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 103:sc= 0.261 USER MOD Set 1.2: A 50 THR OG1 : rot -51:sc= 0.951 USER MOD Set 2.1: A 31 GLN : amide:sc= -0.895 K(o=-0.58,f=-8.1!) USER MOD Set 2.2: A 33 TYR OH : rot 17:sc= 0.313 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -125:sc= 0.14 (180deg=-0.401) USER MOD Set 3.2: A 49 ASN : amide:sc= 0.144 K(o=0.28,f=-2!) USER MOD Set 4.1: A 2 SER OG : rot 174:sc= -2.53! USER MOD Set 4.2: A 43 ASN : amide:sc= -4.99! C(o=-7.5!,f=-10!) USER MOD Set 5.1: A 1 ASP N :NH3+ -128:sc= 0.0995 (180deg=0.0139) USER MOD Set 5.2: A 4 MET CE :methyl -154:sc= -0.336 (180deg=-1.83!) USER MOD Single : A 8 TYR OH : rot 1:sc= -2.28! USER MOD Single : A 16 TYR OH : rot 0:sc= -6.67! 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 160:sc= -0.846 USER MOD Single : A 34 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.69) USER MOD Single : A 35 ASN : amide:sc= -6.71! C(o=-6.7!,f=-20!) USER MOD Single : A 38 MET CE :methyl -151:sc= -0.298 (180deg=-1.5!) USER MOD Single : A 41 HIS : no HE2:sc= -0.184 K(o=-0.18,f=-1.6) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 51 HIS :FLIP no HE2:sc= -3.41 F(o=-5!,f=-3.4) USER MOD Single : A 54 SER OG : rot 180:sc= -0.155 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 0.821 -28.587 3.279 1.00 0.00 N ATOM 2 CA ASP A 1 1.461 -27.293 3.650 1.00 0.00 C ATOM 3 C ASP A 1 2.843 -27.204 3.003 1.00 0.00 C ATOM 4 O ASP A 1 3.312 -28.140 2.386 1.00 0.00 O ATOM 5 CB ASP A 1 1.606 -27.213 5.172 1.00 0.00 C ATOM 6 CG ASP A 1 0.219 -27.178 5.815 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.744 -26.989 5.090 1.00 0.00 O ATOM 8 OD2 ASP A 1 0.143 -27.340 7.022 1.00 0.00 O ATOM 0 H1 ASP A 1 -0.128 -28.407 2.894 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.400 -29.068 2.561 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.744 -29.190 4.122 1.00 0.00 H new ATOM 0 HA ASP A 1 0.841 -26.468 3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 1 2.168 -28.072 5.540 1.00 0.00 H new ATOM 0 HB3 ASP A 1 2.169 -26.322 5.448 1.00 0.00 H new ATOM 15 N SER A 2 3.500 -26.084 3.136 1.00 0.00 N ATOM 16 CA SER A 2 4.850 -25.939 2.527 1.00 0.00 C ATOM 17 C SER A 2 5.716 -27.134 2.918 1.00 0.00 C ATOM 18 O SER A 2 6.508 -27.622 2.138 1.00 0.00 O ATOM 19 CB SER A 2 5.503 -24.650 3.029 1.00 0.00 C ATOM 20 OG SER A 2 5.206 -23.591 2.131 1.00 0.00 O ATOM 0 H SER A 2 3.160 -25.265 3.640 1.00 0.00 H new ATOM 0 HA SER A 2 4.755 -25.898 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.137 -24.409 4.027 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.582 -24.783 3.108 1.00 0.00 H new ATOM 0 HG SER A 2 5.542 -22.747 2.498 1.00 0.00 H new ATOM 26 N GLU A 3 5.568 -27.613 4.122 1.00 0.00 N ATOM 27 CA GLU A 3 6.382 -28.781 4.557 1.00 0.00 C ATOM 28 C GLU A 3 6.193 -29.918 3.554 1.00 0.00 C ATOM 29 O GLU A 3 7.059 -30.751 3.372 1.00 0.00 O ATOM 30 CB GLU A 3 5.926 -29.239 5.945 1.00 0.00 C ATOM 31 CG GLU A 3 6.882 -28.683 7.002 1.00 0.00 C ATOM 32 CD GLU A 3 6.341 -29.001 8.397 1.00 0.00 C ATOM 33 OE1 GLU A 3 5.642 -29.991 8.528 1.00 0.00 O ATOM 34 OE2 GLU A 3 6.636 -28.249 9.311 1.00 0.00 O ATOM 0 H GLU A 3 4.921 -27.247 4.821 1.00 0.00 H new ATOM 0 HA GLU A 3 7.434 -28.500 4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.911 -28.893 6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.907 -30.328 5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 3 7.873 -29.119 6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.990 -27.605 6.879 1.00 0.00 H new ATOM 41 N MET A 4 5.068 -29.951 2.893 1.00 0.00 N ATOM 42 CA MET A 4 4.821 -31.025 1.892 1.00 0.00 C ATOM 43 C MET A 4 5.743 -30.816 0.689 1.00 0.00 C ATOM 44 O MET A 4 6.122 -31.753 0.015 1.00 0.00 O ATOM 45 CB MET A 4 3.362 -30.968 1.436 1.00 0.00 C ATOM 46 CG MET A 4 3.062 -32.164 0.529 1.00 0.00 C ATOM 47 SD MET A 4 1.373 -32.031 -0.109 1.00 0.00 S ATOM 48 CE MET A 4 0.529 -31.995 1.492 1.00 0.00 C ATOM 0 H MET A 4 4.309 -29.279 3.004 1.00 0.00 H new ATOM 0 HA MET A 4 5.022 -31.998 2.340 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.699 -30.979 2.301 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.173 -30.037 0.902 1.00 0.00 H new ATOM 0 HG2 MET A 4 3.773 -32.195 -0.297 1.00 0.00 H new ATOM 0 HG3 MET A 4 3.180 -33.094 1.085 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.488 -32.371 1.376 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.069 -32.622 2.202 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.497 -30.971 1.863 1.00 0.00 H new ATOM 58 N CYS A 5 6.110 -29.594 0.416 1.00 0.00 N ATOM 59 CA CYS A 5 7.009 -29.325 -0.742 1.00 0.00 C ATOM 60 C CYS A 5 8.459 -29.592 -0.328 1.00 0.00 C ATOM 61 O CYS A 5 9.281 -29.992 -1.127 1.00 0.00 O ATOM 62 CB CYS A 5 6.861 -27.864 -1.177 1.00 0.00 C ATOM 63 SG CYS A 5 5.176 -27.577 -1.775 1.00 0.00 S ATOM 0 H CYS A 5 5.826 -28.770 0.945 1.00 0.00 H new ATOM 0 HA CYS A 5 6.740 -29.977 -1.573 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.079 -27.201 -0.340 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.581 -27.633 -1.962 1.00 0.00 H new ATOM 68 N LYS A 6 8.778 -29.376 0.918 1.00 0.00 N ATOM 69 CA LYS A 6 10.172 -29.621 1.384 1.00 0.00 C ATOM 70 C LYS A 6 10.528 -31.094 1.170 1.00 0.00 C ATOM 71 O LYS A 6 11.683 -31.455 1.064 1.00 0.00 O ATOM 72 CB LYS A 6 10.281 -29.283 2.871 1.00 0.00 C ATOM 73 CG LYS A 6 9.965 -27.802 3.083 1.00 0.00 C ATOM 74 CD LYS A 6 10.314 -27.408 4.521 1.00 0.00 C ATOM 75 CE LYS A 6 9.968 -25.935 4.746 1.00 0.00 C ATOM 76 NZ LYS A 6 10.886 -25.080 3.941 1.00 0.00 N ATOM 0 H LYS A 6 8.134 -29.040 1.634 1.00 0.00 H new ATOM 0 HA LYS A 6 10.860 -28.993 0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.590 -29.899 3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.284 -29.507 3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.533 -27.193 2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.909 -27.613 2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.764 -28.033 5.224 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.375 -27.576 4.708 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.933 -25.746 4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.057 -25.687 5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.357 -24.394 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.602 -25.677 3.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.340 -24.571 3.216 1.00 0.00 H new ATOM 90 N ASP A 7 9.542 -31.946 1.108 1.00 0.00 N ATOM 91 CA ASP A 7 9.821 -33.396 0.905 1.00 0.00 C ATOM 92 C ASP A 7 10.180 -33.647 -0.561 1.00 0.00 C ATOM 93 O ASP A 7 10.869 -34.593 -0.887 1.00 0.00 O ATOM 94 CB ASP A 7 8.581 -34.211 1.272 1.00 0.00 C ATOM 95 CG ASP A 7 8.288 -34.049 2.765 1.00 0.00 C ATOM 96 OD1 ASP A 7 9.174 -33.607 3.478 1.00 0.00 O ATOM 97 OD2 ASP A 7 7.183 -34.369 3.170 1.00 0.00 O ATOM 0 H ASP A 7 8.555 -31.701 1.189 1.00 0.00 H new ATOM 0 HA ASP A 7 10.654 -33.697 1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.726 -33.877 0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.740 -35.263 1.034 1.00 0.00 H new ATOM 102 N TYR A 8 9.717 -32.810 -1.449 1.00 0.00 N ATOM 103 CA TYR A 8 10.034 -33.009 -2.890 1.00 0.00 C ATOM 104 C TYR A 8 11.115 -32.005 -3.313 1.00 0.00 C ATOM 105 O TYR A 8 11.269 -30.957 -2.719 1.00 0.00 O ATOM 106 CB TYR A 8 8.744 -32.837 -3.722 1.00 0.00 C ATOM 107 CG TYR A 8 8.736 -31.522 -4.477 1.00 0.00 C ATOM 108 CD1 TYR A 8 8.356 -30.345 -3.826 1.00 0.00 C ATOM 109 CD2 TYR A 8 9.105 -31.487 -5.827 1.00 0.00 C ATOM 110 CE1 TYR A 8 8.343 -29.131 -4.523 1.00 0.00 C ATOM 111 CE2 TYR A 8 9.093 -30.274 -6.524 1.00 0.00 C ATOM 112 CZ TYR A 8 8.711 -29.095 -5.872 1.00 0.00 C ATOM 113 OH TYR A 8 8.699 -27.899 -6.559 1.00 0.00 O ATOM 0 H TYR A 8 9.135 -31.999 -1.239 1.00 0.00 H new ATOM 0 HA TYR A 8 10.418 -34.014 -3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.653 -33.663 -4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.877 -32.884 -3.063 1.00 0.00 H new ATOM 0 HD1 TYR A 8 8.072 -30.372 -2.784 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.399 -32.396 -6.330 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.049 -28.222 -4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 8 9.378 -30.247 -7.565 1.00 0.00 H new ATOM 0 HH TYR A 8 8.428 -27.177 -5.954 1.00 0.00 H new ATOM 123 N ARG A 9 11.861 -32.321 -4.335 1.00 0.00 N ATOM 124 CA ARG A 9 12.928 -31.387 -4.795 1.00 0.00 C ATOM 125 C ARG A 9 12.773 -31.142 -6.296 1.00 0.00 C ATOM 126 O ARG A 9 12.482 -32.045 -7.055 1.00 0.00 O ATOM 127 CB ARG A 9 14.301 -32.004 -4.519 1.00 0.00 C ATOM 128 CG ARG A 9 14.597 -31.942 -3.020 1.00 0.00 C ATOM 129 CD ARG A 9 16.028 -32.420 -2.767 1.00 0.00 C ATOM 130 NE ARG A 9 16.240 -33.727 -3.451 1.00 0.00 N ATOM 131 CZ ARG A 9 16.107 -34.842 -2.785 1.00 0.00 C ATOM 132 NH1 ARG A 9 17.164 -35.464 -2.341 1.00 0.00 N ATOM 133 NH2 ARG A 9 14.919 -35.332 -2.564 1.00 0.00 N ATOM 0 H ARG A 9 11.779 -33.185 -4.871 1.00 0.00 H new ATOM 0 HA ARG A 9 12.841 -30.442 -4.259 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.322 -33.038 -4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 9 15.070 -31.468 -5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.472 -30.923 -2.655 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.891 -32.566 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.740 -31.683 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.205 -32.524 -1.696 1.00 0.00 H new ATOM 0 HE ARG A 9 16.489 -33.750 -4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.093 -35.079 -2.514 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.062 -36.335 -1.820 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.093 -34.844 -2.912 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.815 -36.203 -2.044 1.00 0.00 H new ATOM 147 N VAL A 10 12.964 -29.927 -6.732 1.00 0.00 N ATOM 148 CA VAL A 10 12.825 -29.629 -8.184 1.00 0.00 C ATOM 149 C VAL A 10 14.125 -29.012 -8.706 1.00 0.00 C ATOM 150 O VAL A 10 14.806 -28.290 -8.008 1.00 0.00 O ATOM 151 CB VAL A 10 11.669 -28.649 -8.389 1.00 0.00 C ATOM 152 CG1 VAL A 10 11.982 -27.332 -7.681 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.474 -28.391 -9.882 1.00 0.00 C ATOM 0 H VAL A 10 13.210 -29.129 -6.146 1.00 0.00 H new ATOM 0 HA VAL A 10 12.621 -30.550 -8.730 1.00 0.00 H new ATOM 0 HB VAL A 10 10.757 -29.076 -7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.157 -26.635 -7.828 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.117 -27.515 -6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.896 -26.905 -8.094 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.650 -27.692 -10.026 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.387 -27.966 -10.300 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.246 -29.330 -10.387 1.00 0.00 H new ATOM 163 N LEU A 11 14.472 -29.296 -9.932 1.00 0.00 N ATOM 164 CA LEU A 11 15.728 -28.732 -10.505 1.00 0.00 C ATOM 165 C LEU A 11 15.378 -27.667 -11.546 1.00 0.00 C ATOM 166 O LEU A 11 14.223 -27.442 -11.850 1.00 0.00 O ATOM 167 CB LEU A 11 16.527 -29.853 -11.168 1.00 0.00 C ATOM 168 CG LEU A 11 17.808 -30.105 -10.371 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.503 -31.038 -9.198 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.854 -30.753 -11.280 1.00 0.00 C ATOM 0 H LEU A 11 13.939 -29.895 -10.563 1.00 0.00 H new ATOM 0 HA LEU A 11 16.324 -28.280 -9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.929 -30.763 -11.213 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.772 -29.581 -12.195 1.00 0.00 H new ATOM 0 HG LEU A 11 18.193 -29.158 -9.991 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.415 -31.218 -8.630 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.757 -30.577 -8.551 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.119 -31.985 -9.577 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.767 -30.933 -10.713 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.470 -31.700 -11.659 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.071 -30.088 -12.116 1.00 0.00 H new ATOM 182 N PRO A 12 16.400 -26.999 -12.103 1.00 0.00 N ATOM 183 CA PRO A 12 16.204 -25.955 -13.116 1.00 0.00 C ATOM 184 C PRO A 12 15.657 -26.532 -14.424 1.00 0.00 C ATOM 185 O PRO A 12 15.006 -25.850 -15.190 1.00 0.00 O ATOM 186 CB PRO A 12 17.609 -25.393 -13.330 1.00 0.00 C ATOM 187 CG PRO A 12 18.517 -26.504 -12.926 1.00 0.00 C ATOM 188 CD PRO A 12 17.826 -27.208 -11.795 1.00 0.00 C ATOM 0 HA PRO A 12 15.480 -25.205 -12.799 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.769 -25.107 -14.370 1.00 0.00 H new ATOM 0 HB3 PRO A 12 17.777 -24.502 -12.725 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.696 -27.184 -13.758 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.488 -26.121 -12.613 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.082 -28.267 -11.761 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.097 -26.784 -10.828 1.00 0.00 H new ATOM 196 N ARG A 13 15.907 -27.786 -14.680 1.00 0.00 N ATOM 197 CA ARG A 13 15.391 -28.406 -15.931 1.00 0.00 C ATOM 198 C ARG A 13 13.959 -28.884 -15.693 1.00 0.00 C ATOM 199 O ARG A 13 13.138 -28.893 -16.589 1.00 0.00 O ATOM 200 CB ARG A 13 16.271 -29.597 -16.316 1.00 0.00 C ATOM 201 CG ARG A 13 15.716 -30.249 -17.584 1.00 0.00 C ATOM 202 CD ARG A 13 16.490 -31.535 -17.877 1.00 0.00 C ATOM 203 NE ARG A 13 16.125 -32.036 -19.233 1.00 0.00 N ATOM 204 CZ ARG A 13 15.770 -33.281 -19.394 1.00 0.00 C ATOM 205 NH1 ARG A 13 14.919 -33.829 -18.572 1.00 0.00 N ATOM 206 NH2 ARG A 13 16.268 -33.979 -20.379 1.00 0.00 N ATOM 0 H ARG A 13 16.446 -28.408 -14.077 1.00 0.00 H new ATOM 0 HA ARG A 13 15.407 -27.674 -16.739 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.296 -29.267 -16.482 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.297 -30.322 -15.502 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.656 -30.471 -17.458 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.800 -29.562 -18.426 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.562 -31.347 -17.823 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.261 -32.290 -17.125 1.00 0.00 H new ATOM 0 HE ARG A 13 16.153 -31.406 -20.034 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.530 -33.284 -17.802 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.642 -34.802 -18.699 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.934 -33.551 -21.022 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.991 -34.952 -20.505 1.00 0.00 H new ATOM 220 N ILE A 14 13.653 -29.277 -14.486 1.00 0.00 N ATOM 221 CA ILE A 14 12.273 -29.749 -14.181 1.00 0.00 C ATOM 222 C ILE A 14 11.403 -28.547 -13.808 1.00 0.00 C ATOM 223 O ILE A 14 10.241 -28.474 -14.157 1.00 0.00 O ATOM 224 CB ILE A 14 12.316 -30.730 -13.006 1.00 0.00 C ATOM 225 CG1 ILE A 14 13.154 -31.951 -13.390 1.00 0.00 C ATOM 226 CG2 ILE A 14 10.894 -31.177 -12.663 1.00 0.00 C ATOM 227 CD1 ILE A 14 13.308 -32.866 -12.173 1.00 0.00 C ATOM 0 H ILE A 14 14.300 -29.291 -13.698 1.00 0.00 H new ATOM 0 HA ILE A 14 11.855 -30.249 -15.055 1.00 0.00 H new ATOM 0 HB ILE A 14 12.763 -30.240 -12.141 1.00 0.00 H new ATOM 0 HG12 ILE A 14 12.676 -32.492 -14.207 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.134 -31.635 -13.747 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.924 -31.875 -11.827 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.296 -30.308 -12.389 1.00 0.00 H new ATOM 0 HG23 ILE A 14 10.448 -31.667 -13.529 1.00 0.00 H new ATOM 0 HD11 ILE A 14 13.905 -33.736 -12.445 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.805 -32.322 -11.370 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.324 -33.192 -11.836 1.00 0.00 H new ATOM 239 N GLY A 15 11.959 -27.600 -13.102 1.00 0.00 N ATOM 240 CA GLY A 15 11.170 -26.400 -12.707 1.00 0.00 C ATOM 241 C GLY A 15 10.067 -26.809 -11.730 1.00 0.00 C ATOM 242 O GLY A 15 9.466 -27.858 -11.859 1.00 0.00 O ATOM 0 H GLY A 15 12.927 -27.606 -12.782 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.823 -25.659 -12.245 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.733 -25.933 -13.590 1.00 0.00 H new ATOM 246 N TYR A 16 9.798 -25.986 -10.754 1.00 0.00 N ATOM 247 CA TYR A 16 8.737 -26.318 -9.762 1.00 0.00 C ATOM 248 C TYR A 16 7.521 -26.907 -10.480 1.00 0.00 C ATOM 249 O TYR A 16 7.271 -26.620 -11.633 1.00 0.00 O ATOM 250 CB TYR A 16 8.321 -25.047 -9.021 1.00 0.00 C ATOM 251 CG TYR A 16 8.170 -25.355 -7.553 1.00 0.00 C ATOM 252 CD1 TYR A 16 9.282 -25.284 -6.706 1.00 0.00 C ATOM 253 CD2 TYR A 16 6.919 -25.716 -7.038 1.00 0.00 C ATOM 254 CE1 TYR A 16 9.144 -25.571 -5.344 1.00 0.00 C ATOM 255 CE2 TYR A 16 6.780 -26.003 -5.675 1.00 0.00 C ATOM 256 CZ TYR A 16 7.893 -25.931 -4.828 1.00 0.00 C ATOM 257 OH TYR A 16 7.757 -26.212 -3.484 1.00 0.00 O ATOM 0 H TYR A 16 10.269 -25.095 -10.600 1.00 0.00 H new ATOM 0 HA TYR A 16 9.124 -27.049 -9.052 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.068 -24.266 -9.166 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.382 -24.668 -9.424 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.247 -25.007 -7.104 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.062 -25.773 -7.692 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.002 -25.515 -4.691 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.815 -26.280 -5.277 1.00 0.00 H new ATOM 0 HH TYR A 16 8.625 -26.112 -3.040 1.00 0.00 H new ATOM 267 N LEU A 17 6.765 -27.728 -9.804 1.00 0.00 N ATOM 268 CA LEU A 17 5.566 -28.333 -10.447 1.00 0.00 C ATOM 269 C LEU A 17 4.321 -28.007 -9.617 1.00 0.00 C ATOM 270 O LEU A 17 4.209 -28.388 -8.469 1.00 0.00 O ATOM 271 CB LEU A 17 5.739 -29.851 -10.531 1.00 0.00 C ATOM 272 CG LEU A 17 4.549 -30.460 -11.276 1.00 0.00 C ATOM 273 CD1 LEU A 17 4.632 -30.093 -12.759 1.00 0.00 C ATOM 274 CD2 LEU A 17 4.578 -31.981 -11.124 1.00 0.00 C ATOM 0 H LEU A 17 6.926 -28.005 -8.836 1.00 0.00 H new ATOM 0 HA LEU A 17 5.451 -27.925 -11.451 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.668 -30.094 -11.047 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.811 -30.275 -9.530 1.00 0.00 H new ATOM 0 HG LEU A 17 3.621 -30.070 -10.858 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.784 -30.527 -13.289 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.611 -29.009 -12.867 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.560 -30.482 -13.179 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.731 -32.416 -11.654 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.506 -32.371 -11.542 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.518 -32.242 -10.068 1.00 0.00 H new ATOM 286 N CYS A 18 3.385 -27.305 -10.194 1.00 0.00 N ATOM 287 CA CYS A 18 2.145 -26.951 -9.448 1.00 0.00 C ATOM 288 C CYS A 18 0.926 -27.331 -10.290 1.00 0.00 C ATOM 289 O CYS A 18 1.007 -27.447 -11.498 1.00 0.00 O ATOM 290 CB CYS A 18 2.130 -25.446 -9.175 1.00 0.00 C ATOM 291 SG CYS A 18 3.584 -25.002 -8.194 1.00 0.00 S ATOM 0 H CYS A 18 3.426 -26.960 -11.153 1.00 0.00 H new ATOM 0 HA CYS A 18 2.117 -27.491 -8.501 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.129 -24.894 -10.115 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.220 -25.170 -8.643 1.00 0.00 H new ATOM 296 N PRO A 19 -0.225 -27.528 -9.637 1.00 0.00 N ATOM 297 CA PRO A 19 -1.471 -27.897 -10.320 1.00 0.00 C ATOM 298 C PRO A 19 -2.032 -26.736 -11.142 1.00 0.00 C ATOM 299 O PRO A 19 -1.624 -25.601 -10.991 1.00 0.00 O ATOM 300 CB PRO A 19 -2.423 -28.232 -9.173 1.00 0.00 C ATOM 301 CG PRO A 19 -1.895 -27.466 -8.007 1.00 0.00 C ATOM 302 CD PRO A 19 -0.402 -27.406 -8.181 1.00 0.00 C ATOM 0 HA PRO A 19 -1.325 -28.717 -11.023 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.446 -27.939 -9.409 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.437 -29.303 -8.970 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.323 -26.464 -7.974 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.158 -27.956 -7.069 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.010 -26.470 -7.803 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.098 -28.213 -7.646 1.00 0.00 H new ATOM 310 N LYS A 20 -2.965 -27.009 -12.011 1.00 0.00 N ATOM 311 CA LYS A 20 -3.548 -25.919 -12.841 1.00 0.00 C ATOM 312 C LYS A 20 -4.741 -25.302 -12.106 1.00 0.00 C ATOM 313 O LYS A 20 -5.275 -24.289 -12.511 1.00 0.00 O ATOM 314 CB LYS A 20 -4.008 -26.486 -14.186 1.00 0.00 C ATOM 315 CG LYS A 20 -2.806 -27.089 -14.919 1.00 0.00 C ATOM 316 CD LYS A 20 -3.251 -27.622 -16.283 1.00 0.00 C ATOM 317 CE LYS A 20 -2.046 -28.218 -17.015 1.00 0.00 C ATOM 318 NZ LYS A 20 -2.511 -28.936 -18.236 1.00 0.00 N ATOM 0 H LYS A 20 -3.348 -27.939 -12.182 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.793 -25.152 -13.015 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.773 -27.247 -14.030 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.460 -25.699 -14.790 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.030 -26.335 -15.048 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.372 -27.895 -14.326 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.024 -28.380 -16.155 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.688 -26.818 -16.875 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.346 -27.428 -17.289 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.511 -28.904 -16.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.692 -29.341 -18.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.163 -29.699 -17.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.003 -28.269 -18.865 1.00 0.00 H new ATOM 332 N ASP A 21 -5.157 -25.901 -11.024 1.00 0.00 N ATOM 333 CA ASP A 21 -6.309 -25.342 -10.261 1.00 0.00 C ATOM 334 C ASP A 21 -5.833 -24.135 -9.450 1.00 0.00 C ATOM 335 O ASP A 21 -5.133 -24.272 -8.467 1.00 0.00 O ATOM 336 CB ASP A 21 -6.859 -26.410 -9.315 1.00 0.00 C ATOM 337 CG ASP A 21 -8.202 -25.946 -8.748 1.00 0.00 C ATOM 338 OD1 ASP A 21 -8.660 -24.890 -9.151 1.00 0.00 O ATOM 339 OD2 ASP A 21 -8.751 -26.655 -7.920 1.00 0.00 O ATOM 0 H ASP A 21 -4.750 -26.752 -10.636 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.094 -25.033 -10.951 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.983 -27.353 -9.847 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.153 -26.592 -8.505 1.00 0.00 H new ATOM 344 N LEU A 22 -6.202 -22.950 -9.858 1.00 0.00 N ATOM 345 CA LEU A 22 -5.764 -21.736 -9.113 1.00 0.00 C ATOM 346 C LEU A 22 -6.495 -21.659 -7.772 1.00 0.00 C ATOM 347 O LEU A 22 -7.708 -21.607 -7.716 1.00 0.00 O ATOM 348 CB LEU A 22 -6.084 -20.489 -9.939 1.00 0.00 C ATOM 349 CG LEU A 22 -5.722 -19.238 -9.136 1.00 0.00 C ATOM 350 CD1 LEU A 22 -4.229 -19.264 -8.800 1.00 0.00 C ATOM 351 CD2 LEU A 22 -6.037 -17.991 -9.964 1.00 0.00 C ATOM 0 H LEU A 22 -6.787 -22.771 -10.674 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.690 -21.792 -8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.526 -20.507 -10.875 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.142 -20.474 -10.199 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.303 -19.217 -8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.969 -18.373 -8.228 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.004 -20.153 -8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.649 -19.285 -9.722 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.779 -17.100 -9.392 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.457 -18.011 -10.886 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.100 -17.973 -10.204 1.00 0.00 H new ATOM 363 N LYS A 23 -5.766 -21.644 -6.689 1.00 0.00 N ATOM 364 CA LYS A 23 -6.418 -21.561 -5.349 1.00 0.00 C ATOM 365 C LYS A 23 -5.608 -20.617 -4.455 1.00 0.00 C ATOM 366 O LYS A 23 -4.500 -20.921 -4.060 1.00 0.00 O ATOM 367 CB LYS A 23 -6.474 -22.955 -4.718 1.00 0.00 C ATOM 368 CG LYS A 23 -7.711 -23.694 -5.229 1.00 0.00 C ATOM 369 CD LYS A 23 -8.139 -24.746 -4.202 1.00 0.00 C ATOM 370 CE LYS A 23 -7.323 -26.023 -4.410 1.00 0.00 C ATOM 371 NZ LYS A 23 -7.663 -27.010 -3.345 1.00 0.00 N ATOM 0 H LYS A 23 -4.747 -21.686 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.433 -21.179 -5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.573 -23.516 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.508 -22.873 -3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.523 -22.988 -5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.494 -24.171 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.988 -24.366 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.203 -24.960 -4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.533 -26.445 -5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.257 -25.795 -4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.108 -27.878 -3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.441 -26.605 -2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.677 -27.236 -3.392 1.00 0.00 H new ATOM 385 N PRO A 24 -6.179 -19.441 -4.142 1.00 0.00 N ATOM 386 CA PRO A 24 -5.521 -18.423 -3.306 1.00 0.00 C ATOM 387 C PRO A 24 -5.306 -18.893 -1.866 1.00 0.00 C ATOM 388 O PRO A 24 -6.241 -19.199 -1.156 1.00 0.00 O ATOM 389 CB PRO A 24 -6.504 -17.250 -3.335 1.00 0.00 C ATOM 390 CG PRO A 24 -7.820 -17.880 -3.633 1.00 0.00 C ATOM 391 CD PRO A 24 -7.521 -19.013 -4.571 1.00 0.00 C ATOM 0 HA PRO A 24 -4.526 -18.179 -3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.522 -16.723 -2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.230 -16.521 -4.097 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.297 -18.241 -2.722 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.504 -17.164 -4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.251 -19.817 -4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.530 -18.690 -5.612 1.00 0.00 H new ATOM 399 N VAL A 25 -4.076 -18.949 -1.432 1.00 0.00 N ATOM 400 CA VAL A 25 -3.799 -19.394 -0.036 1.00 0.00 C ATOM 401 C VAL A 25 -3.253 -18.218 0.781 1.00 0.00 C ATOM 402 O VAL A 25 -2.698 -17.280 0.242 1.00 0.00 O ATOM 403 CB VAL A 25 -2.756 -20.514 -0.054 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.266 -21.681 -0.901 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.452 -19.981 -0.652 1.00 0.00 C ATOM 0 H VAL A 25 -3.252 -18.706 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.723 -19.756 0.414 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.578 -20.860 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.521 -22.476 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.195 -22.060 -0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.446 -21.339 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.707 -20.776 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.633 -19.635 -1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.086 -19.152 -0.046 1.00 0.00 H new ATOM 415 N CYS A 26 -3.398 -18.263 2.078 1.00 0.00 N ATOM 416 CA CYS A 26 -2.878 -17.151 2.927 1.00 0.00 C ATOM 417 C CYS A 26 -1.518 -17.551 3.509 1.00 0.00 C ATOM 418 O CYS A 26 -1.428 -18.429 4.339 1.00 0.00 O ATOM 419 CB CYS A 26 -3.857 -16.874 4.075 1.00 0.00 C ATOM 420 SG CYS A 26 -3.084 -15.765 5.282 1.00 0.00 S ATOM 0 H CYS A 26 -3.854 -19.021 2.587 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.770 -16.253 2.319 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.771 -16.424 3.686 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.142 -17.809 4.556 1.00 0.00 H new ATOM 425 N GLY A 27 -0.462 -16.915 3.083 1.00 0.00 N ATOM 426 CA GLY A 27 0.886 -17.266 3.619 1.00 0.00 C ATOM 427 C GLY A 27 0.958 -16.898 5.104 1.00 0.00 C ATOM 428 O GLY A 27 0.492 -15.854 5.519 1.00 0.00 O ATOM 0 H GLY A 27 -0.473 -16.168 2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.075 -18.332 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.659 -16.735 3.064 1.00 0.00 H new ATOM 432 N ASP A 28 1.541 -17.745 5.909 1.00 0.00 N ATOM 433 CA ASP A 28 1.642 -17.442 7.366 1.00 0.00 C ATOM 434 C ASP A 28 2.652 -16.315 7.587 1.00 0.00 C ATOM 435 O ASP A 28 2.830 -15.835 8.689 1.00 0.00 O ATOM 436 CB ASP A 28 2.095 -18.692 8.121 1.00 0.00 C ATOM 437 CG ASP A 28 2.240 -18.368 9.609 1.00 0.00 C ATOM 438 OD1 ASP A 28 1.674 -17.374 10.036 1.00 0.00 O ATOM 439 OD2 ASP A 28 2.912 -19.118 10.297 1.00 0.00 O ATOM 0 H ASP A 28 1.952 -18.633 5.621 1.00 0.00 H new ATOM 0 HA ASP A 28 0.666 -17.130 7.738 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.371 -19.495 7.982 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.045 -19.046 7.721 1.00 0.00 H new ATOM 444 N ASP A 29 3.310 -15.879 6.548 1.00 0.00 N ATOM 445 CA ASP A 29 4.296 -14.776 6.705 1.00 0.00 C ATOM 446 C ASP A 29 3.585 -13.436 6.502 1.00 0.00 C ATOM 447 O ASP A 29 4.206 -12.393 6.452 1.00 0.00 O ATOM 448 CB ASP A 29 5.405 -14.931 5.662 1.00 0.00 C ATOM 449 CG ASP A 29 6.424 -15.962 6.154 1.00 0.00 C ATOM 450 OD1 ASP A 29 6.215 -16.507 7.225 1.00 0.00 O ATOM 451 OD2 ASP A 29 7.395 -16.188 5.451 1.00 0.00 O ATOM 0 H ASP A 29 3.207 -16.239 5.599 1.00 0.00 H new ATOM 0 HA ASP A 29 4.733 -14.812 7.703 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.982 -15.248 4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.895 -13.972 5.490 1.00 0.00 H new ATOM 456 N GLY A 30 2.283 -13.457 6.383 1.00 0.00 N ATOM 457 CA GLY A 30 1.532 -12.187 6.180 1.00 0.00 C ATOM 458 C GLY A 30 1.419 -11.909 4.681 1.00 0.00 C ATOM 459 O GLY A 30 1.085 -10.818 4.263 1.00 0.00 O ATOM 0 H GLY A 30 1.709 -14.300 6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.540 -12.261 6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.044 -11.363 6.678 1.00 0.00 H new ATOM 463 N GLN A 31 1.696 -12.892 3.870 1.00 0.00 N ATOM 464 CA GLN A 31 1.608 -12.695 2.398 1.00 0.00 C ATOM 465 C GLN A 31 0.691 -13.761 1.795 1.00 0.00 C ATOM 466 O GLN A 31 0.719 -14.910 2.188 1.00 0.00 O ATOM 467 CB GLN A 31 3.003 -12.822 1.785 1.00 0.00 C ATOM 468 CG GLN A 31 3.785 -11.527 2.025 1.00 0.00 C ATOM 469 CD GLN A 31 5.245 -11.729 1.617 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.616 -12.785 1.143 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.096 -10.754 1.783 1.00 0.00 N ATOM 0 H GLN A 31 1.980 -13.826 4.165 1.00 0.00 H new ATOM 0 HA GLN A 31 1.204 -11.705 2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.531 -13.666 2.228 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.926 -13.020 0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.345 -10.712 1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.726 -11.244 3.076 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.785 -9.868 2.181 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.072 -10.878 1.515 1.00 0.00 H new ATOM 480 N THR A 32 -0.120 -13.391 0.843 1.00 0.00 N ATOM 481 CA THR A 32 -1.032 -14.387 0.217 1.00 0.00 C ATOM 482 C THR A 32 -0.483 -14.785 -1.154 1.00 0.00 C ATOM 483 O THR A 32 0.220 -14.029 -1.794 1.00 0.00 O ATOM 484 CB THR A 32 -2.426 -13.774 0.050 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.824 -13.167 1.271 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.423 -14.872 -0.325 1.00 0.00 C ATOM 0 H THR A 32 -0.190 -12.443 0.472 1.00 0.00 H new ATOM 0 HA THR A 32 -1.099 -15.269 0.854 1.00 0.00 H new ATOM 0 HB THR A 32 -2.402 -13.022 -0.738 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.535 -12.516 1.096 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.415 -14.437 -0.444 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.116 -15.338 -1.261 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.449 -15.625 0.463 1.00 0.00 H new ATOM 494 N TYR A 33 -0.797 -15.966 -1.607 1.00 0.00 N ATOM 495 CA TYR A 33 -0.293 -16.413 -2.935 1.00 0.00 C ATOM 496 C TYR A 33 -1.464 -16.917 -3.777 1.00 0.00 C ATOM 497 O TYR A 33 -2.389 -17.524 -3.275 1.00 0.00 O ATOM 498 CB TYR A 33 0.726 -17.536 -2.738 1.00 0.00 C ATOM 499 CG TYR A 33 1.837 -17.048 -1.837 1.00 0.00 C ATOM 500 CD1 TYR A 33 2.308 -15.734 -1.953 1.00 0.00 C ATOM 501 CD2 TYR A 33 2.393 -17.909 -0.885 1.00 0.00 C ATOM 502 CE1 TYR A 33 3.336 -15.282 -1.116 1.00 0.00 C ATOM 503 CE2 TYR A 33 3.422 -17.458 -0.048 1.00 0.00 C ATOM 504 CZ TYR A 33 3.893 -16.145 -0.163 1.00 0.00 C ATOM 505 OH TYR A 33 4.906 -15.700 0.662 1.00 0.00 O ATOM 0 H TYR A 33 -1.381 -16.642 -1.115 1.00 0.00 H new ATOM 0 HA TYR A 33 0.186 -15.579 -3.448 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.243 -18.409 -2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.132 -17.847 -3.700 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.878 -15.069 -2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.029 -18.922 -0.795 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.699 -14.269 -1.205 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.852 -18.124 0.686 1.00 0.00 H new ATOM 0 HH TYR A 33 4.934 -14.721 0.647 1.00 0.00 H new ATOM 515 N ASN A 34 -1.436 -16.662 -5.055 1.00 0.00 N ATOM 516 CA ASN A 34 -2.550 -17.115 -5.932 1.00 0.00 C ATOM 517 C ASN A 34 -2.699 -18.635 -5.844 1.00 0.00 C ATOM 518 O ASN A 34 -3.611 -19.142 -5.228 1.00 0.00 O ATOM 519 CB ASN A 34 -2.264 -16.706 -7.380 1.00 0.00 C ATOM 520 CG ASN A 34 -1.660 -15.301 -7.403 1.00 0.00 C ATOM 521 OD1 ASN A 34 -2.101 -14.426 -6.685 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.660 -15.049 -8.203 1.00 0.00 N ATOM 0 H ASN A 34 -0.688 -16.158 -5.531 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.478 -16.648 -5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.577 -17.416 -7.841 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.184 -16.727 -7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.248 -14.116 -8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.291 -15.785 -8.805 1.00 0.00 H new ATOM 529 N ASN A 35 -1.820 -19.366 -6.465 1.00 0.00 N ATOM 530 CA ASN A 35 -1.922 -20.853 -6.422 1.00 0.00 C ATOM 531 C ASN A 35 -1.301 -21.383 -5.127 1.00 0.00 C ATOM 532 O ASN A 35 -0.356 -20.822 -4.607 1.00 0.00 O ATOM 533 CB ASN A 35 -1.188 -21.435 -7.635 1.00 0.00 C ATOM 534 CG ASN A 35 -1.016 -22.946 -7.477 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.246 -23.399 -6.654 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.704 -23.751 -8.241 1.00 0.00 N ATOM 0 H ASN A 35 -1.034 -19.000 -7.002 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.970 -21.151 -6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.748 -21.219 -8.545 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.213 -20.960 -7.740 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.595 -24.761 -8.147 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.350 -23.370 -8.932 1.00 0.00 H new ATOM 543 N PRO A 36 -1.842 -22.493 -4.600 1.00 0.00 N ATOM 544 CA PRO A 36 -1.338 -23.115 -3.368 1.00 0.00 C ATOM 545 C PRO A 36 0.090 -23.634 -3.546 1.00 0.00 C ATOM 546 O PRO A 36 0.981 -23.291 -2.794 1.00 0.00 O ATOM 547 CB PRO A 36 -2.309 -24.272 -3.128 1.00 0.00 C ATOM 548 CG PRO A 36 -2.865 -24.569 -4.477 1.00 0.00 C ATOM 549 CD PRO A 36 -2.983 -23.236 -5.159 1.00 0.00 C ATOM 0 HA PRO A 36 -1.292 -22.413 -2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.799 -25.139 -2.708 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.095 -23.993 -2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.210 -25.239 -5.034 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.835 -25.060 -4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.917 -23.327 -6.243 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.933 -22.749 -4.938 1.00 0.00 H new ATOM 557 N CYS A 37 0.327 -24.440 -4.546 1.00 0.00 N ATOM 558 CA CYS A 37 1.708 -24.947 -4.768 1.00 0.00 C ATOM 559 C CYS A 37 2.618 -23.744 -5.019 1.00 0.00 C ATOM 560 O CYS A 37 3.799 -23.771 -4.735 1.00 0.00 O ATOM 561 CB CYS A 37 1.720 -25.878 -5.986 1.00 0.00 C ATOM 562 SG CYS A 37 3.424 -26.148 -6.539 1.00 0.00 S ATOM 0 H CYS A 37 -0.372 -24.766 -5.214 1.00 0.00 H new ATOM 0 HA CYS A 37 2.057 -25.505 -3.899 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.256 -26.831 -5.731 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.131 -25.443 -6.793 1.00 0.00 H new ATOM 567 N MET A 38 2.065 -22.682 -5.540 1.00 0.00 N ATOM 568 CA MET A 38 2.878 -21.463 -5.803 1.00 0.00 C ATOM 569 C MET A 38 3.392 -20.912 -4.472 1.00 0.00 C ATOM 570 O MET A 38 4.324 -20.133 -4.430 1.00 0.00 O ATOM 571 CB MET A 38 2.006 -20.410 -6.494 1.00 0.00 C ATOM 572 CG MET A 38 2.127 -20.565 -8.012 1.00 0.00 C ATOM 573 SD MET A 38 3.819 -20.179 -8.525 1.00 0.00 S ATOM 574 CE MET A 38 3.793 -18.419 -8.101 1.00 0.00 C ATOM 0 H MET A 38 1.080 -22.607 -5.795 1.00 0.00 H new ATOM 0 HA MET A 38 3.721 -21.711 -6.448 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.966 -20.525 -6.188 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.318 -19.410 -6.194 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.870 -21.583 -8.306 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.423 -19.901 -8.513 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.473 -17.876 -8.758 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.782 -18.030 -8.224 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.108 -18.289 -7.066 1.00 0.00 H new ATOM 584 N LEU A 39 2.797 -21.320 -3.382 1.00 0.00 N ATOM 585 CA LEU A 39 3.260 -20.825 -2.057 1.00 0.00 C ATOM 586 C LEU A 39 4.649 -21.393 -1.772 1.00 0.00 C ATOM 587 O LEU A 39 5.577 -20.666 -1.479 1.00 0.00 O ATOM 588 CB LEU A 39 2.289 -21.279 -0.963 1.00 0.00 C ATOM 589 CG LEU A 39 2.789 -20.779 0.394 1.00 0.00 C ATOM 590 CD1 LEU A 39 1.594 -20.415 1.278 1.00 0.00 C ATOM 591 CD2 LEU A 39 3.609 -21.876 1.071 1.00 0.00 C ATOM 0 H LEU A 39 2.013 -21.972 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 39 3.299 -19.736 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.291 -20.889 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.212 -22.366 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 39 3.413 -19.897 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.951 -20.059 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.010 -19.631 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.968 -21.295 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.965 -21.520 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.986 -22.759 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.462 -22.133 0.443 1.00 0.00 H new ATOM 603 N CYS A 40 4.808 -22.685 -1.864 1.00 0.00 N ATOM 604 CA CYS A 40 6.150 -23.277 -1.605 1.00 0.00 C ATOM 605 C CYS A 40 7.188 -22.478 -2.388 1.00 0.00 C ATOM 606 O CYS A 40 8.209 -22.082 -1.866 1.00 0.00 O ATOM 607 CB CYS A 40 6.181 -24.736 -2.060 1.00 0.00 C ATOM 608 SG CYS A 40 4.803 -25.643 -1.316 1.00 0.00 S ATOM 0 H CYS A 40 4.074 -23.351 -2.105 1.00 0.00 H new ATOM 0 HA CYS A 40 6.367 -23.241 -0.538 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.118 -24.788 -3.147 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.127 -25.195 -1.773 1.00 0.00 H new ATOM 613 N HIS A 41 6.928 -22.221 -3.639 1.00 0.00 N ATOM 614 CA HIS A 41 7.895 -21.430 -4.443 1.00 0.00 C ATOM 615 C HIS A 41 8.286 -20.195 -3.637 1.00 0.00 C ATOM 616 O HIS A 41 9.450 -19.893 -3.465 1.00 0.00 O ATOM 617 CB HIS A 41 7.233 -21.001 -5.750 1.00 0.00 C ATOM 618 CG HIS A 41 8.282 -20.846 -6.818 1.00 0.00 C ATOM 619 ND1 HIS A 41 9.038 -21.915 -7.273 1.00 0.00 N ATOM 620 CD2 HIS A 41 8.712 -19.753 -7.530 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.876 -21.447 -8.216 1.00 0.00 C ATOM 622 NE2 HIS A 41 9.718 -20.134 -8.412 1.00 0.00 N ATOM 0 H HIS A 41 6.091 -22.524 -4.137 1.00 0.00 H new ATOM 0 HA HIS A 41 8.779 -22.026 -4.671 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.494 -21.742 -6.056 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.701 -20.060 -5.609 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.971 -22.881 -6.951 1.00 0.00 H new ATOM 0 HD2 HIS A 41 8.327 -18.750 -7.422 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.589 -22.058 -8.750 1.00 0.00 H new ATOM 630 N GLU A 42 7.314 -19.491 -3.124 1.00 0.00 N ATOM 631 CA GLU A 42 7.620 -18.288 -2.308 1.00 0.00 C ATOM 632 C GLU A 42 8.669 -18.662 -1.264 1.00 0.00 C ATOM 633 O GLU A 42 9.405 -17.827 -0.778 1.00 0.00 O ATOM 634 CB GLU A 42 6.345 -17.809 -1.612 1.00 0.00 C ATOM 635 CG GLU A 42 5.369 -17.270 -2.659 1.00 0.00 C ATOM 636 CD GLU A 42 5.874 -15.923 -3.182 1.00 0.00 C ATOM 637 OE1 GLU A 42 6.764 -15.365 -2.563 1.00 0.00 O ATOM 638 OE2 GLU A 42 5.361 -15.474 -4.194 1.00 0.00 O ATOM 0 H GLU A 42 6.322 -19.699 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 42 8.000 -17.488 -2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.888 -18.630 -1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.583 -17.032 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.273 -17.979 -3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.377 -17.154 -2.222 1.00 0.00 H new ATOM 645 N ASN A 43 8.749 -19.921 -0.924 1.00 0.00 N ATOM 646 CA ASN A 43 9.761 -20.357 0.079 1.00 0.00 C ATOM 647 C ASN A 43 11.119 -20.488 -0.613 1.00 0.00 C ATOM 648 O ASN A 43 12.147 -20.161 -0.054 1.00 0.00 O ATOM 649 CB ASN A 43 9.364 -21.709 0.680 1.00 0.00 C ATOM 650 CG ASN A 43 8.060 -21.563 1.468 1.00 0.00 C ATOM 651 OD1 ASN A 43 8.062 -21.605 2.681 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.937 -21.393 0.823 1.00 0.00 N ATOM 0 H ASN A 43 8.158 -20.664 -1.297 1.00 0.00 H new ATOM 0 HA ASN A 43 9.816 -19.619 0.880 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.240 -22.447 -0.112 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.156 -22.073 1.334 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.062 -21.296 1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.935 -21.358 -0.196 1.00 0.00 H new ATOM 659 N LEU A 44 11.130 -20.960 -1.832 1.00 0.00 N ATOM 660 CA LEU A 44 12.421 -21.103 -2.564 1.00 0.00 C ATOM 661 C LEU A 44 12.992 -19.715 -2.853 1.00 0.00 C ATOM 662 O LEU A 44 14.187 -19.502 -2.804 1.00 0.00 O ATOM 663 CB LEU A 44 12.186 -21.842 -3.883 1.00 0.00 C ATOM 664 CG LEU A 44 11.989 -23.334 -3.608 1.00 0.00 C ATOM 665 CD1 LEU A 44 10.622 -23.556 -2.960 1.00 0.00 C ATOM 666 CD2 LEU A 44 12.062 -24.110 -4.926 1.00 0.00 C ATOM 0 H LEU A 44 10.302 -21.252 -2.351 1.00 0.00 H new ATOM 0 HA LEU A 44 13.124 -21.670 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.309 -21.436 -4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.035 -21.694 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 44 12.771 -23.686 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.481 -24.619 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.570 -23.004 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.839 -23.204 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.922 -25.173 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.280 -23.758 -5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.036 -23.952 -5.388 1.00 0.00 H new ATOM 678 N ILE A 45 12.144 -18.767 -3.148 1.00 0.00 N ATOM 679 CA ILE A 45 12.637 -17.392 -3.433 1.00 0.00 C ATOM 680 C ILE A 45 12.992 -16.705 -2.114 1.00 0.00 C ATOM 681 O ILE A 45 14.079 -16.192 -1.940 1.00 0.00 O ATOM 682 CB ILE A 45 11.544 -16.591 -4.146 1.00 0.00 C ATOM 683 CG1 ILE A 45 10.852 -17.477 -5.183 1.00 0.00 C ATOM 684 CG2 ILE A 45 12.173 -15.385 -4.846 1.00 0.00 C ATOM 685 CD1 ILE A 45 9.877 -16.629 -6.003 1.00 0.00 C ATOM 0 H ILE A 45 11.133 -18.886 -3.204 1.00 0.00 H new ATOM 0 HA ILE A 45 13.519 -17.445 -4.071 1.00 0.00 H new ATOM 0 HB ILE A 45 10.811 -16.249 -3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.592 -17.936 -5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.318 -18.288 -4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.396 -14.813 -5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 45 12.665 -14.752 -4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.906 -15.729 -5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.382 -17.257 -6.743 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.130 -16.191 -5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.424 -15.834 -6.510 1.00 0.00 H new ATOM 697 N ARG A 46 12.080 -16.695 -1.181 1.00 0.00 N ATOM 698 CA ARG A 46 12.363 -16.047 0.130 1.00 0.00 C ATOM 699 C ARG A 46 13.354 -16.907 0.918 1.00 0.00 C ATOM 700 O ARG A 46 14.020 -16.437 1.818 1.00 0.00 O ATOM 701 CB ARG A 46 11.061 -15.911 0.923 1.00 0.00 C ATOM 702 CG ARG A 46 10.072 -15.049 0.134 1.00 0.00 C ATOM 703 CD ARG A 46 8.768 -14.918 0.924 1.00 0.00 C ATOM 704 NE ARG A 46 7.739 -14.247 0.080 1.00 0.00 N ATOM 705 CZ ARG A 46 7.986 -13.079 -0.445 1.00 0.00 C ATOM 706 NH1 ARG A 46 8.594 -12.162 0.258 1.00 0.00 N ATOM 707 NH2 ARG A 46 7.627 -12.828 -1.674 1.00 0.00 N ATOM 0 H ARG A 46 11.151 -17.108 -1.270 1.00 0.00 H new ATOM 0 HA ARG A 46 12.791 -15.058 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.633 -16.895 1.111 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.260 -15.459 1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.499 -14.063 -0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.877 -15.499 -0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.416 -15.903 1.231 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.938 -14.343 1.834 1.00 0.00 H new ATOM 0 HE ARG A 46 6.841 -14.701 -0.087 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.876 -12.359 1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.787 -11.249 -0.153 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.153 -13.545 -2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.820 -11.915 -2.085 1.00 0.00 H new ATOM 721 N GLN A 47 13.455 -18.166 0.584 1.00 0.00 N ATOM 722 CA GLN A 47 14.402 -19.058 1.313 1.00 0.00 C ATOM 723 C GLN A 47 13.986 -19.144 2.784 1.00 0.00 C ATOM 724 O GLN A 47 14.813 -19.225 3.671 1.00 0.00 O ATOM 725 CB GLN A 47 15.819 -18.490 1.214 1.00 0.00 C ATOM 726 CG GLN A 47 16.233 -18.407 -0.257 1.00 0.00 C ATOM 727 CD GLN A 47 17.675 -17.902 -0.355 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.209 -17.367 0.597 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.330 -18.049 -1.474 1.00 0.00 N ATOM 0 H GLN A 47 12.923 -18.615 -0.162 1.00 0.00 H new ATOM 0 HA GLN A 47 14.381 -20.053 0.869 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.859 -17.501 1.671 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.515 -19.123 1.764 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.147 -19.387 -0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.564 -17.736 -0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.881 -18.498 -2.272 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.291 -17.715 -1.550 1.00 0.00 H new ATOM 738 N THR A 48 12.708 -19.127 3.047 1.00 0.00 N ATOM 739 CA THR A 48 12.236 -19.207 4.458 1.00 0.00 C ATOM 740 C THR A 48 11.249 -20.368 4.600 1.00 0.00 C ATOM 741 O THR A 48 10.886 -21.009 3.634 1.00 0.00 O ATOM 742 CB THR A 48 11.537 -17.898 4.838 1.00 0.00 C ATOM 743 OG1 THR A 48 10.307 -17.803 4.134 1.00 0.00 O ATOM 744 CG2 THR A 48 12.430 -16.714 4.469 1.00 0.00 C ATOM 0 H THR A 48 11.970 -19.061 2.346 1.00 0.00 H new ATOM 0 HA THR A 48 13.089 -19.370 5.117 1.00 0.00 H new ATOM 0 HB THR A 48 11.347 -17.884 5.911 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.567 -18.027 4.736 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.931 -15.784 4.740 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.375 -16.789 5.007 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.622 -16.724 3.396 1.00 0.00 H new ATOM 752 N ASN A 49 10.810 -20.643 5.798 1.00 0.00 N ATOM 753 CA ASN A 49 9.847 -21.761 5.999 1.00 0.00 C ATOM 754 C ASN A 49 8.419 -21.211 5.992 1.00 0.00 C ATOM 755 O ASN A 49 7.683 -21.358 6.947 1.00 0.00 O ATOM 756 CB ASN A 49 10.126 -22.438 7.342 1.00 0.00 C ATOM 757 CG ASN A 49 11.534 -23.037 7.329 1.00 0.00 C ATOM 758 OD1 ASN A 49 12.106 -23.251 6.277 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.121 -23.318 8.459 1.00 0.00 N ATOM 0 H ASN A 49 11.077 -20.142 6.645 1.00 0.00 H new ATOM 0 HA ASN A 49 9.960 -22.488 5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.035 -21.714 8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.389 -23.219 7.528 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.060 -23.717 8.461 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.642 -23.139 9.341 1.00 0.00 H new ATOM 766 N THR A 50 8.022 -20.578 4.924 1.00 0.00 N ATOM 767 CA THR A 50 6.641 -20.019 4.858 1.00 0.00 C ATOM 768 C THR A 50 5.650 -21.138 4.535 1.00 0.00 C ATOM 769 O THR A 50 5.799 -21.849 3.562 1.00 0.00 O ATOM 770 CB THR A 50 6.573 -18.952 3.763 1.00 0.00 C ATOM 771 OG1 THR A 50 7.602 -17.994 3.971 1.00 0.00 O ATOM 772 CG2 THR A 50 5.209 -18.259 3.810 1.00 0.00 C ATOM 0 H THR A 50 8.593 -20.423 4.093 1.00 0.00 H new ATOM 0 HA THR A 50 6.387 -19.573 5.819 1.00 0.00 H new ATOM 0 HB THR A 50 6.707 -19.421 2.788 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.567 -17.672 4.896 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.160 -17.499 3.030 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.421 -18.995 3.649 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.073 -17.789 4.784 1.00 0.00 H new ATOM 780 N HIS A 51 4.637 -21.295 5.340 1.00 0.00 N ATOM 781 CA HIS A 51 3.634 -22.363 5.074 1.00 0.00 C ATOM 782 C HIS A 51 2.280 -21.718 4.780 1.00 0.00 C ATOM 783 O HIS A 51 2.170 -20.514 4.656 1.00 0.00 O ATOM 784 CB HIS A 51 3.510 -23.266 6.300 1.00 0.00 C ATOM 785 CG HIS A 51 4.879 -23.684 6.758 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.659 -24.769 6.446 1.00 0.00 N flip ATOM 787 CD2 HIS A 51 5.615 -22.938 7.665 1.00 0.00 C flip ATOM 788 CE1 HIS A 51 6.860 -24.701 7.146 1.00 0.00 C flip ATOM 789 NE2 HIS A 51 6.781 -23.578 7.866 1.00 0.00 N flip ATOM 0 H HIS A 51 4.460 -20.730 6.171 1.00 0.00 H new ATOM 0 HA HIS A 51 3.953 -22.958 4.218 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.992 -22.739 7.102 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.912 -24.145 6.058 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.398 -25.513 5.799 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.308 -22.011 8.127 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.679 -25.404 7.114 1.00 0.00 H new ATOM 797 N ILE A 52 1.246 -22.505 4.669 1.00 0.00 N ATOM 798 CA ILE A 52 -0.095 -21.926 4.385 1.00 0.00 C ATOM 799 C ILE A 52 -0.780 -21.552 5.699 1.00 0.00 C ATOM 800 O ILE A 52 -0.949 -22.368 6.583 1.00 0.00 O ATOM 801 CB ILE A 52 -0.954 -22.948 3.640 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.257 -23.352 2.339 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.312 -22.320 3.319 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.233 -24.135 1.458 1.00 0.00 C ATOM 0 H ILE A 52 1.272 -23.520 4.762 1.00 0.00 H new ATOM 0 HA ILE A 52 0.024 -21.035 3.768 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.095 -23.832 4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.094 -22.465 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.620 -23.961 2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.931 -23.043 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.807 -22.031 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.167 -21.438 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.736 -24.423 0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.562 -25.030 1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.097 -23.511 1.228 1.00 0.00 H new ATOM 816 N ARG A 53 -1.177 -20.318 5.826 1.00 0.00 N ATOM 817 CA ARG A 53 -1.857 -19.867 7.071 1.00 0.00 C ATOM 818 C ARG A 53 -3.322 -20.289 7.027 1.00 0.00 C ATOM 819 O ARG A 53 -3.830 -20.924 7.930 1.00 0.00 O ATOM 820 CB ARG A 53 -1.782 -18.343 7.157 1.00 0.00 C ATOM 821 CG ARG A 53 -2.324 -17.881 8.508 1.00 0.00 C ATOM 822 CD ARG A 53 -1.945 -16.416 8.740 1.00 0.00 C ATOM 823 NE ARG A 53 -2.490 -15.965 10.052 1.00 0.00 N ATOM 824 CZ ARG A 53 -2.647 -14.691 10.290 1.00 0.00 C ATOM 825 NH1 ARG A 53 -3.397 -13.969 9.504 1.00 0.00 N ATOM 826 NH2 ARG A 53 -2.055 -14.140 11.315 1.00 0.00 N ATOM 0 H ARG A 53 -1.059 -19.596 5.115 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.370 -20.314 7.938 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.751 -18.012 7.034 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.359 -17.894 6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.408 -17.995 8.535 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.918 -18.503 9.306 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.861 -16.303 8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.341 -15.795 7.936 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.740 -16.652 10.764 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.860 -14.400 8.704 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.520 -12.974 9.689 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.470 -14.705 11.930 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.178 -13.145 11.501 1.00 0.00 H new ATOM 840 N SER A 54 -4.002 -19.932 5.978 1.00 0.00 N ATOM 841 CA SER A 54 -5.438 -20.296 5.856 1.00 0.00 C ATOM 842 C SER A 54 -5.797 -20.437 4.377 1.00 0.00 C ATOM 843 O SER A 54 -5.302 -19.712 3.537 1.00 0.00 O ATOM 844 CB SER A 54 -6.294 -19.195 6.485 1.00 0.00 C ATOM 845 OG SER A 54 -6.324 -18.067 5.622 1.00 0.00 O ATOM 0 H SER A 54 -3.623 -19.400 5.194 1.00 0.00 H new ATOM 0 HA SER A 54 -5.624 -21.240 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.306 -19.561 6.658 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.887 -18.913 7.456 1.00 0.00 H new ATOM 0 HG SER A 54 -6.874 -17.362 6.024 1.00 0.00 H new ATOM 851 N THR A 55 -6.652 -21.365 4.049 1.00 0.00 N ATOM 852 CA THR A 55 -7.033 -21.547 2.622 1.00 0.00 C ATOM 853 C THR A 55 -7.769 -20.301 2.130 1.00 0.00 C ATOM 854 O THR A 55 -8.503 -19.668 2.864 1.00 0.00 O ATOM 855 CB THR A 55 -7.942 -22.770 2.482 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.215 -22.479 3.042 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.318 -23.958 3.214 1.00 0.00 C ATOM 0 H THR A 55 -7.102 -22.003 4.705 1.00 0.00 H new ATOM 0 HA THR A 55 -6.134 -21.699 2.024 1.00 0.00 H new ATOM 0 HB THR A 55 -8.058 -23.018 1.427 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.799 -23.261 2.951 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.966 -24.828 3.114 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.342 -24.180 2.781 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.200 -23.714 4.270 1.00 0.00 H new ATOM 865 N GLY A 56 -7.573 -19.940 0.892 1.00 0.00 N ATOM 866 CA GLY A 56 -8.252 -18.731 0.349 1.00 0.00 C ATOM 867 C GLY A 56 -7.345 -17.518 0.533 1.00 0.00 C ATOM 868 O GLY A 56 -6.421 -17.530 1.323 1.00 0.00 O ATOM 0 H GLY A 56 -6.970 -20.432 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.480 -18.872 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.201 -18.571 0.862 1.00 0.00 H new ATOM 872 N LYS A 57 -7.603 -16.472 -0.192 1.00 0.00 N ATOM 873 CA LYS A 57 -6.761 -15.249 -0.068 1.00 0.00 C ATOM 874 C LYS A 57 -6.876 -14.699 1.354 1.00 0.00 C ATOM 875 O LYS A 57 -7.917 -14.770 1.976 1.00 0.00 O ATOM 876 CB LYS A 57 -7.238 -14.189 -1.061 1.00 0.00 C ATOM 877 CG LYS A 57 -6.269 -13.003 -1.050 1.00 0.00 C ATOM 878 CD LYS A 57 -6.976 -11.758 -1.591 1.00 0.00 C ATOM 879 CE LYS A 57 -5.952 -10.640 -1.800 1.00 0.00 C ATOM 880 NZ LYS A 57 -6.564 -9.329 -1.443 1.00 0.00 N ATOM 0 H LYS A 57 -8.363 -16.408 -0.869 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.723 -15.502 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.297 -14.615 -2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.241 -13.854 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.914 -12.820 -0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.394 -13.230 -1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.474 -11.990 -2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.748 -11.433 -0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.070 -10.821 -1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.619 -10.627 -2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.867 -8.570 -1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.392 -9.156 -2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.860 -9.344 -0.446 1.00 0.00 H new ATOM 894 N CYS A 58 -5.813 -14.154 1.871 1.00 0.00 N ATOM 895 CA CYS A 58 -5.858 -13.601 3.253 1.00 0.00 C ATOM 896 C CYS A 58 -6.500 -12.213 3.230 1.00 0.00 C ATOM 897 O CYS A 58 -6.517 -11.542 2.218 1.00 0.00 O ATOM 898 CB CYS A 58 -4.438 -13.498 3.808 1.00 0.00 C ATOM 899 SG CYS A 58 -4.387 -14.232 5.462 1.00 0.00 S ATOM 0 H CYS A 58 -4.914 -14.067 1.397 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.449 -14.262 3.888 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.739 -14.012 3.148 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.127 -12.454 3.851 1.00 0.00 H new ATOM 904 N GLU A 59 -7.030 -11.779 4.341 1.00 0.00 N ATOM 905 CA GLU A 59 -7.672 -10.434 4.385 1.00 0.00 C ATOM 906 C GLU A 59 -6.759 -9.455 5.126 1.00 0.00 C ATOM 907 O GLU A 59 -5.675 -9.863 5.513 1.00 0.00 O ATOM 908 CB GLU A 59 -9.011 -10.535 5.117 1.00 0.00 C ATOM 909 CG GLU A 59 -9.954 -11.448 4.329 1.00 0.00 C ATOM 910 CD GLU A 59 -10.190 -10.861 2.935 1.00 0.00 C ATOM 911 OE1 GLU A 59 -9.903 -9.691 2.750 1.00 0.00 O ATOM 912 OE2 GLU A 59 -10.654 -11.594 2.078 1.00 0.00 O ATOM 913 OXT GLU A 59 -7.159 -8.315 5.295 1.00 0.00 O ATOM 0 H GLU A 59 -7.046 -12.297 5.220 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.837 -10.077 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.860 -10.930 6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.453 -9.545 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.525 -12.447 4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.902 -11.551 4.857 1.00 0.00 H new TER 920 GLU A 59