.00 0.00 N ATOM 91 CA ASP A 7 10.933 -33.548 -0.208 1.00 0.00 C ATOM 92 C ASP A 7 10.636 -33.153 -1.656 1.00 0.00 C ATOM 93 O ASP A 7 10.058 -33.911 -2.409 1.00 0.00 O ATOM 94 CB ASP A 7 10.565 -35.019 0.001 1.00 0.00 C ATOM 95 CG ASP A 7 11.341 -35.885 -0.993 1.00 0.00 C ATOM 96 OD1 ASP A 7 12.221 -35.355 -1.649 1.00 0.00 O ATOM 97 OD2 ASP A 7 11.040 -37.065 -1.081 1.00 0.00 O ATOM 0 H ASP A 7 9.218 -32.420 0.388 1.00 0.00 H new ATOM 0 HA ASP A 7 11.994 -33.401 -0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.797 -35.322 1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.493 -35.160 -0.137 1.00 0.00 H new ATOM 102 N TYR A 8 11.037 -31.977 -2.057 1.00 0.00 N ATOM 103 CA TYR A 8 10.786 -31.548 -3.462 1.00 0.00 C ATOM 104 C TYR A 8 12.114 -31.140 -4.108 1.00 0.00 C ATOM 105 O TYR A 8 13.139 -31.090 -3.457 1.00 0.00 O ATOM 106 CB TYR A 8 9.801 -30.368 -3.478 1.00 0.00 C ATOM 107 CG TYR A 8 10.527 -29.076 -3.184 1.00 0.00 C ATOM 108 CD1 TYR A 8 11.041 -28.837 -1.905 1.00 0.00 C ATOM 109 CD2 TYR A 8 10.688 -28.120 -4.194 1.00 0.00 C ATOM 110 CE1 TYR A 8 11.715 -27.641 -1.634 1.00 0.00 C ATOM 111 CE2 TYR A 8 11.361 -26.923 -3.923 1.00 0.00 C ATOM 112 CZ TYR A 8 11.875 -26.684 -2.643 1.00 0.00 C ATOM 113 OH TYR A 8 12.539 -25.504 -2.377 1.00 0.00 O ATOM 0 H TYR A 8 11.526 -31.297 -1.475 1.00 0.00 H new ATOM 0 HA TYR A 8 10.350 -32.372 -4.026 1.00 0.00 H new ATOM 0 HB2 TYR A 8 9.313 -30.306 -4.451 1.00 0.00 H new ATOM 0 HB3 TYR A 8 9.017 -30.529 -2.738 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.918 -29.576 -1.127 1.00 0.00 H new ATOM 0 HD2 TYR A 8 10.293 -28.306 -5.182 1.00 0.00 H new ATOM 0 HE1 TYR A 8 12.112 -27.456 -0.647 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.484 -26.184 -4.701 1.00 0.00 H new ATOM 0 HH TYR A 8 13.212 -25.657 -1.681 1.00 0.00 H new ATOM 123 N ARG A 9 12.110 -30.852 -5.381 1.00 0.00 N ATOM 124 CA ARG A 9 13.379 -30.453 -6.053 1.00 0.00 C ATOM 125 C ARG A 9 13.091 -29.384 -7.109 1.00 0.00 C ATOM 126 O ARG A 9 12.045 -29.370 -7.727 1.00 0.00 O ATOM 127 CB ARG A 9 14.009 -31.677 -6.721 1.00 0.00 C ATOM 128 CG ARG A 9 14.620 -32.584 -5.650 1.00 0.00 C ATOM 129 CD ARG A 9 15.302 -33.779 -6.318 1.00 0.00 C ATOM 130 NE ARG A 9 15.545 -34.842 -5.303 1.00 0.00 N ATOM 131 CZ ARG A 9 15.921 -36.034 -5.680 1.00 0.00 C ATOM 132 NH1 ARG A 9 17.179 -36.372 -5.615 1.00 0.00 N ATOM 133 NH2 ARG A 9 15.038 -36.888 -6.121 1.00 0.00 N ATOM 0 H ARG A 9 11.287 -30.876 -5.983 1.00 0.00 H new ATOM 0 HA ARG A 9 14.068 -30.048 -5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.256 -32.223 -7.289 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.776 -31.364 -7.429 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.343 -32.026 -5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.845 -32.930 -4.967 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.676 -34.165 -7.123 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.245 -33.469 -6.768 1.00 0.00 H new ATOM 0 HE ARG A 9 15.417 -34.638 -4.312 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.869 -35.705 -5.270 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.473 -37.303 -5.910 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.054 -36.624 -6.171 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.332 -37.819 -6.416 1.00 0.00 H new ATOM 147 N VAL A 10 14.016 -28.488 -7.321 1.00 0.00 N ATOM 148 CA VAL A 10 13.804 -27.418 -8.336 1.00 0.00 C ATOM 149 C VAL A 10 15.136 -27.105 -9.020 1.00 0.00 C ATOM 150 O VAL A 10 16.152 -26.937 -8.375 1.00 0.00 O ATOM 151 CB VAL A 10 13.276 -26.159 -7.645 1.00 0.00 C ATOM 152 CG1 VAL A 10 13.258 -24.998 -8.642 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.856 -26.415 -7.136 1.00 0.00 C ATOM 0 H VAL A 10 14.911 -28.451 -6.834 1.00 0.00 H new ATOM 0 HA VAL A 10 13.080 -27.753 -9.079 1.00 0.00 H new ATOM 0 HB VAL A 10 13.924 -25.907 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.882 -24.101 -8.150 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.269 -24.815 -9.006 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.610 -25.250 -9.482 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.479 -25.519 -6.644 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.208 -26.667 -7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.868 -27.242 -6.426 1.00 0.00 H new ATOM 163 N LEU A 11 15.144 -27.029 -10.323 1.00 0.00 N ATOM 164 CA LEU A 11 16.414 -26.733 -11.044 1.00 0.00 C ATOM 165 C LEU A 11 16.213 -25.520 -11.956 1.00 0.00 C ATOM 166 O LEU A 11 15.109 -25.050 -12.142 1.00 0.00 O ATOM 167 CB LEU A 11 16.809 -27.946 -11.888 1.00 0.00 C ATOM 168 CG LEU A 11 17.847 -28.777 -11.131 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.131 -29.773 -10.218 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.720 -29.538 -12.131 1.00 0.00 C ATOM 0 H LEU A 11 14.326 -27.159 -10.919 1.00 0.00 H new ATOM 0 HA LEU A 11 17.202 -26.516 -10.323 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.930 -28.553 -12.106 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.216 -27.620 -12.845 1.00 0.00 H new ATOM 0 HG LEU A 11 18.474 -28.118 -10.531 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.869 -30.366 -9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.509 -29.231 -9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.505 -30.432 -10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.459 -30.130 -11.592 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.094 -30.198 -12.731 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.229 -28.828 -12.783 1.00 0.00 H new ATOM 182 N PRO A 12 17.310 -25.007 -12.535 1.00 0.00 N ATOM 183 CA PRO A 12 17.260 -23.846 -13.434 1.00 0.00 C ATOM 184 C PRO A 12 16.538 -24.181 -14.741 1.00 0.00 C ATOM 185 O PRO A 12 16.000 -23.318 -15.405 1.00 0.00 O ATOM 186 CB PRO A 12 18.733 -23.543 -13.707 1.00 0.00 C ATOM 187 CG PRO A 12 19.429 -24.842 -13.479 1.00 0.00 C ATOM 188 CD PRO A 12 18.682 -25.515 -12.364 1.00 0.00 C ATOM 0 HA PRO A 12 16.716 -23.008 -12.999 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.883 -23.186 -14.726 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.109 -22.768 -13.039 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.420 -25.454 -14.381 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.474 -24.684 -13.211 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.724 -26.601 -12.447 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.091 -25.254 -11.388 1.00 0.00 H new ATOM 196 N ARG A 13 16.518 -25.432 -15.110 1.00 0.00 N ATOM 197 CA ARG A 13 15.825 -25.829 -16.366 1.00 0.00 C ATOM 198 C ARG A 13 14.479 -26.463 -16.014 1.00 0.00 C ATOM 199 O ARG A 13 13.541 -26.424 -16.785 1.00 0.00 O ATOM 200 CB ARG A 13 16.683 -26.841 -17.127 1.00 0.00 C ATOM 201 CG ARG A 13 17.962 -26.160 -17.619 1.00 0.00 C ATOM 202 CD ARG A 13 18.754 -27.139 -18.487 1.00 0.00 C ATOM 203 NE ARG A 13 20.098 -26.571 -18.783 1.00 0.00 N ATOM 204 CZ ARG A 13 20.879 -27.162 -19.646 1.00 0.00 C ATOM 205 NH1 ARG A 13 20.766 -28.446 -19.855 1.00 0.00 N ATOM 206 NH2 ARG A 13 21.771 -26.472 -20.302 1.00 0.00 N ATOM 0 H ARG A 13 16.953 -26.197 -14.594 1.00 0.00 H new ATOM 0 HA ARG A 13 15.666 -24.951 -16.992 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.932 -27.682 -16.480 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.125 -27.244 -17.972 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.715 -25.266 -18.192 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.566 -25.838 -16.771 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.857 -28.095 -17.973 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.218 -27.333 -19.416 1.00 0.00 H new ATOM 0 HE ARG A 13 20.408 -25.721 -18.312 1.00 0.00 H new ATOM 0 HH11 ARG A 13 20.068 -28.986 -19.344 1.00 0.00 H new ATOM 0 HH12 ARG A 13 21.376 -28.909 -20.529 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.859 -25.469 -20.141 1.00 0.00 H new ATOM 0 HH22 ARG A 13 22.380 -26.936 -20.976 1.00 0.00 H new ATOM 220 N ILE A 14 14.376 -27.044 -14.850 1.00 0.00 N ATOM 221 CA ILE A 14 13.092 -27.677 -14.443 1.00 0.00 C ATOM 222 C ILE A 14 12.216 -26.636 -13.745 1.00 0.00 C ATOM 223 O ILE A 14 11.028 -26.549 -13.981 1.00 0.00 O ATOM 224 CB ILE A 14 13.373 -28.835 -13.482 1.00 0.00 C ATOM 225 CG1 ILE A 14 14.224 -29.891 -14.188 1.00 0.00 C ATOM 226 CG2 ILE A 14 12.050 -29.459 -13.036 1.00 0.00 C ATOM 227 CD1 ILE A 14 14.740 -30.902 -13.161 1.00 0.00 C ATOM 0 H ILE A 14 15.127 -27.107 -14.163 1.00 0.00 H new ATOM 0 HA ILE A 14 12.577 -28.057 -15.325 1.00 0.00 H new ATOM 0 HB ILE A 14 13.911 -28.461 -12.611 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.633 -30.400 -14.950 1.00 0.00 H new ATOM 0 HG13 ILE A 14 15.062 -29.416 -14.699 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.249 -30.284 -12.352 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.445 -28.706 -12.531 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.512 -29.832 -13.907 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.347 -31.655 -13.664 1.00 0.00 H new ATOM 0 HD12 ILE A 14 15.346 -30.387 -12.416 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.895 -31.386 -12.670 1.00 0.00 H new ATOM 239 N GLY A 15 12.797 -25.844 -12.884 1.00 0.00 N ATOM 240 CA GLY A 15 12.001 -24.806 -12.170 1.00 0.00 C ATOM 241 C GLY A 15 11.170 -25.468 -11.070 1.00 0.00 C ATOM 242 O GLY A 15 11.617 -26.384 -10.407 1.00 0.00 O ATOM 0 H GLY A 15 13.788 -25.872 -12.645 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.665 -24.057 -11.738 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.348 -24.287 -12.871 1.00 0.00 H new ATOM 246 N TYR A 16 9.965 -25.014 -10.869 1.00 0.00 N ATOM 247 CA TYR A 16 9.109 -25.619 -9.812 1.00 0.00 C ATOM 248 C TYR A 16 7.910 -26.313 -10.462 1.00 0.00 C ATOM 249 O TYR A 16 7.508 -25.978 -11.559 1.00 0.00 O ATOM 250 CB TYR A 16 8.618 -24.523 -8.864 1.00 0.00 C ATOM 251 CG TYR A 16 8.384 -25.116 -7.496 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.270 -25.931 -7.270 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.285 -24.855 -6.455 1.00 0.00 C ATOM 254 CE1 TYR A 16 7.053 -26.486 -6.003 1.00 0.00 C ATOM 255 CE2 TYR A 16 9.068 -25.412 -5.189 1.00 0.00 C ATOM 256 CZ TYR A 16 7.953 -26.226 -4.963 1.00 0.00 C ATOM 257 OH TYR A 16 7.740 -26.774 -3.715 1.00 0.00 O ATOM 0 H TYR A 16 9.536 -24.250 -11.391 1.00 0.00 H new ATOM 0 HA TYR A 16 9.688 -26.351 -9.249 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.354 -23.721 -8.804 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.696 -24.083 -9.245 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.577 -26.132 -8.073 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.145 -24.225 -6.629 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.192 -27.114 -5.828 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.762 -25.213 -4.386 1.00 0.00 H new ATOM 0 HH TYR A 16 8.190 -26.228 -3.037 1.00 0.00 H new ATOM 267 N LEU A 17 7.341 -27.282 -9.798 1.00 0.00 N ATOM 268 CA LEU A 17 6.174 -28.000 -10.385 1.00 0.00 C ATOM 269 C LEU A 17 4.911 -27.696 -9.575 1.00 0.00 C ATOM 270 O LEU A 17 4.860 -27.908 -8.380 1.00 0.00 O ATOM 271 CB LEU A 17 6.444 -29.506 -10.361 1.00 0.00 C ATOM 272 CG LEU A 17 5.325 -30.237 -11.106 1.00 0.00 C ATOM 273 CD1 LEU A 17 5.415 -29.919 -12.600 1.00 0.00 C ATOM 274 CD2 LEU A 17 5.474 -31.745 -10.895 1.00 0.00 C ATOM 0 H LEU A 17 7.633 -27.607 -8.876 1.00 0.00 H new ATOM 0 HA LEU A 17 6.027 -27.667 -11.413 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.406 -29.721 -10.826 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.501 -29.860 -9.332 1.00 0.00 H new ATOM 0 HG LEU A 17 4.358 -29.910 -10.723 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.618 -30.439 -13.131 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.310 -28.845 -12.750 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.381 -30.246 -12.984 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.677 -32.267 -11.425 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.440 -32.072 -11.279 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.410 -31.971 -9.831 1.00 0.00 H new ATOM 286 N CYS A 18 3.887 -27.209 -10.224 1.00 0.00 N ATOM 287 CA CYS A 18 2.619 -26.897 -9.503 1.00 0.00 C ATOM 288 C CYS A 18 1.434 -27.345 -10.360 1.00 0.00 C ATOM 289 O CYS A 18 1.541 -27.466 -11.565 1.00 0.00 O ATOM 290 CB CYS A 18 2.526 -25.390 -9.255 1.00 0.00 C ATOM 291 SG CYS A 18 3.945 -24.858 -8.267 1.00 0.00 S ATOM 0 H CYS A 18 3.874 -27.013 -11.225 1.00 0.00 H new ATOM 0 HA CYS A 18 2.603 -27.421 -8.547 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.508 -24.854 -10.204 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.597 -25.152 -8.736 1.00 0.00 H new ATOM 296 N PRO A 19 0.284 -27.595 -9.723 1.00 0.00 N ATOM 297 CA PRO A 19 -0.928 -28.031 -10.422 1.00 0.00 C ATOM 298 C PRO A 19 -1.556 -26.889 -11.224 1.00 0.00 C ATOM 299 O PRO A 19 -1.191 -25.740 -11.073 1.00 0.00 O ATOM 300 CB PRO A 19 -1.865 -28.449 -9.292 1.00 0.00 C ATOM 301 CG PRO A 19 -1.405 -27.668 -8.107 1.00 0.00 C ATOM 302 CD PRO A 19 0.077 -27.469 -8.270 1.00 0.00 C ATOM 0 HA PRO A 19 -0.724 -28.827 -11.138 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.903 -28.224 -9.535 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.807 -29.521 -9.106 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.921 -26.709 -8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.625 -28.202 -7.182 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.393 -26.493 -7.903 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.645 -28.217 -7.717 1.00 0.00 H new ATOM 310 N LYS A 20 -2.496 -27.192 -12.074 1.00 0.00 N ATOM 311 CA LYS A 20 -3.142 -26.119 -12.879 1.00 0.00 C ATOM 312 C LYS A 20 -4.274 -25.487 -12.067 1.00 0.00 C ATOM 313 O LYS A 20 -4.610 -24.332 -12.247 1.00 0.00 O ATOM 314 CB LYS A 20 -3.712 -26.716 -14.168 1.00 0.00 C ATOM 315 CG LYS A 20 -4.121 -25.585 -15.112 1.00 0.00 C ATOM 316 CD LYS A 20 -4.682 -26.175 -16.408 1.00 0.00 C ATOM 317 CE LYS A 20 -4.985 -25.043 -17.392 1.00 0.00 C ATOM 318 NZ LYS A 20 -4.319 -25.324 -18.695 1.00 0.00 N ATOM 0 H LYS A 20 -2.845 -28.135 -12.246 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.402 -25.358 -13.129 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.969 -27.354 -14.647 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.573 -27.345 -13.941 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.869 -24.952 -14.635 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.261 -24.952 -15.331 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.964 -26.869 -16.845 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.589 -26.743 -16.199 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.062 -24.950 -17.535 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.633 -24.093 -16.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.525 -24.554 -19.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.291 -25.392 -18.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.675 -26.222 -19.080 1.00 0.00 H new ATOM 332 N ASP A 21 -4.862 -26.232 -11.173 1.00 0.00 N ATOM 333 CA ASP A 21 -5.970 -25.674 -10.349 1.00 0.00 C ATOM 334 C ASP A 21 -5.457 -24.472 -9.554 1.00 0.00 C ATOM 335 O ASP A 21 -4.430 -24.537 -8.906 1.00 0.00 O ATOM 336 CB ASP A 21 -6.471 -26.746 -9.380 1.00 0.00 C ATOM 337 CG ASP A 21 -6.834 -28.011 -10.160 1.00 0.00 C ATOM 338 OD1 ASP A 21 -6.964 -27.920 -11.370 1.00 0.00 O ATOM 339 OD2 ASP A 21 -6.976 -29.048 -9.536 1.00 0.00 O ATOM 0 H ASP A 21 -4.623 -27.204 -10.977 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.786 -25.360 -11.000 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.702 -26.970 -8.640 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.341 -26.380 -8.835 1.00 0.00 H new ATOM 344 N LEU A 22 -6.163 -23.376 -9.593 1.00 0.00 N ATOM 345 CA LEU A 22 -5.713 -22.175 -8.834 1.00 0.00 C ATOM 346 C LEU A 22 -6.409 -22.141 -7.473 1.00 0.00 C ATOM 347 O LEU A 22 -7.618 -22.047 -7.385 1.00 0.00 O ATOM 348 CB LEU A 22 -6.068 -20.910 -9.619 1.00 0.00 C ATOM 349 CG LEU A 22 -5.653 -19.678 -8.812 1.00 0.00 C ATOM 350 CD1 LEU A 22 -4.144 -19.714 -8.568 1.00 0.00 C ATOM 351 CD2 LEU A 22 -6.012 -18.411 -9.593 1.00 0.00 C ATOM 0 H LEU A 22 -7.031 -23.260 -10.117 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.634 -22.222 -8.690 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.562 -20.914 -10.584 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.139 -20.882 -9.821 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.177 -19.677 -7.856 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.847 -18.837 -7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.887 -20.616 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.621 -19.715 -9.524 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.716 -17.533 -9.018 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.488 -18.412 -10.549 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.087 -18.384 -9.769 1.00 0.00 H new ATOM 363 N LYS A 23 -5.656 -22.216 -6.410 1.00 0.00 N ATOM 364 CA LYS A 23 -6.275 -22.186 -5.054 1.00 0.00 C ATOM 365 C LYS A 23 -5.585 -21.115 -4.208 1.00 0.00 C ATOM 366 O LYS A 23 -4.477 -21.298 -3.746 1.00 0.00 O ATOM 367 CB LYS A 23 -6.107 -23.552 -4.386 1.00 0.00 C ATOM 368 CG LYS A 23 -7.285 -24.447 -4.765 1.00 0.00 C ATOM 369 CD LYS A 23 -7.258 -25.712 -3.905 1.00 0.00 C ATOM 370 CE LYS A 23 -8.566 -25.822 -3.119 1.00 0.00 C ATOM 371 NZ LYS A 23 -8.389 -26.778 -1.991 1.00 0.00 N ATOM 0 H LYS A 23 -4.639 -22.297 -6.421 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.337 -21.955 -5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.170 -24.011 -4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.057 -23.437 -3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.224 -23.913 -4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.231 -24.711 -5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.125 -26.591 -4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.411 -25.681 -3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.857 -24.843 -2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.369 -26.161 -3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.278 -26.853 -1.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.130 -27.713 -2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.635 -26.437 -1.362 1.00 0.00 H new ATOM 385 N PRO A 24 -6.263 -19.975 -4.004 1.00 0.00 N ATOM 386 CA PRO A 24 -5.726 -18.855 -3.219 1.00 0.00 C ATOM 387 C PRO A 24 -5.522 -19.228 -1.751 1.00 0.00 C ATOM 388 O PRO A 24 -6.448 -19.597 -1.060 1.00 0.00 O ATOM 389 CB PRO A 24 -6.806 -17.779 -3.350 1.00 0.00 C ATOM 390 CG PRO A 24 -8.050 -18.542 -3.649 1.00 0.00 C ATOM 391 CD PRO A 24 -7.616 -19.690 -4.512 1.00 0.00 C ATOM 0 HA PRO A 24 -4.746 -18.538 -3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.905 -17.201 -2.431 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.570 -17.074 -4.147 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.523 -18.896 -2.733 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.780 -17.917 -4.164 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.278 -20.549 -4.408 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.605 -19.422 -5.569 1.00 0.00 H new ATOM 399 N VAL A 25 -4.313 -19.136 -1.270 1.00 0.00 N ATOM 400 CA VAL A 25 -4.054 -19.487 0.154 1.00 0.00 C ATOM 401 C VAL A 25 -3.498 -18.272 0.895 1.00 0.00 C ATOM 402 O VAL A 25 -2.923 -17.379 0.304 1.00 0.00 O ATOM 403 CB VAL A 25 -3.034 -20.624 0.226 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.491 -21.787 -0.655 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.674 -20.117 -0.262 1.00 0.00 C ATOM 0 H VAL A 25 -3.496 -18.834 -1.800 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.990 -19.801 0.617 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.949 -20.968 1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.761 -22.594 -0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.459 -22.149 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.580 -21.448 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.945 -20.926 -0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.763 -19.772 -1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.345 -19.292 0.370 1.00 0.00 H new ATOM 415 N CYS A 26 -3.655 -18.240 2.189 1.00 0.00 N ATOM 416 CA CYS A 26 -3.128 -17.095 2.981 1.00 0.00 C ATOM 417 C CYS A 26 -1.799 -17.505 3.620 1.00 0.00 C ATOM 418 O CYS A 26 -1.733 -18.461 4.360 1.00 0.00 O ATOM 419 CB CYS A 26 -4.129 -16.729 4.080 1.00 0.00 C ATOM 420 SG CYS A 26 -3.366 -15.558 5.231 1.00 0.00 S ATOM 0 H CYS A 26 -4.128 -18.961 2.734 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.977 -16.234 2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.024 -16.290 3.639 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.443 -17.626 4.613 1.00 0.00 H new ATOM 425 N GLY A 27 -0.741 -16.799 3.336 1.00 0.00 N ATOM 426 CA GLY A 27 0.577 -17.161 3.928 1.00 0.00 C ATOM 427 C GLY A 27 0.657 -16.647 5.367 1.00 0.00 C ATOM 428 O GLY A 27 0.264 -15.537 5.663 1.00 0.00 O ATOM 0 H GLY A 27 -0.732 -15.987 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.709 -18.243 3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.383 -16.732 3.333 1.00 0.00 H new ATOM 432 N ASP A 28 1.167 -17.448 6.266 1.00 0.00 N ATOM 433 CA ASP A 28 1.274 -17.005 7.686 1.00 0.00 C ATOM 434 C ASP A 28 2.314 -15.890 7.797 1.00 0.00 C ATOM 435 O ASP A 28 2.456 -15.261 8.828 1.00 0.00 O ATOM 436 CB ASP A 28 1.696 -18.188 8.559 1.00 0.00 C ATOM 437 CG ASP A 28 3.026 -18.748 8.052 1.00 0.00 C ATOM 438 OD1 ASP A 28 3.654 -18.088 7.241 1.00 0.00 O ATOM 439 OD2 ASP A 28 3.395 -19.829 8.483 1.00 0.00 O ATOM 0 H ASP A 28 1.513 -18.389 6.078 1.00 0.00 H new ATOM 0 HA ASP A 28 0.307 -16.632 8.024 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.795 -17.870 9.597 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.930 -18.963 8.535 1.00 0.00 H new ATOM 444 N ASP A 29 3.041 -15.634 6.744 1.00 0.00 N ATOM 445 CA ASP A 29 4.067 -14.555 6.794 1.00 0.00 C ATOM 446 C ASP A 29 3.394 -13.204 6.537 1.00 0.00 C ATOM 447 O ASP A 29 4.049 -12.193 6.381 1.00 0.00 O ATOM 448 CB ASP A 29 5.125 -14.809 5.719 1.00 0.00 C ATOM 449 CG ASP A 29 4.468 -14.775 4.338 1.00 0.00 C ATOM 450 OD1 ASP A 29 3.298 -14.435 4.269 1.00 0.00 O ATOM 451 OD2 ASP A 29 5.144 -15.090 3.372 1.00 0.00 O ATOM 0 H ASP A 29 2.969 -16.125 5.853 1.00 0.00 H new ATOM 0 HA ASP A 29 4.541 -14.546 7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.909 -14.054 5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.601 -15.776 5.883 1.00 0.00 H new ATOM 456 N GLY A 30 2.089 -13.180 6.490 1.00 0.00 N ATOM 457 CA GLY A 30 1.376 -11.897 6.241 1.00 0.00 C ATOM 458 C GLY A 30 1.259 -11.668 4.733 1.00 0.00 C ATOM 459 O GLY A 30 1.107 -10.554 4.273 1.00 0.00 O ATOM 0 H GLY A 30 1.487 -13.994 6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.385 -11.924 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.916 -11.072 6.705 1.00 0.00 H new ATOM 463 N GLN A 31 1.330 -12.717 3.958 1.00 0.00 N ATOM 464 CA GLN A 31 1.224 -12.561 2.480 1.00 0.00 C ATOM 465 C GLN A 31 0.259 -13.609 1.924 1.00 0.00 C ATOM 466 O GLN A 31 0.015 -14.630 2.536 1.00 0.00 O ATOM 467 CB GLN A 31 2.603 -12.757 1.846 1.00 0.00 C ATOM 468 CG GLN A 31 3.507 -11.577 2.205 1.00 0.00 C ATOM 469 CD GLN A 31 4.935 -11.866 1.735 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.229 -12.957 1.287 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.840 -10.929 1.817 1.00 0.00 N ATOM 0 H GLN A 31 1.457 -13.675 4.285 1.00 0.00 H new ATOM 0 HA GLN A 31 0.853 -11.563 2.247 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.047 -13.688 2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.508 -12.839 0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.136 -10.665 1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.494 -11.410 3.282 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.594 -10.013 2.193 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.794 -11.112 1.505 1.00 0.00 H new ATOM 480 N THR A 32 -0.288 -13.367 0.764 1.00 0.00 N ATOM 481 CA THR A 32 -1.233 -14.351 0.164 1.00 0.00 C ATOM 482 C THR A 32 -0.637 -14.894 -1.134 1.00 0.00 C ATOM 483 O THR A 32 0.012 -14.183 -1.876 1.00 0.00 O ATOM 484 CB THR A 32 -2.564 -13.662 -0.140 1.00 0.00 C ATOM 485 OG1 THR A 32 -3.054 -13.039 1.040 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.575 -14.700 -0.630 1.00 0.00 C ATOM 0 H THR A 32 -0.121 -12.530 0.206 1.00 0.00 H new ATOM 0 HA THR A 32 -1.400 -15.170 0.864 1.00 0.00 H new ATOM 0 HB THR A 32 -2.416 -12.908 -0.913 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.906 -12.596 0.846 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.524 -14.210 -0.847 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.198 -15.177 -1.535 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.725 -15.455 0.142 1.00 0.00 H new ATOM 494 N TYR A 33 -0.851 -16.148 -1.415 1.00 0.00 N ATOM 495 CA TYR A 33 -0.297 -16.733 -2.665 1.00 0.00 C ATOM 496 C TYR A 33 -1.440 -17.310 -3.500 1.00 0.00 C ATOM 497 O TYR A 33 -2.246 -18.080 -3.018 1.00 0.00 O ATOM 498 CB TYR A 33 0.701 -17.835 -2.308 1.00 0.00 C ATOM 499 CG TYR A 33 1.807 -17.241 -1.468 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.648 -17.124 -0.082 1.00 0.00 C ATOM 501 CD2 TYR A 33 2.988 -16.799 -2.076 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.671 -16.568 0.696 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.009 -16.241 -1.298 1.00 0.00 C ATOM 504 CZ TYR A 33 3.852 -16.125 0.087 1.00 0.00 C ATOM 505 OH TYR A 33 4.858 -15.574 0.853 1.00 0.00 O ATOM 0 H TYR A 33 -1.386 -16.793 -0.833 1.00 0.00 H new ATOM 0 HA TYR A 33 0.214 -15.962 -3.242 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.200 -18.634 -1.761 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.113 -18.278 -3.215 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.736 -17.463 0.387 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.111 -16.889 -3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.549 -16.481 1.766 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.919 -15.899 -1.768 1.00 0.00 H new ATOM 0 HH TYR A 33 4.773 -14.598 0.852 1.00 0.00 H new ATOM 515 N ASN A 34 -1.523 -16.933 -4.746 1.00 0.00 N ATOM 516 CA ASN A 34 -2.623 -17.448 -5.607 1.00 0.00 C ATOM 517 C ASN A 34 -2.677 -18.976 -5.527 1.00 0.00 C ATOM 518 O ASN A 34 -3.497 -19.535 -4.834 1.00 0.00 O ATOM 519 CB ASN A 34 -2.395 -17.006 -7.056 1.00 0.00 C ATOM 520 CG ASN A 34 -1.911 -15.556 -7.073 1.00 0.00 C ATOM 521 OD1 ASN A 34 -2.490 -14.701 -6.433 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.866 -15.241 -7.788 1.00 0.00 N ATOM 0 H ASN A 34 -0.877 -16.291 -5.204 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.572 -17.043 -5.256 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.659 -17.653 -7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.319 -17.099 -7.626 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.535 -14.276 -7.810 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.380 -15.959 -8.325 1.00 0.00 H new ATOM 529 N ASN A 35 -1.820 -19.656 -6.229 1.00 0.00 N ATOM 530 CA ASN A 35 -1.837 -21.145 -6.185 1.00 0.00 C ATOM 531 C ASN A 35 -1.083 -21.634 -4.946 1.00 0.00 C ATOM 532 O ASN A 35 -0.119 -21.030 -4.519 1.00 0.00 O ATOM 533 CB ASN A 35 -1.174 -21.686 -7.456 1.00 0.00 C ATOM 534 CG ASN A 35 -0.998 -23.201 -7.357 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.373 -23.693 -6.441 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.527 -23.967 -8.273 1.00 0.00 N ATOM 0 H ASN A 35 -1.107 -19.247 -6.833 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.865 -21.504 -6.131 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.783 -21.440 -8.326 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.205 -21.209 -7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.415 -24.979 -8.218 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.052 -23.553 -9.043 1.00 0.00 H new ATOM 543 N PRO A 36 -1.530 -22.758 -4.362 1.00 0.00 N ATOM 544 CA PRO A 36 -0.897 -23.343 -3.171 1.00 0.00 C ATOM 545 C PRO A 36 0.543 -23.777 -3.452 1.00 0.00 C ATOM 546 O PRO A 36 1.458 -23.398 -2.748 1.00 0.00 O ATOM 547 CB PRO A 36 -1.778 -24.554 -2.857 1.00 0.00 C ATOM 548 CG PRO A 36 -2.421 -24.882 -4.159 1.00 0.00 C ATOM 549 CD PRO A 36 -2.683 -23.556 -4.809 1.00 0.00 C ATOM 0 HA PRO A 36 -0.829 -22.634 -2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.188 -25.390 -2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.520 -24.320 -2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.770 -25.502 -4.775 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.346 -25.439 -4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.726 -23.636 -5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.629 -23.123 -4.484 1.00 0.00 H new ATOM 557 N CYS A 37 0.763 -24.546 -4.484 1.00 0.00 N ATOM 558 CA CYS A 37 2.155 -24.958 -4.797 1.00 0.00 C ATOM 559 C CYS A 37 2.969 -23.692 -5.055 1.00 0.00 C ATOM 560 O CYS A 37 4.147 -23.623 -4.765 1.00 0.00 O ATOM 561 CB CYS A 37 2.166 -25.852 -6.039 1.00 0.00 C ATOM 562 SG CYS A 37 3.866 -26.041 -6.634 1.00 0.00 S ATOM 0 H CYS A 37 0.046 -24.902 -5.116 1.00 0.00 H new ATOM 0 HA CYS A 37 2.583 -25.521 -3.967 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.742 -26.828 -5.801 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.543 -25.416 -6.820 1.00 0.00 H new ATOM 567 N MET A 38 2.333 -22.678 -5.582 1.00 0.00 N ATOM 568 CA MET A 38 3.051 -21.402 -5.843 1.00 0.00 C ATOM 569 C MET A 38 3.570 -20.857 -4.512 1.00 0.00 C ATOM 570 O MET A 38 4.450 -20.021 -4.467 1.00 0.00 O ATOM 571 CB MET A 38 2.089 -20.392 -6.476 1.00 0.00 C ATOM 572 CG MET A 38 2.286 -20.386 -7.994 1.00 0.00 C ATOM 573 SD MET A 38 1.178 -19.169 -8.745 1.00 0.00 S ATOM 574 CE MET A 38 0.887 -20.056 -10.295 1.00 0.00 C ATOM 0 H MET A 38 1.347 -22.682 -5.842 1.00 0.00 H new ATOM 0 HA MET A 38 3.883 -21.572 -6.526 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.059 -20.652 -6.233 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.270 -19.397 -6.071 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.322 -20.147 -8.235 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.084 -21.377 -8.401 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.215 -19.475 -10.926 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.835 -20.204 -10.813 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.436 -21.025 -10.081 1.00 0.00 H new ATOM 584 N LEU A 39 3.033 -21.340 -3.422 1.00 0.00 N ATOM 585 CA LEU A 39 3.497 -20.870 -2.088 1.00 0.00 C ATOM 586 C LEU A 39 4.926 -21.357 -1.874 1.00 0.00 C ATOM 587 O LEU A 39 5.827 -20.582 -1.621 1.00 0.00 O ATOM 588 CB LEU A 39 2.581 -21.442 -1.002 1.00 0.00 C ATOM 589 CG LEU A 39 3.116 -21.056 0.378 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.115 -19.532 0.518 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.222 -21.667 1.460 1.00 0.00 C ATOM 0 H LEU A 39 2.292 -22.041 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 39 3.467 -19.782 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.568 -21.061 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.528 -22.527 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 39 4.133 -21.431 0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.496 -19.257 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.750 -19.095 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.098 -19.157 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.602 -21.393 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.205 -21.292 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.221 -22.753 1.361 1.00 0.00 H new ATOM 603 N CYS A 40 5.148 -22.637 -2.002 1.00 0.00 N ATOM 604 CA CYS A 40 6.527 -23.166 -1.834 1.00 0.00 C ATOM 605 C CYS A 40 7.431 -22.471 -2.850 1.00 0.00 C ATOM 606 O CYS A 40 8.614 -22.297 -2.634 1.00 0.00 O ATOM 607 CB CYS A 40 6.533 -24.673 -2.077 1.00 0.00 C ATOM 608 SG CYS A 40 8.036 -25.381 -1.374 1.00 0.00 S ATOM 0 H CYS A 40 4.436 -23.335 -2.215 1.00 0.00 H new ATOM 0 HA CYS A 40 6.885 -22.976 -0.822 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.654 -25.130 -1.622 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.484 -24.881 -3.146 1.00 0.00 H new ATOM 613 N HIS A 41 6.870 -22.051 -3.953 1.00 0.00 N ATOM 614 CA HIS A 41 7.680 -21.345 -4.982 1.00 0.00 C ATOM 615 C HIS A 41 8.225 -20.060 -4.366 1.00 0.00 C ATOM 616 O HIS A 41 9.420 -19.855 -4.285 1.00 0.00 O ATOM 617 CB HIS A 41 6.794 -20.999 -6.179 1.00 0.00 C ATOM 618 CG HIS A 41 7.653 -20.719 -7.382 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.543 -21.654 -7.888 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.767 -19.616 -8.192 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.148 -21.101 -8.956 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.712 -19.859 -9.185 1.00 0.00 N ATOM 0 H HIS A 41 5.883 -22.168 -4.184 1.00 0.00 H new ATOM 0 HA HIS A 41 8.500 -21.980 -5.316 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.113 -21.824 -6.390 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.179 -20.129 -5.949 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.208 -18.699 -8.076 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.895 -21.601 -9.555 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.008 -19.225 -9.928 1.00 0.00 H new ATOM 630 N GLU A 42 7.356 -19.200 -3.911 1.00 0.00 N ATOM 631 CA GLU A 42 7.827 -17.939 -3.280 1.00 0.00 C ATOM 632 C GLU A 42 8.696 -18.303 -2.080 1.00 0.00 C ATOM 633 O GLU A 42 9.509 -17.525 -1.625 1.00 0.00 O ATOM 634 CB GLU A 42 6.624 -17.116 -2.818 1.00 0.00 C ATOM 635 CG GLU A 42 5.771 -16.739 -4.030 1.00 0.00 C ATOM 636 CD GLU A 42 6.595 -15.875 -4.987 1.00 0.00 C ATOM 637 OE1 GLU A 42 7.630 -15.383 -4.567 1.00 0.00 O ATOM 638 OE2 GLU A 42 6.177 -15.720 -6.123 1.00 0.00 O ATOM 0 H GLU A 42 6.343 -19.317 -3.949 1.00 0.00 H new ATOM 0 HA GLU A 42 8.401 -17.349 -3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.030 -17.688 -2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.961 -16.217 -2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.428 -17.639 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.882 -16.197 -3.708 1.00 0.00 H new ATOM 645 N ASN A 43 8.536 -19.497 -1.574 1.00 0.00 N ATOM 646 CA ASN A 43 9.358 -19.932 -0.413 1.00 0.00 C ATOM 647 C ASN A 43 10.732 -20.364 -0.923 1.00 0.00 C ATOM 648 O ASN A 43 11.731 -20.231 -0.245 1.00 0.00 O ATOM 649 CB ASN A 43 8.677 -21.111 0.286 1.00 0.00 C ATOM 650 CG ASN A 43 7.380 -20.636 0.947 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.236 -19.472 1.262 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.423 -21.496 1.169 1.00 0.00 N ATOM 0 H ASN A 43 7.870 -20.189 -1.917 1.00 0.00 H new ATOM 0 HA ASN A 43 9.464 -19.111 0.296 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.462 -21.900 -0.435 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.344 -21.537 1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.554 -21.190 1.607 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.544 -22.474 0.904 1.00 0.00 H new ATOM 659 N LEU A 44 10.785 -20.874 -2.123 1.00 0.00 N ATOM 660 CA LEU A 44 12.089 -21.309 -2.694 1.00 0.00 C ATOM 661 C LEU A 44 13.023 -20.101 -2.783 1.00 0.00 C ATOM 662 O LEU A 44 14.200 -20.191 -2.496 1.00 0.00 O ATOM 663 CB LEU A 44 11.862 -21.885 -4.094 1.00 0.00 C ATOM 664 CG LEU A 44 13.185 -22.419 -4.648 1.00 0.00 C ATOM 665 CD1 LEU A 44 13.592 -23.674 -3.874 1.00 0.00 C ATOM 666 CD2 LEU A 44 13.013 -22.767 -6.129 1.00 0.00 C ATOM 0 H LEU A 44 9.979 -21.008 -2.733 1.00 0.00 H new ATOM 0 HA LEU A 44 12.536 -22.072 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.123 -22.685 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.463 -21.116 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 44 13.958 -21.659 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.534 -24.055 -4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.713 -23.428 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.819 -24.435 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.955 -23.147 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.240 -23.528 -6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.722 -21.874 -6.681 1.00 0.00 H new ATOM 678 N ILE A 45 12.503 -18.970 -3.173 1.00 0.00 N ATOM 679 CA ILE A 45 13.355 -17.752 -3.276 1.00 0.00 C ATOM 680 C ILE A 45 13.531 -17.139 -1.887 1.00 0.00 C ATOM 681 O ILE A 45 14.625 -16.803 -1.479 1.00 0.00 O ATOM 682 CB ILE A 45 12.687 -16.730 -4.199 1.00 0.00 C ATOM 683 CG1 ILE A 45 12.021 -17.450 -5.373 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.743 -15.761 -4.732 1.00 0.00 C ATOM 685 CD1 ILE A 45 11.460 -16.416 -6.353 1.00 0.00 C ATOM 0 H ILE A 45 11.524 -18.837 -3.425 1.00 0.00 H new ATOM 0 HA ILE A 45 14.328 -18.026 -3.684 1.00 0.00 H new ATOM 0 HB ILE A 45 11.932 -16.179 -3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.744 -18.091 -5.878 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.221 -18.096 -5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.269 -15.032 -5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.216 -15.243 -3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.498 -16.316 -5.289 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.985 -16.928 -7.190 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.724 -15.794 -5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.271 -15.789 -6.724 1.00 0.00 H new ATOM 697 N ARG A 46 12.459 -16.989 -1.157 1.00 0.00 N ATOM 698 CA ARG A 46 12.557 -16.396 0.206 1.00 0.00 C ATOM 699 C ARG A 46 13.313 -17.354 1.126 1.00 0.00 C ATOM 700 O ARG A 46 14.165 -16.952 1.895 1.00 0.00 O ATOM 701 CB ARG A 46 11.149 -16.162 0.755 1.00 0.00 C ATOM 702 CG ARG A 46 11.219 -15.225 1.961 1.00 0.00 C ATOM 703 CD ARG A 46 9.823 -15.073 2.567 1.00 0.00 C ATOM 704 NE ARG A 46 8.956 -14.302 1.632 1.00 0.00 N ATOM 705 CZ ARG A 46 8.781 -13.022 1.811 1.00 0.00 C ATOM 706 NH1 ARG A 46 8.336 -12.579 2.955 1.00 0.00 N ATOM 707 NH2 ARG A 46 9.048 -12.185 0.846 1.00 0.00 N ATOM 0 H ARG A 46 11.517 -17.253 -1.447 1.00 0.00 H new ATOM 0 HA ARG A 46 13.092 -15.448 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.513 -15.730 -0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.698 -17.111 1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.909 -15.623 2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.604 -14.251 1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.389 -16.055 2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.886 -14.561 3.527 1.00 0.00 H new ATOM 0 HE ARG A 46 8.499 -14.775 0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.125 -13.234 3.708 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.199 -11.578 3.096 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.394 -12.532 -0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.911 -11.184 0.987 1.00 0.00 H new ATOM 721 N GLN A 47 13.007 -18.618 1.053 1.00 0.00 N ATOM 722 CA GLN A 47 13.701 -19.615 1.918 1.00 0.00 C ATOM 723 C GLN A 47 13.345 -19.358 3.384 1.00 0.00 C ATOM 724 O GLN A 47 14.202 -19.329 4.245 1.00 0.00 O ATOM 725 CB GLN A 47 15.215 -19.493 1.732 1.00 0.00 C ATOM 726 CG GLN A 47 15.564 -19.672 0.253 1.00 0.00 C ATOM 727 CD GLN A 47 17.080 -19.559 0.069 1.00 0.00 C ATOM 728 OE1 GLN A 47 17.766 -19.024 0.917 1.00 0.00 O ATOM 729 NE2 GLN A 47 17.634 -20.043 -1.008 1.00 0.00 N ATOM 0 H GLN A 47 12.302 -19.007 0.428 1.00 0.00 H new ATOM 0 HA GLN A 47 13.382 -20.619 1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.558 -18.519 2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 47 15.727 -20.246 2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.216 -20.643 -0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.057 -18.915 -0.346 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.058 -20.492 -1.720 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.643 -19.972 -1.138 1.00 0.00 H new ATOM 738 N THR A 48 12.087 -19.175 3.675 1.00 0.00 N ATOM 739 CA THR A 48 11.678 -18.925 5.086 1.00 0.00 C ATOM 740 C THR A 48 10.695 -20.010 5.532 1.00 0.00 C ATOM 741 O THR A 48 10.113 -19.935 6.596 1.00 0.00 O ATOM 742 CB THR A 48 11.006 -17.554 5.189 1.00 0.00 C ATOM 743 OG1 THR A 48 10.024 -17.435 4.171 1.00 0.00 O ATOM 744 CG2 THR A 48 12.055 -16.454 5.019 1.00 0.00 C ATOM 0 H THR A 48 11.325 -19.188 2.997 1.00 0.00 H new ATOM 0 HA THR A 48 12.559 -18.946 5.728 1.00 0.00 H new ATOM 0 HB THR A 48 10.533 -17.453 6.166 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.195 -17.868 4.464 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.574 -15.478 5.093 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.809 -16.547 5.800 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.530 -16.552 4.043 1.00 0.00 H new ATOM 752 N ASN A 49 10.505 -21.020 4.727 1.00 0.00 N ATOM 753 CA ASN A 49 9.561 -22.109 5.104 1.00 0.00 C ATOM 754 C ASN A 49 8.205 -21.505 5.475 1.00 0.00 C ATOM 755 O ASN A 49 7.729 -21.655 6.583 1.00 0.00 O ATOM 756 CB ASN A 49 10.120 -22.876 6.304 1.00 0.00 C ATOM 757 CG ASN A 49 9.407 -24.225 6.425 1.00 0.00 C ATOM 758 OD1 ASN A 49 8.709 -24.640 5.521 1.00 0.00 O ATOM 759 ND2 ASN A 49 9.553 -24.931 7.513 1.00 0.00 N ATOM 0 H ASN A 49 10.964 -21.138 3.824 1.00 0.00 H new ATOM 0 HA ASN A 49 9.438 -22.789 4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.192 -23.029 6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.981 -22.296 7.216 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.081 -25.831 7.604 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.139 -24.583 8.272 1.00 0.00 H new ATOM 766 N THR A 50 7.578 -20.823 4.555 1.00 0.00 N ATOM 767 CA THR A 50 6.253 -20.211 4.856 1.00 0.00 C ATOM 768 C THR A 50 5.173 -21.292 4.805 1.00 0.00 C ATOM 769 O THR A 50 5.197 -22.169 3.965 1.00 0.00 O ATOM 770 CB THR A 50 5.938 -19.132 3.818 1.00 0.00 C ATOM 771 OG1 THR A 50 7.026 -18.222 3.738 1.00 0.00 O ATOM 772 CG2 THR A 50 4.669 -18.379 4.229 1.00 0.00 C ATOM 0 H THR A 50 7.926 -20.664 3.609 1.00 0.00 H new ATOM 0 HA THR A 50 6.278 -19.763 5.849 1.00 0.00 H new ATOM 0 HB THR A 50 5.781 -19.598 2.845 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.468 -18.316 2.868 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.446 -17.611 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.835 -19.078 4.289 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.822 -17.912 5.202 1.00 0.00 H new ATOM 780 N HIS A 51 4.222 -21.235 5.695 1.00 0.00 N ATOM 781 CA HIS A 51 3.141 -22.256 5.692 1.00 0.00 C ATOM 782 C HIS A 51 1.811 -21.575 5.371 1.00 0.00 C ATOM 783 O HIS A 51 1.709 -20.365 5.368 1.00 0.00 O ATOM 784 CB HIS A 51 3.058 -22.919 7.068 1.00 0.00 C ATOM 785 CG HIS A 51 4.397 -23.503 7.427 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.426 -22.731 7.944 1.00 0.00 N ATOM 787 CD2 HIS A 51 4.889 -24.782 7.351 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.475 -23.545 8.158 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.202 -24.807 7.813 1.00 0.00 N ATOM 0 H HIS A 51 4.148 -20.525 6.424 1.00 0.00 H new ATOM 0 HA HIS A 51 3.356 -23.016 4.940 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.756 -22.188 7.818 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.299 -23.701 7.061 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.341 -25.639 6.988 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.423 -23.219 8.560 1.00 0.00 H new ATOM 0 HE2 HIS A 51 6.822 -25.615 7.875 1.00 0.00 H new ATOM 797 N ILE A 52 0.790 -22.338 5.101 1.00 0.00 N ATOM 798 CA ILE A 52 -0.527 -21.724 4.782 1.00 0.00 C ATOM 799 C ILE A 52 -1.222 -21.304 6.076 1.00 0.00 C ATOM 800 O ILE A 52 -1.441 -22.103 6.966 1.00 0.00 O ATOM 801 CB ILE A 52 -1.403 -22.733 4.042 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.726 -23.131 2.730 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.761 -22.095 3.745 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.694 -23.972 1.896 1.00 0.00 C ATOM 0 H ILE A 52 0.810 -23.358 5.087 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.370 -20.850 4.150 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.542 -23.621 4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.430 -22.240 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.183 -23.697 2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.391 -22.810 3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.242 -21.810 4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.619 -21.209 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.214 -24.257 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.968 -24.869 2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.590 -23.390 1.682 1.00 0.00 H new ATOM 816 N ARG A 53 -1.570 -20.056 6.181 1.00 0.00 N ATOM 817 CA ARG A 53 -2.254 -19.565 7.408 1.00 0.00 C ATOM 818 C ARG A 53 -3.740 -19.908 7.328 1.00 0.00 C ATOM 819 O ARG A 53 -4.331 -20.399 8.270 1.00 0.00 O ATOM 820 CB ARG A 53 -2.084 -18.049 7.504 1.00 0.00 C ATOM 821 CG ARG A 53 -2.915 -17.514 8.670 1.00 0.00 C ATOM 822 CD ARG A 53 -2.755 -15.995 8.760 1.00 0.00 C ATOM 823 NE ARG A 53 -3.337 -15.511 10.045 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.557 -15.047 10.078 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.771 -13.765 9.974 1.00 0.00 N ATOM 826 NH2 ARG A 53 -5.563 -15.867 10.216 1.00 0.00 N ATOM 0 H ARG A 53 -1.409 -19.348 5.465 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.819 -20.038 8.288 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.033 -17.799 7.648 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.399 -17.578 6.573 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.965 -17.772 8.530 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.594 -17.979 9.602 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.701 -15.725 8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.254 -15.515 7.918 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.781 -15.543 10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.985 -13.124 9.867 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.724 -13.403 10.000 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.396 -16.870 10.298 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.516 -15.505 10.242 1.00 0.00 H new ATOM 840 N SER A 54 -4.346 -19.656 6.204 1.00 0.00 N ATOM 841 CA SER A 54 -5.794 -19.966 6.046 1.00 0.00 C ATOM 842 C SER A 54 -6.093 -20.226 4.568 1.00 0.00 C ATOM 843 O SER A 54 -5.406 -19.739 3.692 1.00 0.00 O ATOM 844 CB SER A 54 -6.628 -18.780 6.534 1.00 0.00 C ATOM 845 OG SER A 54 -7.904 -19.241 6.954 1.00 0.00 O ATOM 0 H SER A 54 -3.900 -19.247 5.383 1.00 0.00 H new ATOM 0 HA SER A 54 -6.046 -20.849 6.633 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.121 -18.279 7.359 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.739 -18.046 5.736 1.00 0.00 H new ATOM 0 HG SER A 54 -8.439 -18.482 7.269 1.00 0.00 H new ATOM 851 N THR A 55 -7.108 -20.990 4.282 1.00 0.00 N ATOM 852 CA THR A 55 -7.440 -21.277 2.859 1.00 0.00 C ATOM 853 C THR A 55 -8.075 -20.040 2.224 1.00 0.00 C ATOM 854 O THR A 55 -8.798 -19.302 2.863 1.00 0.00 O ATOM 855 CB THR A 55 -8.420 -22.450 2.788 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.704 -22.021 3.220 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.929 -23.583 3.689 1.00 0.00 C ATOM 0 H THR A 55 -7.721 -21.428 4.970 1.00 0.00 H new ATOM 0 HA THR A 55 -6.529 -21.534 2.319 1.00 0.00 H new ATOM 0 HB THR A 55 -8.484 -22.808 1.760 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.333 -22.771 3.173 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.628 -24.418 3.637 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.945 -23.913 3.356 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.863 -23.228 4.717 1.00 0.00 H new ATOM 865 N GLY A 56 -7.805 -19.806 0.970 1.00 0.00 N ATOM 866 CA GLY A 56 -8.386 -18.617 0.289 1.00 0.00 C ATOM 867 C GLY A 56 -7.466 -17.416 0.491 1.00 0.00 C ATOM 868 O GLY A 56 -6.595 -17.421 1.338 1.00 0.00 O ATOM 0 H GLY A 56 -7.205 -20.389 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.511 -18.819 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.376 -18.402 0.691 1.00 0.00 H new ATOM 872 N LYS A 57 -7.656 -16.387 -0.281 1.00 0.00 N ATOM 873 CA LYS A 57 -6.798 -15.177 -0.141 1.00 0.00 C ATOM 874 C LYS A 57 -7.039 -14.541 1.228 1.00 0.00 C ATOM 875 O LYS A 57 -8.158 -14.446 1.691 1.00 0.00 O ATOM 876 CB LYS A 57 -7.151 -14.171 -1.238 1.00 0.00 C ATOM 877 CG LYS A 57 -6.749 -14.735 -2.602 1.00 0.00 C ATOM 878 CD LYS A 57 -6.731 -13.605 -3.633 1.00 0.00 C ATOM 879 CE LYS A 57 -6.472 -14.187 -5.024 1.00 0.00 C ATOM 880 NZ LYS A 57 -6.016 -13.101 -5.937 1.00 0.00 N ATOM 0 H LYS A 57 -8.371 -16.329 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.750 -15.461 -0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.220 -13.960 -1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.637 -13.227 -1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.766 -15.201 -2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.451 -15.511 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.682 -13.073 -3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.957 -12.880 -3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.717 -14.971 -4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.380 -14.647 -5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.839 -13.494 -6.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.751 -12.368 -5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.139 -12.682 -5.567 1.00 0.00 H new ATOM 894 N CYS A 58 -5.998 -14.103 1.881 1.00 0.00 N ATOM 895 CA CYS A 58 -6.170 -13.473 3.219 1.00 0.00 C ATOM 896 C CYS A 58 -6.861 -12.118 3.058 1.00 0.00 C ATOM 897 O CYS A 58 -6.754 -11.474 2.034 1.00 0.00 O ATOM 898 CB CYS A 58 -4.801 -13.272 3.869 1.00 0.00 C ATOM 899 SG CYS A 58 -4.762 -14.118 5.468 1.00 0.00 S ATOM 0 H CYS A 58 -5.036 -14.154 1.545 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.779 -14.120 3.850 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.017 -13.663 3.220 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.603 -12.209 4.003 1.00 0.00 H new ATOM 904 N GLU A 59 -7.570 -11.680 4.061 1.00 0.00 N ATOM 905 CA GLU A 59 -8.267 -10.366 3.964 1.00 0.00 C ATOM 906 C GLU A 59 -7.237 -9.257 3.737 1.00 0.00 C ATOM 907 O GLU A 59 -6.068 -9.580 3.603 1.00 0.00 O ATOM 908 CB GLU A 59 -9.030 -10.096 5.261 1.00 0.00 C ATOM 909 CG GLU A 59 -10.115 -11.159 5.444 1.00 0.00 C ATOM 910 CD GLU A 59 -10.929 -10.847 6.701 1.00 0.00 C ATOM 911 OE1 GLU A 59 -10.536 -9.950 7.429 1.00 0.00 O ATOM 912 OE2 GLU A 59 -11.930 -11.510 6.915 1.00 0.00 O ATOM 913 OXT GLU A 59 -7.635 -8.105 3.702 1.00 0.00 O ATOM 0 H GLU A 59 -7.697 -12.175 4.944 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.967 -10.387 3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.345 -10.111 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.479 -9.103 5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.768 -11.181 4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.661 -12.146 5.528 1.00 0.00 H new TER 920 GLU A 59