USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 LYS NZ :NH3+ -176:sc= -0.116 (180deg=-0.00597) USER MOD Set 1.2: A 63 GLN :FLIP amide:sc= -5.76! C(o=-11!,f=-5.9!) USER MOD Set 2.1: A 17 THR OG1 : rot 100:sc= -0.542 USER MOD Set 2.2: A 22 LYS NZ :NH3+ 148:sc= -6.59! (180deg=-7.39!) USER MOD Set 3.1: A 18 CYS SG : rot 99:sc= 1.02 USER MOD Set 3.2: A 20 SER OG : rot 180:sc= 0.809 USER MOD Set 4.1: A 11 CYS SG : rot -31:sc= -0.269 USER MOD Set 4.2: A 12 HIS : no HE2:sc= -0.555 K(o=-0.82,f=-3) USER MOD Set 5.1: A 5 SER OG : rot -33:sc= 1.24 USER MOD Set 5.2: A 47 LYS NZ :NH3+ 171:sc= 0.498 (180deg=-0.144) USER MOD Single : A 1 CYS N :NH3+ -148:sc= -0.168 (180deg=-1.63) USER MOD Single : A 4 CYS SG : rot -32:sc= 0.963 USER MOD Single : A 9 SER OG : rot -108:sc= 1.07 USER MOD Single : A 13 TYR OH : rot 157:sc= -0.905 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.158 K(o=0.16,f=-7.7!) USER MOD Single : A 33 HIS : no HE2:sc= 0.608 K(o=0.61,f=-3.1!) USER MOD Single : A 34 ASN : amide:sc= -0.269 K(o=-0.27,f=-3.1!) USER MOD Single : A 35 TYR OH : rot 119:sc= 1.97 USER MOD Single : A 37 CYS SG : rot 53:sc= 0.812 USER MOD Single : A 41 ASN : amide:sc= -0.0221 X(o=-0.022,f=0.13) USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= -5.34! (180deg=-5.78!) USER MOD Single : A 52 ASN : amide:sc= -0.818 K(o=-0.82,f=-10!) USER MOD Single : A 58 TYR OH : rot 30:sc= -2.41! USER MOD Single : A 61 CYS SG : rot 66:sc= 0.314 USER MOD Single : A 66 MET CE :methyl 140:sc= -2.76! (180deg=-4.16!) USER MOD Single : A 67 ASN : amide:sc= 0.00406 X(o=0.0041,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -1.770 2.850 -9.260 1.00 0.00 N ATOM 2 CA CYS A 1 -1.470 2.840 -7.830 1.00 0.00 C ATOM 3 C CYS A 1 -0.810 4.170 -7.520 1.00 0.00 C ATOM 4 O CYS A 1 0.330 4.440 -7.900 1.00 0.00 O ATOM 5 CB CYS A 1 -0.760 1.700 -7.250 1.00 0.00 C ATOM 6 SG CYS A 1 -0.360 1.640 -5.460 1.00 0.00 S ATOM 0 H1 CYS A 1 -2.634 2.299 -9.437 1.00 0.00 H new ATOM 0 H2 CYS A 1 -1.913 3.830 -9.578 1.00 0.00 H new ATOM 0 H3 CYS A 1 -0.977 2.429 -9.784 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.426 2.700 -7.325 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.349 0.811 -7.475 1.00 0.00 H new ATOM 0 HB3 CYS A 1 0.182 1.603 -7.790 1.00 0.00 H new ATOM 7 N LEU A 2 -1.560 4.920 -6.740 1.00 0.00 N ATOM 8 CA LEU A 2 -1.130 6.190 -6.120 1.00 0.00 C ATOM 9 C LEU A 2 0.350 6.110 -5.660 1.00 0.00 C ATOM 10 O LEU A 2 1.150 7.010 -5.900 1.00 0.00 O ATOM 11 CB LEU A 2 -1.920 6.990 -5.150 1.00 0.00 C ATOM 12 CG LEU A 2 -2.190 8.090 -6.170 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.210 7.870 -7.210 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.300 9.380 -5.330 1.00 0.00 C ATOM 0 H LEU A 2 -2.520 4.668 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.345 6.804 -6.994 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -2.816 6.490 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -1.357 7.318 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.367 8.139 -6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.273 8.750 -7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.935 7.004 -7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.177 7.693 -6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -2.495 10.227 -5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.117 9.280 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.366 9.545 -4.793 1.00 0.00 H new ATOM 15 N VAL A 3 0.660 4.910 -5.170 1.00 0.00 N ATOM 16 CA VAL A 3 1.930 4.610 -4.520 1.00 0.00 C ATOM 17 C VAL A 3 3.000 4.210 -5.590 1.00 0.00 C ATOM 18 O VAL A 3 3.910 4.930 -5.980 1.00 0.00 O ATOM 19 CB VAL A 3 2.000 3.660 -3.400 1.00 0.00 C ATOM 20 CG1 VAL A 3 3.290 3.210 -2.760 1.00 0.00 C ATOM 21 CG2 VAL A 3 1.080 4.080 -2.290 1.00 0.00 C ATOM 0 H VAL A 3 0.027 4.111 -5.215 1.00 0.00 H new ATOM 0 HA VAL A 3 2.121 5.559 -4.019 1.00 0.00 H new ATOM 0 HB VAL A 3 1.724 2.772 -3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.071 2.508 -1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.916 2.722 -3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.816 4.074 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.147 3.364 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.369 5.068 -1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.055 4.113 -2.660 1.00 0.00 H new ATOM 22 N CYS A 4 2.790 2.970 -6.010 1.00 0.00 N ATOM 23 CA CYS A 4 3.740 2.100 -6.730 1.00 0.00 C ATOM 24 C CYS A 4 3.500 2.020 -8.250 1.00 0.00 C ATOM 25 O CYS A 4 3.980 1.140 -8.950 1.00 0.00 O ATOM 26 CB CYS A 4 4.110 0.840 -6.060 1.00 0.00 C ATOM 27 SG CYS A 4 2.800 -0.440 -5.850 1.00 0.00 S ATOM 0 H CYS A 4 1.896 2.505 -5.852 1.00 0.00 H new ATOM 0 HA CYS A 4 4.681 2.644 -6.654 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.930 0.391 -6.621 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.498 1.088 -5.072 1.00 0.00 H new ATOM 0 HG CYS A 4 1.646 0.140 -5.702 1.00 0.00 H new ATOM 28 N SER A 5 2.490 2.790 -8.640 1.00 0.00 N ATOM 29 CA SER A 5 2.040 3.110 -10.010 1.00 0.00 C ATOM 30 C SER A 5 1.780 2.060 -11.080 1.00 0.00 C ATOM 31 O SER A 5 1.460 2.350 -12.240 1.00 0.00 O ATOM 32 CB SER A 5 2.850 4.320 -10.480 1.00 0.00 C ATOM 33 OG SER A 5 2.270 4.940 -11.630 1.00 0.00 O ATOM 0 H SER A 5 1.904 3.255 -7.947 1.00 0.00 H new ATOM 0 HA SER A 5 0.974 3.296 -9.877 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.917 5.048 -9.671 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.868 4.007 -10.712 1.00 0.00 H new ATOM 0 HG SER A 5 1.841 4.258 -12.188 1.00 0.00 H new ATOM 34 N ASP A 6 1.330 1.000 -10.420 1.00 0.00 N ATOM 35 CA ASP A 6 0.770 -0.270 -10.940 1.00 0.00 C ATOM 36 C ASP A 6 -0.740 0.090 -11.080 1.00 0.00 C ATOM 37 O ASP A 6 -1.480 -0.220 -10.160 1.00 0.00 O ATOM 38 CB ASP A 6 1.040 -1.280 -9.840 1.00 0.00 C ATOM 39 CG ASP A 6 0.590 -2.700 -10.210 1.00 0.00 C ATOM 40 OD1 ASP A 6 1.310 -3.330 -11.010 1.00 0.00 O ATOM 41 OD2 ASP A 6 -0.450 -3.120 -9.660 1.00 0.00 O ATOM 0 H ASP A 6 1.344 0.995 -9.400 1.00 0.00 H new ATOM 0 HA ASP A 6 1.162 -0.670 -11.875 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.107 -1.289 -9.616 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.526 -0.966 -8.931 1.00 0.00 H new ATOM 42 N GLU A 7 -1.110 1.020 -11.980 1.00 0.00 N ATOM 43 CA GLU A 7 -2.510 1.460 -12.240 1.00 0.00 C ATOM 44 C GLU A 7 -3.660 0.910 -11.420 1.00 0.00 C ATOM 45 O GLU A 7 -4.060 -0.250 -11.440 1.00 0.00 O ATOM 46 CB GLU A 7 -2.640 1.420 -13.760 1.00 0.00 C ATOM 47 CG GLU A 7 -3.450 2.640 -14.220 1.00 0.00 C ATOM 48 CD GLU A 7 -2.730 3.980 -14.030 1.00 0.00 C ATOM 49 OE1 GLU A 7 -1.920 4.330 -14.910 1.00 0.00 O ATOM 50 OE2 GLU A 7 -2.970 4.580 -12.960 1.00 0.00 O ATOM 0 H GLU A 7 -0.431 1.505 -12.567 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.650 2.460 -11.830 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.653 1.426 -14.223 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.134 0.500 -14.072 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.699 2.520 -15.274 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.391 2.665 -13.671 1.00 0.00 H new ATOM 51 N ALA A 8 -4.410 1.970 -11.200 1.00 0.00 N ATOM 52 CA ALA A 8 -5.500 2.180 -10.240 1.00 0.00 C ATOM 53 C ALA A 8 -6.920 1.840 -10.710 1.00 0.00 C ATOM 54 O ALA A 8 -7.300 2.010 -11.870 1.00 0.00 O ATOM 55 CB ALA A 8 -5.230 3.620 -9.910 1.00 0.00 C ATOM 0 H ALA A 8 -4.259 2.814 -11.753 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.496 1.498 -9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.964 3.971 -9.184 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.229 3.715 -9.489 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.301 4.221 -10.817 1.00 0.00 H new ATOM 56 N SER A 9 -7.690 1.550 -9.670 1.00 0.00 N ATOM 57 CA SER A 9 -9.120 1.170 -9.740 1.00 0.00 C ATOM 58 C SER A 9 -10.060 2.140 -9.010 1.00 0.00 C ATOM 59 O SER A 9 -11.120 2.470 -9.540 1.00 0.00 O ATOM 60 CB SER A 9 -9.300 -0.250 -9.170 1.00 0.00 C ATOM 61 OG SER A 9 -8.670 -0.350 -7.890 1.00 0.00 O ATOM 0 H SER A 9 -7.336 1.570 -8.714 1.00 0.00 H new ATOM 0 HA SER A 9 -9.399 1.209 -10.793 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.361 -0.482 -9.081 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.870 -0.982 -9.854 1.00 0.00 H new ATOM 0 HG SER A 9 -7.862 -0.899 -7.965 1.00 0.00 H new ATOM 62 N GLY A 10 -9.750 2.450 -7.750 1.00 0.00 N ATOM 63 CA GLY A 10 -10.520 3.410 -6.940 1.00 0.00 C ATOM 64 C GLY A 10 -10.990 2.820 -5.610 1.00 0.00 C ATOM 65 O GLY A 10 -10.450 3.150 -4.560 1.00 0.00 O ATOM 0 H GLY A 10 -8.956 2.043 -7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.906 4.289 -6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.386 3.746 -7.510 1.00 0.00 H new ATOM 66 N CYS A 11 -12.050 2.010 -5.720 1.00 0.00 N ATOM 67 CA CYS A 11 -12.740 1.250 -4.650 1.00 0.00 C ATOM 68 C CYS A 11 -12.360 1.540 -3.190 1.00 0.00 C ATOM 69 O CYS A 11 -11.230 1.290 -2.780 1.00 0.00 O ATOM 70 CB CYS A 11 -12.570 -0.250 -4.940 1.00 0.00 C ATOM 71 SG CYS A 11 -13.590 -1.340 -3.890 1.00 0.00 S ATOM 0 H CYS A 11 -12.488 1.851 -6.627 1.00 0.00 H new ATOM 0 HA CYS A 11 -13.773 1.594 -4.700 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.818 -0.436 -5.985 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -11.521 -0.517 -4.809 1.00 0.00 H new ATOM 0 HG CYS A 11 -13.751 -0.792 -2.722 1.00 0.00 H new ATOM 72 N HIS A 12 -13.430 1.500 -2.400 1.00 0.00 N ATOM 73 CA HIS A 12 -13.490 1.740 -0.920 1.00 0.00 C ATOM 74 C HIS A 12 -12.450 2.570 -0.170 1.00 0.00 C ATOM 75 O HIS A 12 -12.810 3.500 0.560 1.00 0.00 O ATOM 76 CB HIS A 12 -13.520 0.370 -0.240 1.00 0.00 C ATOM 77 CG HIS A 12 -14.870 -0.330 -0.440 1.00 0.00 C ATOM 78 ND1 HIS A 12 -15.130 -1.450 -1.100 1.00 0.00 N ATOM 79 CD2 HIS A 12 -16.020 0.140 0.010 1.00 0.00 C ATOM 80 CE1 HIS A 12 -16.440 -1.660 -1.070 1.00 0.00 C ATOM 81 NE2 HIS A 12 -16.990 -0.670 -0.380 1.00 0.00 N ATOM 0 H HIS A 12 -14.352 1.286 -2.781 1.00 0.00 H new ATOM 0 HA HIS A 12 -14.369 2.382 -0.856 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.723 -0.254 -0.643 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -13.325 0.488 0.826 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -14.440 -2.049 -1.554 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -16.147 1.037 0.599 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -16.964 -2.488 -1.525 1.00 0.00 H new ATOM 82 N TYR A 13 -11.210 2.110 -0.230 1.00 0.00 N ATOM 83 CA TYR A 13 -10.180 2.470 0.760 1.00 0.00 C ATOM 84 C TYR A 13 -9.460 3.700 0.170 1.00 0.00 C ATOM 85 O TYR A 13 -8.560 3.570 -0.660 1.00 0.00 O ATOM 86 CB TYR A 13 -9.250 1.380 1.250 1.00 0.00 C ATOM 87 CG TYR A 13 -9.990 0.040 1.160 1.00 0.00 C ATOM 88 CD1 TYR A 13 -10.920 0.100 2.150 1.00 0.00 C ATOM 89 CD2 TYR A 13 -9.920 -1.050 0.280 1.00 0.00 C ATOM 90 CE1 TYR A 13 -11.780 -1.000 2.450 1.00 0.00 C ATOM 91 CE2 TYR A 13 -10.750 -2.170 0.520 1.00 0.00 C ATOM 92 CZ TYR A 13 -11.660 -2.110 1.600 1.00 0.00 C ATOM 93 OH TYR A 13 -12.580 -3.100 1.720 1.00 0.00 O ATOM 0 H TYR A 13 -10.880 1.478 -0.960 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.675 2.686 1.707 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -8.343 1.354 0.646 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -8.943 1.576 2.277 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -11.011 1.008 2.728 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.246 -1.034 -0.564 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -12.476 -0.979 3.276 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.690 -3.048 -0.106 1.00 0.00 H new ATOM 0 HH TYR A 13 -12.628 -3.606 0.882 1.00 0.00 H new ATOM 94 N GLY A 14 -10.200 4.790 0.330 1.00 0.00 N ATOM 95 CA GLY A 14 -9.870 6.190 -0.020 1.00 0.00 C ATOM 96 C GLY A 14 -9.170 6.360 -1.380 1.00 0.00 C ATOM 97 O GLY A 14 -9.830 6.520 -2.410 1.00 0.00 O ATOM 0 H GLY A 14 -11.130 4.725 0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.789 6.777 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.229 6.604 0.758 1.00 0.00 H new ATOM 98 N VAL A 15 -7.850 6.430 -1.330 1.00 0.00 N ATOM 99 CA VAL A 15 -7.000 6.740 -2.490 1.00 0.00 C ATOM 100 C VAL A 15 -6.900 5.520 -3.420 1.00 0.00 C ATOM 101 O VAL A 15 -6.440 4.440 -3.040 1.00 0.00 O ATOM 102 CB VAL A 15 -5.630 7.350 -2.330 1.00 0.00 C ATOM 103 CG1 VAL A 15 -5.310 8.260 -3.490 1.00 0.00 C ATOM 104 CG2 VAL A 15 -5.670 8.270 -1.190 1.00 0.00 C ATOM 0 H VAL A 15 -7.321 6.272 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.557 7.584 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.915 6.533 -2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.317 8.689 -3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.334 7.689 -4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.048 9.061 -3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.688 8.724 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.408 9.050 -1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.943 7.721 -0.289 1.00 0.00 H new ATOM 105 N LEU A 16 -6.950 5.930 -4.680 1.00 0.00 N ATOM 106 CA LEU A 16 -6.800 5.060 -5.840 1.00 0.00 C ATOM 107 C LEU A 16 -5.430 4.430 -6.100 1.00 0.00 C ATOM 108 O LEU A 16 -4.500 4.940 -6.720 1.00 0.00 O ATOM 109 CB LEU A 16 -7.440 5.590 -7.140 1.00 0.00 C ATOM 110 CG LEU A 16 -7.120 7.050 -7.390 1.00 0.00 C ATOM 111 CD1 LEU A 16 -6.810 7.250 -8.880 1.00 0.00 C ATOM 112 CD2 LEU A 16 -8.250 7.950 -6.890 1.00 0.00 C ATOM 0 H LEU A 16 -7.101 6.907 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.401 4.219 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.089 4.995 -7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.521 5.462 -7.088 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.235 7.339 -6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.579 8.299 -9.066 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.955 6.635 -9.159 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.676 6.958 -9.474 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.996 8.993 -7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.173 7.700 -7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.388 7.800 -5.819 1.00 0.00 H new ATOM 113 N THR A 17 -5.430 3.210 -5.600 1.00 0.00 N ATOM 114 CA THR A 17 -4.320 2.230 -5.630 1.00 0.00 C ATOM 115 C THR A 17 -4.780 1.210 -6.690 1.00 0.00 C ATOM 116 O THR A 17 -5.890 1.250 -7.230 1.00 0.00 O ATOM 117 CB THR A 17 -3.920 1.660 -4.350 1.00 0.00 C ATOM 118 OG1 THR A 17 -4.840 0.690 -3.790 1.00 0.00 O ATOM 119 CG2 THR A 17 -3.470 2.620 -3.260 1.00 0.00 C ATOM 0 H THR A 17 -6.252 2.835 -5.127 1.00 0.00 H new ATOM 0 HA THR A 17 -3.375 2.708 -5.888 1.00 0.00 H new ATOM 0 HB THR A 17 -3.020 1.141 -4.680 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.512 -0.215 -3.973 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.203 2.056 -2.366 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.603 3.183 -3.606 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.281 3.310 -3.025 1.00 0.00 H new ATOM 120 N CYS A 18 -3.890 0.270 -6.990 1.00 0.00 N ATOM 121 CA CYS A 18 -4.250 -0.850 -7.880 1.00 0.00 C ATOM 122 C CYS A 18 -5.470 -1.690 -7.490 1.00 0.00 C ATOM 123 O CYS A 18 -6.410 -1.810 -8.270 1.00 0.00 O ATOM 124 CB CYS A 18 -3.140 -1.840 -8.210 1.00 0.00 C ATOM 125 SG CYS A 18 -1.910 -2.050 -6.860 1.00 0.00 S ATOM 0 H CYS A 18 -2.931 0.251 -6.643 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.491 -0.250 -8.757 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.585 -2.809 -8.438 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.624 -1.507 -9.111 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.188 -3.124 -6.183 1.00 0.00 H new ATOM 126 N GLY A 19 -5.550 -2.000 -6.210 1.00 0.00 N ATOM 127 CA GLY A 19 -6.580 -2.910 -5.660 1.00 0.00 C ATOM 128 C GLY A 19 -5.990 -3.780 -4.540 1.00 0.00 C ATOM 129 O GLY A 19 -6.560 -3.910 -3.470 1.00 0.00 O ATOM 0 H GLY A 19 -4.908 -1.635 -5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.417 -2.329 -5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.972 -3.546 -6.454 1.00 0.00 H new ATOM 130 N SER A 20 -4.830 -4.370 -4.820 1.00 0.00 N ATOM 131 CA SER A 20 -4.080 -5.110 -3.790 1.00 0.00 C ATOM 132 C SER A 20 -3.810 -4.370 -2.480 1.00 0.00 C ATOM 133 O SER A 20 -4.510 -4.700 -1.530 1.00 0.00 O ATOM 134 CB SER A 20 -2.750 -5.620 -4.390 1.00 0.00 C ATOM 135 OG SER A 20 -2.050 -4.500 -4.930 1.00 0.00 O ATOM 0 H SER A 20 -4.387 -4.355 -5.739 1.00 0.00 H new ATOM 0 HA SER A 20 -4.739 -5.929 -3.503 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.150 -6.111 -3.624 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.942 -6.360 -5.167 1.00 0.00 H new ATOM 0 HG SER A 20 -1.201 -4.800 -5.316 1.00 0.00 H new ATOM 136 N CYS A 21 -3.230 -3.170 -2.590 1.00 0.00 N ATOM 137 CA CYS A 21 -2.840 -2.250 -1.500 1.00 0.00 C ATOM 138 C CYS A 21 -4.080 -1.830 -0.670 1.00 0.00 C ATOM 139 O CYS A 21 -4.010 -1.660 0.540 1.00 0.00 O ATOM 140 CB CYS A 21 -2.240 -0.960 -2.030 1.00 0.00 C ATOM 141 SG CYS A 21 -1.110 -1.200 -3.450 1.00 0.00 S ATOM 0 H CYS A 21 -3.002 -2.783 -3.506 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.111 -2.794 -0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.047 -0.291 -2.329 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.697 -0.465 -1.225 1.00 0.00 H new ATOM 142 N LYS A 22 -5.230 -1.890 -1.350 1.00 0.00 N ATOM 143 CA LYS A 22 -6.580 -1.580 -0.850 1.00 0.00 C ATOM 144 C LYS A 22 -7.000 -2.620 0.210 1.00 0.00 C ATOM 145 O LYS A 22 -6.930 -2.360 1.410 1.00 0.00 O ATOM 146 CB LYS A 22 -7.480 -1.500 -2.060 1.00 0.00 C ATOM 147 CG LYS A 22 -7.870 -0.050 -2.360 1.00 0.00 C ATOM 148 CD LYS A 22 -8.630 0.020 -3.680 1.00 0.00 C ATOM 149 CE LYS A 22 -7.880 0.810 -4.750 1.00 0.00 C ATOM 150 NZ LYS A 22 -7.790 2.230 -4.390 1.00 0.00 N ATOM 0 H LYS A 22 -5.247 -2.175 -2.329 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.636 -0.625 -0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.973 -1.930 -2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.378 -2.094 -1.889 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.488 0.344 -1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.977 0.573 -2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.814 -0.991 -4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.604 0.480 -3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.878 0.399 -4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.389 0.706 -5.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.903 2.627 -4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.596 2.744 -4.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.807 2.327 -3.355 1.00 0.00 H new ATOM 151 N VAL A 23 -7.080 -3.850 -0.270 1.00 0.00 N ATOM 152 CA VAL A 23 -7.540 -5.040 0.470 1.00 0.00 C ATOM 153 C VAL A 23 -6.530 -5.360 1.580 1.00 0.00 C ATOM 154 O VAL A 23 -6.860 -5.700 2.720 1.00 0.00 O ATOM 155 CB VAL A 23 -7.610 -6.310 -0.370 1.00 0.00 C ATOM 156 CG1 VAL A 23 -8.360 -7.410 0.330 1.00 0.00 C ATOM 157 CG2 VAL A 23 -8.310 -5.940 -1.620 1.00 0.00 C ATOM 0 H VAL A 23 -6.816 -4.069 -1.231 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.539 -4.786 0.826 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.606 -6.692 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.385 -8.295 -0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.861 -7.651 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.379 -7.082 0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.390 -6.815 -2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.308 -5.572 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.748 -5.160 -2.134 1.00 0.00 H new ATOM 158 N PHE A 24 -5.290 -5.120 1.170 1.00 0.00 N ATOM 159 CA PHE A 24 -4.050 -5.310 1.890 1.00 0.00 C ATOM 160 C PHE A 24 -4.110 -4.600 3.250 1.00 0.00 C ATOM 161 O PHE A 24 -4.320 -5.280 4.230 1.00 0.00 O ATOM 162 CB PHE A 24 -2.970 -4.590 1.030 1.00 0.00 C ATOM 163 CG PHE A 24 -1.610 -4.380 1.570 1.00 0.00 C ATOM 164 CD1 PHE A 24 -1.480 -3.450 2.600 1.00 0.00 C ATOM 165 CD2 PHE A 24 -0.790 -4.280 0.470 1.00 0.00 C ATOM 166 CE1 PHE A 24 -0.670 -2.330 2.490 1.00 0.00 C ATOM 167 CE2 PHE A 24 0.230 -3.290 0.390 1.00 0.00 C ATOM 168 CZ PHE A 24 0.280 -2.350 1.470 1.00 0.00 C ATOM 0 H PHE A 24 -5.119 -4.752 0.234 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.847 -6.368 2.055 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.866 -5.153 0.103 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.368 -3.610 0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.030 -3.607 3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.923 -4.968 -0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.770 -1.488 3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.925 -3.250 -0.436 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.084 -1.630 1.495 1.00 0.00 H new ATOM 169 N PHE A 25 -4.400 -3.300 3.150 1.00 0.00 N ATOM 170 CA PHE A 25 -4.390 -2.290 4.250 1.00 0.00 C ATOM 171 C PHE A 25 -5.460 -2.840 5.200 1.00 0.00 C ATOM 172 O PHE A 25 -5.090 -3.510 6.150 1.00 0.00 O ATOM 173 CB PHE A 25 -4.750 -1.030 3.510 1.00 0.00 C ATOM 174 CG PHE A 25 -4.820 0.250 4.340 1.00 0.00 C ATOM 175 CD1 PHE A 25 -3.900 0.520 5.350 1.00 0.00 C ATOM 176 CD2 PHE A 25 -5.820 1.150 3.990 1.00 0.00 C ATOM 177 CE1 PHE A 25 -4.000 1.740 6.060 1.00 0.00 C ATOM 178 CE2 PHE A 25 -5.860 2.440 4.600 1.00 0.00 C ATOM 179 CZ PHE A 25 -5.020 2.650 5.720 1.00 0.00 C ATOM 0 H PHE A 25 -4.665 -2.885 2.256 1.00 0.00 H new ATOM 0 HA PHE A 25 -3.488 -2.101 4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.020 -0.881 2.714 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.718 -1.180 3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.122 -0.191 5.588 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.565 0.874 3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.303 1.970 6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.503 3.222 4.223 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.165 3.530 6.329 1.00 0.00 H new ATOM 180 N LYS A 26 -6.600 -3.100 4.580 1.00 0.00 N ATOM 181 CA LYS A 26 -7.860 -3.580 5.120 1.00 0.00 C ATOM 182 C LYS A 26 -7.550 -4.790 6.110 1.00 0.00 C ATOM 183 O LYS A 26 -7.460 -4.600 7.320 1.00 0.00 O ATOM 184 CB LYS A 26 -8.800 -3.690 4.110 1.00 0.00 C ATOM 185 CG LYS A 26 -10.300 -3.780 4.300 1.00 0.00 C ATOM 186 CD LYS A 26 -11.010 -5.140 4.150 1.00 0.00 C ATOM 187 CE LYS A 26 -10.960 -5.700 2.730 1.00 0.00 C ATOM 188 NZ LYS A 26 -11.640 -7.000 2.690 1.00 0.00 N ATOM 0 H LYS A 26 -6.671 -2.964 3.572 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.383 -2.885 5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.636 -2.831 3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.521 -4.578 3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.525 -3.404 5.298 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.760 -3.093 3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.552 -5.857 4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.051 -5.033 4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.438 -5.007 2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.925 -5.810 2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.605 -7.380 1.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.166 -7.660 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.632 -6.882 2.980 1.00 0.00 H new ATOM 189 N ARG A 27 -7.070 -5.890 5.510 1.00 0.00 N ATOM 190 CA ARG A 27 -6.650 -7.090 6.240 1.00 0.00 C ATOM 191 C ARG A 27 -5.410 -7.050 7.160 1.00 0.00 C ATOM 192 O ARG A 27 -5.380 -7.680 8.220 1.00 0.00 O ATOM 193 CB ARG A 27 -6.560 -8.360 5.360 1.00 0.00 C ATOM 194 CG ARG A 27 -5.580 -8.190 4.200 1.00 0.00 C ATOM 195 CD ARG A 27 -5.350 -9.480 3.400 1.00 0.00 C ATOM 196 NE ARG A 27 -4.600 -9.100 2.190 1.00 0.00 N ATOM 197 CZ ARG A 27 -4.990 -9.270 0.920 1.00 0.00 C ATOM 198 NH1 ARG A 27 -6.070 -9.970 0.600 1.00 0.00 N ATOM 199 NH2 ARG A 27 -4.230 -8.810 -0.060 1.00 0.00 N ATOM 0 H ARG A 27 -6.963 -5.970 4.499 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.493 -7.125 6.931 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.250 -9.205 5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.548 -8.598 4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.954 -7.417 3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.625 -7.838 4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.791 -10.206 3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.299 -9.946 3.136 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.690 -8.662 2.334 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.634 -10.400 1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.336 -10.078 -0.379 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.356 -8.331 0.155 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.518 -8.935 -1.030 1.00 0.00 H new ATOM 200 N ALA A 28 -4.470 -6.200 6.770 1.00 0.00 N ATOM 201 CA ALA A 28 -3.170 -5.860 7.350 1.00 0.00 C ATOM 202 C ALA A 28 -3.450 -5.240 8.760 1.00 0.00 C ATOM 203 O ALA A 28 -3.210 -5.880 9.780 1.00 0.00 O ATOM 204 CB ALA A 28 -2.460 -4.950 6.430 1.00 0.00 C ATOM 0 H ALA A 28 -4.621 -5.656 5.921 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.520 -6.725 7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.489 -4.690 6.852 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.317 -5.443 5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.049 -4.044 6.288 1.00 0.00 H new ATOM 205 N VAL A 29 -4.320 -4.240 8.660 1.00 0.00 N ATOM 206 CA VAL A 29 -4.910 -3.270 9.590 1.00 0.00 C ATOM 207 C VAL A 29 -5.430 -4.160 10.770 1.00 0.00 C ATOM 208 O VAL A 29 -4.820 -4.390 11.810 1.00 0.00 O ATOM 209 CB VAL A 29 -5.730 -2.250 9.010 1.00 0.00 C ATOM 210 CG1 VAL A 29 -6.370 -1.310 10.000 1.00 0.00 C ATOM 211 CG2 VAL A 29 -4.800 -1.490 8.120 1.00 0.00 C ATOM 0 H VAL A 29 -4.704 -4.056 7.733 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.203 -2.544 9.992 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.575 -2.710 8.498 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.971 -0.573 9.466 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.008 -1.876 10.679 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.594 -0.800 10.571 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.344 -0.683 7.630 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.988 -1.072 8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.389 -2.161 7.366 1.00 0.00 H new ATOM 212 N GLU A 30 -6.370 -4.880 10.190 1.00 0.00 N ATOM 213 CA GLU A 30 -7.250 -5.890 10.830 1.00 0.00 C ATOM 214 C GLU A 30 -6.500 -6.930 11.680 1.00 0.00 C ATOM 215 O GLU A 30 -6.880 -7.140 12.830 1.00 0.00 O ATOM 216 CB GLU A 30 -8.010 -6.540 9.670 1.00 0.00 C ATOM 217 CG GLU A 30 -9.500 -6.440 9.540 1.00 0.00 C ATOM 218 CD GLU A 30 -9.980 -5.940 8.170 1.00 0.00 C ATOM 219 OE1 GLU A 30 -10.000 -6.770 7.230 1.00 0.00 O ATOM 220 OE2 GLU A 30 -10.310 -4.740 8.080 1.00 0.00 O ATOM 0 H GLU A 30 -6.568 -4.783 9.194 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.913 -5.413 11.552 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.587 -6.135 8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.767 -7.602 9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.937 -7.421 9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.877 -5.769 10.312 1.00 0.00 H new ATOM 221 N GLY A 31 -5.530 -7.600 11.060 1.00 0.00 N ATOM 222 CA GLY A 31 -4.720 -8.650 11.670 1.00 0.00 C ATOM 223 C GLY A 31 -3.560 -8.120 12.560 1.00 0.00 C ATOM 224 O GLY A 31 -3.560 -8.360 13.770 1.00 0.00 O ATOM 0 H GLY A 31 -5.279 -7.420 10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.366 -9.287 12.274 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.302 -9.276 10.882 1.00 0.00 H new ATOM 225 N GLN A 32 -2.600 -7.410 11.980 1.00 0.00 N ATOM 226 CA GLN A 32 -1.410 -6.880 12.680 1.00 0.00 C ATOM 227 C GLN A 32 -0.820 -5.790 11.750 1.00 0.00 C ATOM 228 O GLN A 32 -0.040 -6.090 10.840 1.00 0.00 O ATOM 229 CB GLN A 32 -0.410 -7.990 12.960 1.00 0.00 C ATOM 230 CG GLN A 32 0.560 -7.580 14.070 1.00 0.00 C ATOM 231 CD GLN A 32 1.580 -6.540 13.600 1.00 0.00 C ATOM 232 OE1 GLN A 32 1.510 -5.370 13.940 1.00 0.00 O ATOM 233 NE2 GLN A 32 2.510 -6.960 12.760 1.00 0.00 N ATOM 0 H GLN A 32 -2.617 -7.175 10.988 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.666 -6.459 13.652 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.939 -8.898 13.250 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.146 -8.222 12.052 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.004 -7.177 14.911 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.086 -8.463 14.433 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.548 -7.943 12.491 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.190 -6.301 12.381 1.00 0.00 H new ATOM 234 N HIS A 33 -1.380 -4.580 11.840 1.00 0.00 N ATOM 235 CA HIS A 33 -0.940 -3.400 11.080 1.00 0.00 C ATOM 236 C HIS A 33 0.530 -2.990 10.970 1.00 0.00 C ATOM 237 O HIS A 33 0.890 -2.360 9.980 1.00 0.00 O ATOM 238 CB HIS A 33 -1.810 -2.200 11.490 1.00 0.00 C ATOM 239 CG HIS A 33 -2.170 -2.130 12.970 1.00 0.00 C ATOM 240 ND1 HIS A 33 -3.130 -2.770 13.640 1.00 0.00 N ATOM 241 CD2 HIS A 33 -1.470 -1.400 13.800 1.00 0.00 C ATOM 242 CE1 HIS A 33 -2.990 -2.440 14.920 1.00 0.00 C ATOM 243 NE2 HIS A 33 -1.970 -1.590 15.030 1.00 0.00 N ATOM 0 H HIS A 33 -2.170 -4.386 12.456 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.078 -3.753 10.058 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.287 -1.283 11.217 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.732 -2.226 10.910 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.835 -3.393 13.246 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.639 -0.760 13.541 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.601 -2.801 15.734 1.00 0.00 H new ATOM 244 N ASN A 34 1.370 -3.290 11.970 1.00 0.00 N ATOM 245 CA ASN A 34 2.820 -3.020 11.860 1.00 0.00 C ATOM 246 C ASN A 34 3.330 -3.950 10.750 1.00 0.00 C ATOM 247 O ASN A 34 3.670 -5.100 11.000 1.00 0.00 O ATOM 248 CB ASN A 34 3.630 -3.080 13.140 1.00 0.00 C ATOM 249 CG ASN A 34 5.150 -2.970 12.960 1.00 0.00 C ATOM 250 OD1 ASN A 34 5.690 -2.740 11.880 1.00 0.00 O ATOM 251 ND2 ASN A 34 5.890 -3.280 14.010 1.00 0.00 N ATOM 0 H ASN A 34 1.082 -3.713 12.853 1.00 0.00 H new ATOM 0 HA ASN A 34 2.965 -1.969 11.611 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.299 -2.276 13.798 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.408 -4.019 13.647 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.905 -3.328 13.922 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.446 -3.472 14.908 1.00 0.00 H new ATOM 252 N TYR A 35 3.750 -3.330 9.650 1.00 0.00 N ATOM 253 CA TYR A 35 3.820 -4.120 8.420 1.00 0.00 C ATOM 254 C TYR A 35 5.330 -4.370 8.080 1.00 0.00 C ATOM 255 O TYR A 35 5.690 -4.470 6.910 1.00 0.00 O ATOM 256 CB TYR A 35 3.090 -3.460 7.280 1.00 0.00 C ATOM 257 CG TYR A 35 2.410 -4.400 6.320 1.00 0.00 C ATOM 258 CD1 TYR A 35 1.620 -5.540 6.650 1.00 0.00 C ATOM 259 CD2 TYR A 35 2.180 -3.660 5.170 1.00 0.00 C ATOM 260 CE1 TYR A 35 0.590 -5.890 5.760 1.00 0.00 C ATOM 261 CE2 TYR A 35 1.320 -4.150 4.180 1.00 0.00 C ATOM 262 CZ TYR A 35 0.550 -5.290 4.500 1.00 0.00 C ATOM 263 OH TYR A 35 -0.100 -5.980 3.530 1.00 0.00 O ATOM 0 H TYR A 35 4.030 -2.352 9.579 1.00 0.00 H new ATOM 0 HA TYR A 35 3.318 -5.075 8.576 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.341 -2.784 7.693 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.799 -2.848 6.722 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.805 -6.111 7.547 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.665 -2.704 5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.160 -6.613 6.047 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.248 -3.676 3.212 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.858 -5.451 3.204 1.00 0.00 H new ATOM 264 N LEU A 36 6.170 -4.330 9.120 1.00 0.00 N ATOM 265 CA LEU A 36 7.640 -4.450 9.120 1.00 0.00 C ATOM 266 C LEU A 36 8.340 -4.520 7.740 1.00 0.00 C ATOM 267 O LEU A 36 8.150 -5.470 6.980 1.00 0.00 O ATOM 268 CB LEU A 36 8.140 -5.620 9.970 1.00 0.00 C ATOM 269 CG LEU A 36 9.630 -5.450 10.280 1.00 0.00 C ATOM 270 CD1 LEU A 36 9.910 -4.140 11.020 1.00 0.00 C ATOM 271 CD2 LEU A 36 10.130 -6.650 11.090 1.00 0.00 C ATOM 0 H LEU A 36 5.812 -4.202 10.067 1.00 0.00 H new ATOM 0 HA LEU A 36 7.926 -3.495 9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.572 -5.673 10.899 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.976 -6.559 9.442 1.00 0.00 H new ATOM 0 HG LEU A 36 10.171 -5.405 9.335 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.978 -4.057 11.221 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.590 -3.299 10.405 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.361 -4.130 11.962 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.191 -6.525 11.308 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.572 -6.716 12.024 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.983 -7.564 10.515 1.00 0.00 H new ATOM 272 N CYS A 37 9.180 -3.530 7.440 1.00 0.00 N ATOM 273 CA CYS A 37 9.990 -3.530 6.200 1.00 0.00 C ATOM 274 C CYS A 37 11.140 -4.520 6.160 1.00 0.00 C ATOM 275 O CYS A 37 12.250 -4.290 6.640 1.00 0.00 O ATOM 276 CB CYS A 37 10.440 -2.090 5.950 1.00 0.00 C ATOM 277 SG CYS A 37 11.340 -1.790 4.380 1.00 0.00 S ATOM 0 H CYS A 37 9.325 -2.713 8.033 1.00 0.00 H new ATOM 0 HA CYS A 37 9.358 -3.892 5.389 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.560 -1.447 5.970 1.00 0.00 H new ATOM 0 HB3 CYS A 37 11.079 -1.781 6.777 1.00 0.00 H new ATOM 0 HG CYS A 37 10.638 -2.242 3.384 1.00 0.00 H new ATOM 278 N ALA A 38 10.630 -5.710 5.910 1.00 0.00 N ATOM 279 CA ALA A 38 11.300 -7.010 5.730 1.00 0.00 C ATOM 280 C ALA A 38 11.770 -6.930 4.260 1.00 0.00 C ATOM 281 O ALA A 38 12.920 -6.570 3.990 1.00 0.00 O ATOM 282 CB ALA A 38 10.480 -8.150 6.100 1.00 0.00 C ATOM 0 H ALA A 38 9.620 -5.815 5.815 1.00 0.00 H new ATOM 0 HA ALA A 38 12.139 -7.185 6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.042 -9.070 5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 38 10.203 -8.073 7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.579 -8.164 5.487 1.00 0.00 H new ATOM 283 N GLY A 39 10.740 -7.050 3.420 1.00 0.00 N ATOM 284 CA GLY A 39 10.750 -7.040 1.960 1.00 0.00 C ATOM 285 C GLY A 39 12.140 -6.890 1.310 1.00 0.00 C ATOM 286 O GLY A 39 12.620 -7.790 0.630 1.00 0.00 O ATOM 0 H GLY A 39 9.793 -7.167 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.299 -7.966 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.116 -6.223 1.615 1.00 0.00 H new ATOM 287 N ARG A 40 12.520 -5.630 1.260 1.00 0.00 N ATOM 288 CA ARG A 40 13.870 -5.160 0.930 1.00 0.00 C ATOM 289 C ARG A 40 14.080 -3.900 1.780 1.00 0.00 C ATOM 290 O ARG A 40 13.360 -2.920 1.590 1.00 0.00 O ATOM 291 CB ARG A 40 14.280 -5.080 -0.490 1.00 0.00 C ATOM 292 CG ARG A 40 13.230 -4.710 -1.560 1.00 0.00 C ATOM 293 CD ARG A 40 13.870 -4.720 -2.950 1.00 0.00 C ATOM 294 NE ARG A 40 13.040 -5.510 -3.880 1.00 0.00 N ATOM 295 CZ ARG A 40 13.470 -6.350 -4.820 1.00 0.00 C ATOM 296 NH1 ARG A 40 14.750 -6.450 -5.160 1.00 0.00 N ATOM 297 NH2 ARG A 40 12.580 -7.040 -5.530 1.00 0.00 N ATOM 0 H ARG A 40 11.876 -4.864 1.455 1.00 0.00 H new ATOM 0 HA ARG A 40 14.584 -5.943 1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.087 -4.351 -0.557 1.00 0.00 H new ATOM 0 HB3 ARG A 40 14.701 -6.047 -0.765 1.00 0.00 H new ATOM 0 HG2 ARG A 40 12.401 -5.417 -1.528 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.816 -3.724 -1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.974 -3.700 -3.319 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.873 -5.143 -2.895 1.00 0.00 H new ATOM 0 HE ARG A 40 12.029 -5.401 -3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.448 -5.869 -4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.035 -7.107 -5.886 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.583 -6.922 -5.351 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.895 -7.687 -6.253 1.00 0.00 H new ATOM 298 N ASN A 41 14.630 -4.170 2.970 1.00 0.00 N ATOM 299 CA ASN A 41 14.990 -3.140 3.960 1.00 0.00 C ATOM 300 C ASN A 41 15.980 -2.090 3.390 1.00 0.00 C ATOM 301 O ASN A 41 17.180 -2.080 3.650 1.00 0.00 O ATOM 302 CB ASN A 41 15.480 -3.670 5.320 1.00 0.00 C ATOM 303 CG ASN A 41 15.520 -2.560 6.380 1.00 0.00 C ATOM 304 OD1 ASN A 41 14.530 -2.120 6.940 1.00 0.00 O ATOM 305 ND2 ASN A 41 16.690 -1.960 6.520 1.00 0.00 N ATOM 0 H ASN A 41 14.841 -5.119 3.279 1.00 0.00 H new ATOM 0 HA ASN A 41 14.039 -2.650 4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 41 14.822 -4.471 5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 41 16.475 -4.101 5.206 1.00 0.00 H new ATOM 0 HD21 ASN A 41 16.768 -1.124 7.099 1.00 0.00 H new ATOM 0 HD22 ASN A 41 17.514 -2.333 6.049 1.00 0.00 H new ATOM 306 N ASP A 42 15.430 -1.490 2.350 1.00 0.00 N ATOM 307 CA ASP A 42 15.910 -0.380 1.510 1.00 0.00 C ATOM 308 C ASP A 42 14.800 0.090 0.540 1.00 0.00 C ATOM 309 O ASP A 42 14.850 -0.090 -0.670 1.00 0.00 O ATOM 310 CB ASP A 42 17.250 -0.590 0.820 1.00 0.00 C ATOM 311 CG ASP A 42 17.380 -1.840 -0.080 1.00 0.00 C ATOM 312 OD1 ASP A 42 16.710 -2.860 0.190 1.00 0.00 O ATOM 313 OD2 ASP A 42 18.210 -1.760 -1.010 1.00 0.00 O ATOM 0 H ASP A 42 14.516 -1.803 2.023 1.00 0.00 H new ATOM 0 HA ASP A 42 16.133 0.426 2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 42 17.461 0.290 0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 42 18.023 -0.641 1.587 1.00 0.00 H new ATOM 314 N CYS A 43 13.690 0.270 1.240 1.00 0.00 N ATOM 315 CA CYS A 43 12.360 0.760 0.800 1.00 0.00 C ATOM 316 C CYS A 43 12.350 2.070 0.010 1.00 0.00 C ATOM 317 O CYS A 43 13.030 3.040 0.340 1.00 0.00 O ATOM 318 CB CYS A 43 11.500 0.620 2.000 1.00 0.00 C ATOM 319 SG CYS A 43 10.110 1.770 2.340 1.00 0.00 S ATOM 0 H CYS A 43 13.681 0.059 2.238 1.00 0.00 H new ATOM 0 HA CYS A 43 11.935 0.167 -0.009 1.00 0.00 H new ATOM 0 HB2 CYS A 43 11.077 -0.384 1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 43 12.160 0.660 2.866 1.00 0.00 H new ATOM 320 N ILE A 44 11.160 2.060 -0.570 1.00 0.00 N ATOM 321 CA ILE A 44 10.500 3.010 -1.500 1.00 0.00 C ATOM 322 C ILE A 44 10.090 2.210 -2.750 1.00 0.00 C ATOM 323 O ILE A 44 10.830 2.010 -3.700 1.00 0.00 O ATOM 324 CB ILE A 44 10.830 4.480 -1.550 1.00 0.00 C ATOM 325 CG1 ILE A 44 10.510 4.980 -0.130 1.00 0.00 C ATOM 326 CG2 ILE A 44 9.950 5.190 -2.570 1.00 0.00 C ATOM 327 CD1 ILE A 44 11.000 6.390 0.150 1.00 0.00 C ATOM 0 H ILE A 44 10.532 1.278 -0.382 1.00 0.00 H new ATOM 0 HA ILE A 44 9.615 3.421 -1.014 1.00 0.00 H new ATOM 0 HB ILE A 44 11.862 4.669 -1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.431 4.943 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.958 4.299 0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.202 6.250 -2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.114 4.757 -3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.903 5.072 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.737 6.671 1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.083 6.429 0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.532 7.083 -0.549 1.00 0.00 H new ATOM 328 N ILE A 45 8.910 1.630 -2.550 1.00 0.00 N ATOM 329 CA ILE A 45 8.150 0.850 -3.540 1.00 0.00 C ATOM 330 C ILE A 45 7.700 1.780 -4.680 1.00 0.00 C ATOM 331 O ILE A 45 7.560 1.370 -5.830 1.00 0.00 O ATOM 332 CB ILE A 45 6.990 0.120 -2.810 1.00 0.00 C ATOM 333 CG1 ILE A 45 6.250 -0.990 -3.480 1.00 0.00 C ATOM 334 CG2 ILE A 45 6.120 1.120 -2.010 1.00 0.00 C ATOM 335 CD1 ILE A 45 5.850 -1.960 -2.350 1.00 0.00 C ATOM 0 H ILE A 45 8.429 1.690 -1.653 1.00 0.00 H new ATOM 0 HA ILE A 45 8.759 0.076 -4.008 1.00 0.00 H new ATOM 0 HB ILE A 45 7.527 -0.524 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.371 -0.615 -4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.876 -1.488 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.315 0.582 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.737 1.625 -1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.695 1.858 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.301 -2.802 -2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.747 -2.325 -1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.219 -1.439 -1.630 1.00 0.00 H new ATOM 336 N ASP A 46 7.210 2.920 -4.230 1.00 0.00 N ATOM 337 CA ASP A 46 6.960 4.160 -4.960 1.00 0.00 C ATOM 338 C ASP A 46 7.670 4.260 -6.330 1.00 0.00 C ATOM 339 O ASP A 46 8.890 4.370 -6.380 1.00 0.00 O ATOM 340 CB ASP A 46 6.730 5.450 -4.310 1.00 0.00 C ATOM 341 CG ASP A 46 6.720 5.570 -2.770 1.00 0.00 C ATOM 342 OD1 ASP A 46 6.420 4.550 -2.110 1.00 0.00 O ATOM 343 OD2 ASP A 46 7.060 6.670 -2.270 1.00 0.00 O ATOM 0 H ASP A 46 6.950 3.015 -3.248 1.00 0.00 H new ATOM 0 HA ASP A 46 5.900 3.941 -5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.493 6.135 -4.679 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.769 5.821 -4.666 1.00 0.00 H new ATOM 344 N LYS A 47 6.830 4.260 -7.360 1.00 0.00 N ATOM 345 CA LYS A 47 7.110 4.450 -8.800 1.00 0.00 C ATOM 346 C LYS A 47 8.170 3.540 -9.440 1.00 0.00 C ATOM 347 O LYS A 47 8.180 3.350 -10.650 1.00 0.00 O ATOM 348 CB LYS A 47 7.280 5.950 -8.900 1.00 0.00 C ATOM 349 CG LYS A 47 7.310 6.480 -10.350 1.00 0.00 C ATOM 350 CD LYS A 47 6.000 6.290 -11.100 1.00 0.00 C ATOM 351 CE LYS A 47 5.090 7.510 -10.910 1.00 0.00 C ATOM 352 NZ LYS A 47 3.890 7.380 -11.760 1.00 0.00 N ATOM 0 H LYS A 47 5.833 4.113 -7.203 1.00 0.00 H new ATOM 0 HA LYS A 47 6.306 4.095 -9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.465 6.435 -8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.206 6.235 -8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.558 7.541 -10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.107 5.974 -10.895 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.200 6.140 -12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.495 5.393 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.797 7.597 -9.864 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.631 8.421 -11.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.209 8.127 -11.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.161 7.471 -12.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.453 6.449 -11.604 1.00 0.00 H new ATOM 353 N ILE A 48 8.780 2.750 -8.580 1.00 0.00 N ATOM 354 CA ILE A 48 9.850 1.790 -8.890 1.00 0.00 C ATOM 355 C ILE A 48 9.280 0.350 -9.040 1.00 0.00 C ATOM 356 O ILE A 48 9.960 -0.600 -9.440 1.00 0.00 O ATOM 357 CB ILE A 48 10.890 1.940 -7.830 1.00 0.00 C ATOM 358 CG1 ILE A 48 12.270 1.560 -8.360 1.00 0.00 C ATOM 359 CG2 ILE A 48 10.840 1.060 -6.590 1.00 0.00 C ATOM 360 CD1 ILE A 48 13.370 2.640 -8.320 1.00 0.00 C ATOM 0 H ILE A 48 8.538 2.751 -7.589 1.00 0.00 H new ATOM 0 HA ILE A 48 10.315 1.992 -9.855 1.00 0.00 H new ATOM 0 HB ILE A 48 10.695 2.978 -7.559 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.623 0.699 -7.792 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.155 1.235 -9.394 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.673 1.310 -5.933 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.900 1.226 -6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.911 0.013 -6.884 1.00 0.00 H new ATOM 0 HD11 ILE A 48 14.295 2.232 -8.727 1.00 0.00 H new ATOM 0 HD12 ILE A 48 13.059 3.498 -8.916 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.534 2.954 -7.289 1.00 0.00 H new ATOM 361 N ARG A 49 8.170 0.240 -8.330 1.00 0.00 N ATOM 362 CA ARG A 49 7.270 -0.920 -8.130 1.00 0.00 C ATOM 363 C ARG A 49 7.940 -2.190 -7.590 1.00 0.00 C ATOM 364 O ARG A 49 7.820 -3.290 -8.120 1.00 0.00 O ATOM 365 CB ARG A 49 6.310 -1.120 -9.310 1.00 0.00 C ATOM 366 CG ARG A 49 6.980 -1.410 -10.660 1.00 0.00 C ATOM 367 CD ARG A 49 6.170 -0.820 -11.810 1.00 0.00 C ATOM 368 NE ARG A 49 6.270 0.660 -11.800 1.00 0.00 N ATOM 369 CZ ARG A 49 5.350 1.530 -12.230 1.00 0.00 C ATOM 370 NH1 ARG A 49 4.250 1.130 -12.870 1.00 0.00 N ATOM 371 NH2 ARG A 49 5.600 2.830 -12.140 1.00 0.00 N ATOM 0 H ARG A 49 7.824 1.048 -7.813 1.00 0.00 H new ATOM 0 HA ARG A 49 6.632 -0.653 -7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.636 -1.944 -9.073 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.696 -0.225 -9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.987 -0.992 -10.668 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.081 -2.487 -10.796 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.536 -1.210 -12.760 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.126 -1.122 -11.722 1.00 0.00 H new ATOM 0 HE ARG A 49 7.132 1.056 -11.425 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.093 0.137 -13.043 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.566 1.817 -13.186 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.484 3.153 -11.747 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.908 3.506 -12.464 1.00 0.00 H new ATOM 372 N ARG A 50 8.480 -1.990 -6.400 1.00 0.00 N ATOM 373 CA ARG A 50 9.120 -3.050 -5.600 1.00 0.00 C ATOM 374 C ARG A 50 8.130 -3.720 -4.640 1.00 0.00 C ATOM 375 O ARG A 50 8.270 -3.740 -3.420 1.00 0.00 O ATOM 376 CB ARG A 50 10.380 -2.500 -4.910 1.00 0.00 C ATOM 377 CG ARG A 50 11.670 -3.020 -5.540 1.00 0.00 C ATOM 378 CD ARG A 50 12.070 -2.480 -6.920 1.00 0.00 C ATOM 379 NE ARG A 50 11.250 -2.960 -8.050 1.00 0.00 N ATOM 380 CZ ARG A 50 11.180 -4.200 -8.550 1.00 0.00 C ATOM 381 NH1 ARG A 50 11.790 -5.240 -8.010 1.00 0.00 N ATOM 382 NH2 ARG A 50 10.380 -4.420 -9.590 1.00 0.00 N ATOM 0 H ARG A 50 8.492 -1.077 -5.945 1.00 0.00 H new ATOM 0 HA ARG A 50 9.446 -3.850 -6.265 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.370 -1.411 -4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.360 -2.773 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.487 -2.809 -4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.590 -4.104 -5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.020 -1.391 -6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.110 -2.747 -7.108 1.00 0.00 H new ATOM 0 HE ARG A 50 10.664 -2.260 -8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.351 -5.121 -7.167 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.700 -6.162 -8.436 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.838 -3.653 -9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.309 -5.356 -9.990 1.00 0.00 H new ATOM 383 N LYS A 51 7.280 -4.500 -5.300 1.00 0.00 N ATOM 384 CA LYS A 51 6.070 -5.140 -4.730 1.00 0.00 C ATOM 385 C LYS A 51 6.310 -6.060 -3.520 1.00 0.00 C ATOM 386 O LYS A 51 5.440 -6.210 -2.670 1.00 0.00 O ATOM 387 CB LYS A 51 5.250 -5.880 -5.790 1.00 0.00 C ATOM 388 CG LYS A 51 6.000 -7.010 -6.510 1.00 0.00 C ATOM 389 CD LYS A 51 6.570 -6.570 -7.860 1.00 0.00 C ATOM 390 CE LYS A 51 8.070 -6.860 -7.980 1.00 0.00 C ATOM 391 NZ LYS A 51 8.830 -5.800 -7.300 1.00 0.00 N ATOM 0 H LYS A 51 7.409 -4.721 -6.287 1.00 0.00 H new ATOM 0 HA LYS A 51 5.500 -4.292 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.361 -6.297 -5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.907 -5.159 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.812 -7.365 -5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.324 -7.851 -6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.038 -7.083 -8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.397 -5.502 -7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.301 -7.829 -7.537 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.358 -6.913 -9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.839 -5.890 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.483 -4.870 -7.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.706 -5.889 -6.271 1.00 0.00 H new ATOM 392 N ASN A 52 7.500 -6.670 -3.450 1.00 0.00 N ATOM 393 CA ASN A 52 7.870 -7.590 -2.340 1.00 0.00 C ATOM 394 C ASN A 52 8.020 -6.960 -0.950 1.00 0.00 C ATOM 395 O ASN A 52 8.180 -7.670 0.040 1.00 0.00 O ATOM 396 CB ASN A 52 9.150 -8.310 -2.780 1.00 0.00 C ATOM 397 CG ASN A 52 10.340 -7.380 -3.070 1.00 0.00 C ATOM 398 OD1 ASN A 52 10.240 -6.370 -3.760 1.00 0.00 O ATOM 399 ND2 ASN A 52 11.490 -7.690 -2.490 1.00 0.00 N ATOM 0 H ASN A 52 8.234 -6.549 -4.148 1.00 0.00 H new ATOM 0 HA ASN A 52 7.035 -8.273 -2.186 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.439 -9.017 -2.002 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.934 -8.892 -3.676 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.303 -7.087 -2.615 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.562 -8.532 -1.919 1.00 0.00 H new ATOM 400 N CYS A 53 7.960 -5.630 -0.880 1.00 0.00 N ATOM 401 CA CYS A 53 8.160 -4.920 0.380 1.00 0.00 C ATOM 402 C CYS A 53 6.870 -4.290 0.960 1.00 0.00 C ATOM 403 O CYS A 53 6.310 -3.370 0.380 1.00 0.00 O ATOM 404 CB CYS A 53 9.360 -4.020 0.220 1.00 0.00 C ATOM 405 SG CYS A 53 9.970 -3.090 1.680 1.00 0.00 S ATOM 0 H CYS A 53 7.775 -5.025 -1.680 1.00 0.00 H new ATOM 0 HA CYS A 53 8.396 -5.619 1.183 1.00 0.00 H new ATOM 0 HB2 CYS A 53 10.184 -4.631 -0.150 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.127 -3.295 -0.559 1.00 0.00 H new ATOM 406 N PRO A 54 6.580 -4.620 2.230 1.00 0.00 N ATOM 407 CA PRO A 54 5.270 -4.440 2.890 1.00 0.00 C ATOM 408 C PRO A 54 4.960 -3.030 3.440 1.00 0.00 C ATOM 409 O PRO A 54 4.270 -2.260 2.780 1.00 0.00 O ATOM 410 CB PRO A 54 5.290 -5.520 3.990 1.00 0.00 C ATOM 411 CG PRO A 54 6.670 -6.200 3.910 1.00 0.00 C ATOM 412 CD PRO A 54 7.540 -5.170 3.180 1.00 0.00 C ATOM 0 HA PRO A 54 4.460 -4.545 2.168 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.133 -5.076 4.973 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.491 -6.245 3.836 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.063 -6.426 4.901 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.621 -7.142 3.364 1.00 0.00 H new ATOM 0 HD2 PRO A 54 7.934 -4.410 3.855 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.395 -5.630 2.684 1.00 0.00 H new ATOM 413 N ALA A 55 5.620 -2.620 4.530 1.00 0.00 N ATOM 414 CA ALA A 55 5.370 -1.390 5.300 1.00 0.00 C ATOM 415 C ALA A 55 5.580 -0.100 4.460 1.00 0.00 C ATOM 416 O ALA A 55 4.690 0.740 4.380 1.00 0.00 O ATOM 417 CB ALA A 55 6.200 -1.380 6.550 1.00 0.00 C ATOM 0 H ALA A 55 6.386 -3.167 4.922 1.00 0.00 H new ATOM 0 HA ALA A 55 4.317 -1.392 5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.005 -0.465 7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.943 -2.243 7.165 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.256 -1.425 6.286 1.00 0.00 H new ATOM 418 N CYS A 56 6.370 -0.430 3.450 1.00 0.00 N ATOM 419 CA CYS A 56 7.000 0.260 2.310 1.00 0.00 C ATOM 420 C CYS A 56 5.840 1.070 1.660 1.00 0.00 C ATOM 421 O CYS A 56 5.760 2.300 1.710 1.00 0.00 O ATOM 422 CB CYS A 56 7.590 -0.740 1.440 1.00 0.00 C ATOM 423 SG CYS A 56 8.720 -0.320 0.050 1.00 0.00 S ATOM 0 H CYS A 56 6.647 -1.410 3.399 1.00 0.00 H new ATOM 0 HA CYS A 56 7.814 0.937 2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 56 8.136 -1.428 2.086 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.761 -1.300 1.006 1.00 0.00 H new ATOM 424 N ARG A 57 4.810 0.280 1.350 1.00 0.00 N ATOM 425 CA ARG A 57 3.630 0.740 0.620 1.00 0.00 C ATOM 426 C ARG A 57 2.510 1.300 1.500 1.00 0.00 C ATOM 427 O ARG A 57 2.080 2.430 1.280 1.00 0.00 O ATOM 428 CB ARG A 57 3.200 -0.490 -0.130 1.00 0.00 C ATOM 429 CG ARG A 57 2.010 -0.300 -1.090 1.00 0.00 C ATOM 430 CD ARG A 57 2.160 -1.140 -2.360 1.00 0.00 C ATOM 431 NE ARG A 57 2.200 -2.590 -2.070 1.00 0.00 N ATOM 432 CZ ARG A 57 2.600 -3.560 -2.890 1.00 0.00 C ATOM 433 NH1 ARG A 57 2.890 -3.340 -4.170 1.00 0.00 N ATOM 434 NH2 ARG A 57 2.640 -4.810 -2.440 1.00 0.00 N ATOM 0 H ARG A 57 4.773 -0.708 1.602 1.00 0.00 H new ATOM 0 HA ARG A 57 3.864 1.592 -0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.050 -0.861 -0.702 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.941 -1.263 0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.086 -0.574 -0.581 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.926 0.753 -1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.329 -0.929 -3.033 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.073 -0.850 -2.880 1.00 0.00 H new ATOM 0 HE ARG A 57 1.888 -2.878 -1.143 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.809 -2.400 -4.557 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.193 -4.112 -4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.367 -5.015 -1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.944 -5.564 -3.056 1.00 0.00 H new ATOM 435 N TYR A 58 2.230 0.590 2.590 1.00 0.00 N ATOM 436 CA TYR A 58 1.170 0.920 3.550 1.00 0.00 C ATOM 437 C TYR A 58 1.420 2.360 4.050 1.00 0.00 C ATOM 438 O TYR A 58 0.570 3.220 3.840 1.00 0.00 O ATOM 439 CB TYR A 58 1.200 -0.090 4.680 1.00 0.00 C ATOM 440 CG TYR A 58 0.190 0.040 5.810 1.00 0.00 C ATOM 441 CD1 TYR A 58 -0.160 1.260 6.420 1.00 0.00 C ATOM 442 CD2 TYR A 58 -0.280 -1.200 6.250 1.00 0.00 C ATOM 443 CE1 TYR A 58 -1.010 1.230 7.530 1.00 0.00 C ATOM 444 CE2 TYR A 58 -1.230 -1.220 7.290 1.00 0.00 C ATOM 445 CZ TYR A 58 -1.520 -0.010 7.960 1.00 0.00 C ATOM 446 OH TYR A 58 -2.280 -0.040 9.080 1.00 0.00 O ATOM 0 H TYR A 58 2.745 -0.254 2.840 1.00 0.00 H new ATOM 0 HA TYR A 58 0.180 0.875 3.096 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.077 -1.080 4.240 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.196 -0.059 5.123 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.219 2.197 6.039 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.075 -2.118 5.805 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.271 2.141 8.048 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.725 -2.138 7.569 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.755 0.812 9.176 1.00 0.00 H new ATOM 447 N ARG A 59 2.670 2.640 4.420 1.00 0.00 N ATOM 448 CA ARG A 59 3.030 3.980 4.910 1.00 0.00 C ATOM 449 C ARG A 59 2.780 5.090 3.880 1.00 0.00 C ATOM 450 O ARG A 59 1.970 5.970 4.150 1.00 0.00 O ATOM 451 CB ARG A 59 4.440 4.050 5.520 1.00 0.00 C ATOM 452 CG ARG A 59 5.610 3.740 4.590 1.00 0.00 C ATOM 453 CD ARG A 59 6.800 3.600 5.510 1.00 0.00 C ATOM 454 NE ARG A 59 7.810 2.640 5.020 1.00 0.00 N ATOM 455 CZ ARG A 59 8.470 1.750 5.760 1.00 0.00 C ATOM 456 NH1 ARG A 59 8.260 1.620 7.070 1.00 0.00 N ATOM 457 NH2 ARG A 59 9.400 0.990 5.200 1.00 0.00 N ATOM 0 H ARG A 59 3.441 1.973 4.393 1.00 0.00 H new ATOM 0 HA ARG A 59 2.341 4.172 5.732 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.585 5.051 5.926 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.481 3.357 6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.436 2.824 4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.762 4.539 3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.269 4.576 5.637 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.454 3.282 6.494 1.00 0.00 H new ATOM 0 HE ARG A 59 8.022 2.660 4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.575 2.213 7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.784 0.927 7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.608 1.088 4.206 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.908 0.307 5.763 1.00 0.00 H new ATOM 458 N LYS A 60 3.070 4.790 2.620 1.00 0.00 N ATOM 459 CA LYS A 60 2.840 5.780 1.570 1.00 0.00 C ATOM 460 C LYS A 60 1.420 5.890 1.040 1.00 0.00 C ATOM 461 O LYS A 60 1.020 6.950 0.590 1.00 0.00 O ATOM 462 CB LYS A 60 3.840 5.530 0.420 1.00 0.00 C ATOM 463 CG LYS A 60 5.310 5.670 0.840 1.00 0.00 C ATOM 464 CD LYS A 60 5.760 7.140 0.920 1.00 0.00 C ATOM 465 CE LYS A 60 7.200 7.240 1.440 1.00 0.00 C ATOM 466 NZ LYS A 60 7.230 7.200 2.920 1.00 0.00 N ATOM 0 H LYS A 60 3.453 3.899 2.304 1.00 0.00 H new ATOM 0 HA LYS A 60 3.003 6.748 2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.679 4.528 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.634 6.232 -0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.455 5.195 1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.941 5.138 0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.691 7.600 -0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.091 7.695 1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.794 6.420 1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.655 8.166 1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.206 7.337 3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.626 7.956 3.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.879 6.278 3.250 1.00 0.00 H new ATOM 467 N CYS A 61 0.600 4.900 1.400 1.00 0.00 N ATOM 468 CA CYS A 61 -0.860 4.970 1.200 1.00 0.00 C ATOM 469 C CYS A 61 -1.450 5.980 2.170 1.00 0.00 C ATOM 470 O CYS A 61 -2.120 6.910 1.720 1.00 0.00 O ATOM 471 CB CYS A 61 -1.430 3.570 1.410 1.00 0.00 C ATOM 472 SG CYS A 61 -0.920 2.310 0.180 1.00 0.00 S ATOM 0 H CYS A 61 0.919 4.034 1.834 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.112 5.302 0.193 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -1.136 3.223 2.401 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.518 3.636 1.405 1.00 0.00 H new ATOM 0 HG CYS A 61 0.358 2.094 0.284 1.00 0.00 H new ATOM 473 N LEU A 62 -0.800 6.070 3.330 1.00 0.00 N ATOM 474 CA LEU A 62 -1.210 6.980 4.430 1.00 0.00 C ATOM 475 C LEU A 62 -0.840 8.440 4.060 1.00 0.00 C ATOM 476 O LEU A 62 -1.590 9.380 4.290 1.00 0.00 O ATOM 477 CB LEU A 62 -0.670 6.630 5.780 1.00 0.00 C ATOM 478 CG LEU A 62 -0.750 5.140 6.040 1.00 0.00 C ATOM 479 CD1 LEU A 62 -0.010 4.880 7.320 1.00 0.00 C ATOM 480 CD2 LEU A 62 -2.200 4.670 6.150 1.00 0.00 C ATOM 0 H LEU A 62 0.030 5.518 3.546 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.290 6.863 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.367 6.958 5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.230 7.165 6.547 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.307 4.587 5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.041 3.815 7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.027 5.198 7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.478 5.439 8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.221 3.596 6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.690 5.191 6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.724 4.887 5.219 1.00 0.00 H new ATOM 481 N GLN A 63 0.320 8.530 3.420 1.00 0.00 N ATOM 482 CA GLN A 63 1.100 9.670 2.930 1.00 0.00 C ATOM 483 C GLN A 63 0.390 10.280 1.710 1.00 0.00 C ATOM 484 O GLN A 63 0.500 11.470 1.410 1.00 0.00 O ATOM 485 CB GLN A 63 2.500 9.230 2.910 1.00 0.00 C ATOM 486 CG GLN A 63 3.040 8.860 4.270 1.00 0.00 C ATOM 487 CD GLN A 63 4.450 8.230 4.190 1.00 0.00 C ATOM 488 OE1 GLN A 63 5.450 9.000 3.840 1.00 0.00 O flip ATOM 489 NE2 GLN A 63 4.670 7.060 4.470 1.00 0.00 N flip ATOM 0 H GLN A 63 0.815 7.667 3.197 1.00 0.00 H new ATOM 0 HA GLN A 63 1.153 10.564 3.551 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.592 8.370 2.246 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.115 10.025 2.489 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.077 9.750 4.898 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.358 8.159 4.751 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.901 6.448 4.744 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.622 6.696 4.429 1.00 0.00 H new ATOM 490 N ALA A 64 -0.270 9.380 1.010 1.00 0.00 N ATOM 491 CA ALA A 64 -1.140 9.670 -0.150 1.00 0.00 C ATOM 492 C ALA A 64 -2.470 10.280 0.320 1.00 0.00 C ATOM 493 O ALA A 64 -3.170 10.970 -0.410 1.00 0.00 O ATOM 494 CB ALA A 64 -1.390 8.400 -0.940 1.00 0.00 C ATOM 0 H ALA A 64 -0.225 8.385 1.228 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.639 10.392 -0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.032 8.622 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.440 8.000 -1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.878 7.664 -0.301 1.00 0.00 H new ATOM 495 N GLY A 65 -2.900 9.610 1.380 1.00 0.00 N ATOM 496 CA GLY A 65 -3.960 9.930 2.330 1.00 0.00 C ATOM 497 C GLY A 65 -5.160 8.960 2.240 1.00 0.00 C ATOM 498 O GLY A 65 -6.340 9.300 2.250 1.00 0.00 O ATOM 0 H GLY A 65 -2.462 8.722 1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.554 9.906 3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.307 10.947 2.150 1.00 0.00 H new ATOM 499 N MET A 66 -4.720 7.720 2.050 1.00 0.00 N ATOM 500 CA MET A 66 -5.570 6.540 1.940 1.00 0.00 C ATOM 501 C MET A 66 -6.190 6.030 3.270 1.00 0.00 C ATOM 502 O MET A 66 -5.460 5.580 4.150 1.00 0.00 O ATOM 503 CB MET A 66 -4.870 5.330 1.330 1.00 0.00 C ATOM 504 CG MET A 66 -5.770 4.580 0.360 1.00 0.00 C ATOM 505 SD MET A 66 -5.060 3.080 -0.410 1.00 0.00 S ATOM 506 CE MET A 66 -5.520 1.750 0.690 1.00 0.00 C ATOM 0 H MET A 66 -3.727 7.502 1.965 1.00 0.00 H new ATOM 0 HA MET A 66 -6.357 6.922 1.289 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.969 5.656 0.810 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.553 4.656 2.125 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.680 4.295 0.888 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.064 5.266 -0.434 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.804 0.875 0.105 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.675 1.499 1.331 1.00 0.00 H new ATOM 0 HE3 MET A 66 -6.363 2.063 1.307 1.00 0.00 H new ATOM 507 N ASN A 67 -7.520 6.050 3.330 1.00 0.00 N ATOM 508 CA ASN A 67 -8.210 5.460 4.470 1.00 0.00 C ATOM 509 C ASN A 67 -9.220 4.350 4.150 1.00 0.00 C ATOM 510 O ASN A 67 -10.010 4.500 3.220 1.00 0.00 O ATOM 511 CB ASN A 67 -8.950 6.420 5.460 1.00 0.00 C ATOM 512 CG ASN A 67 -9.540 5.690 6.670 1.00 0.00 C ATOM 513 OD1 ASN A 67 -8.820 5.150 7.510 1.00 0.00 O ATOM 514 ND2 ASN A 67 -10.840 5.460 6.670 1.00 0.00 N ATOM 0 H ASN A 67 -8.128 6.458 2.620 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.319 5.061 4.955 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.253 7.183 5.807 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.749 6.936 4.928 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.247 4.835 7.366 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -11.437 5.907 5.974 1.00 0.00 H new ATOM 515 N LEU A 68 -9.080 3.260 4.910 1.00 0.00 N ATOM 516 CA LEU A 68 -9.860 2.000 4.970 1.00 0.00 C ATOM 517 C LEU A 68 -11.380 2.310 5.160 1.00 0.00 C ATOM 518 O LEU A 68 -11.860 2.310 6.290 1.00 0.00 O ATOM 519 CB LEU A 68 -9.230 0.810 5.500 1.00 0.00 C ATOM 520 CG LEU A 68 -8.810 0.900 6.960 1.00 0.00 C ATOM 521 CD1 LEU A 68 -9.750 -0.040 7.680 1.00 0.00 C ATOM 522 CD2 LEU A 68 -7.410 0.360 7.060 1.00 0.00 C ATOM 0 H LEU A 68 -8.320 3.227 5.590 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.835 1.509 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.918 -0.028 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.350 0.584 4.898 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.842 1.911 7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.520 -0.040 8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.778 0.289 7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.631 -1.048 7.283 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.074 0.409 8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.395 -0.676 6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.745 0.955 6.435 1.00 0.00 H new ATOM 523 N GLU A 69 -11.940 2.890 4.100 1.00 0.00 N ATOM 524 CA GLU A 69 -13.380 3.160 3.850 1.00 0.00 C ATOM 525 C GLU A 69 -13.610 4.670 3.890 1.00 0.00 C ATOM 526 O GLU A 69 -13.240 5.360 4.840 1.00 0.00 O ATOM 527 CB GLU A 69 -14.390 2.400 4.720 1.00 0.00 C ATOM 528 CG GLU A 69 -14.920 1.220 3.880 1.00 0.00 C ATOM 529 CD GLU A 69 -16.070 1.660 2.950 1.00 0.00 C ATOM 530 OE1 GLU A 69 -15.890 2.620 2.160 1.00 0.00 O ATOM 531 OE2 GLU A 69 -17.140 1.030 3.070 1.00 0.00 O ATOM 0 H GLU A 69 -11.364 3.214 3.323 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.588 2.755 2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.916 2.040 5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.207 3.055 5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.108 0.802 3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.269 0.428 4.543 1.00 0.00 H new ATOM 532 N ALA A 70 -13.870 5.170 2.690 1.00 0.00 N ATOM 533 CA ALA A 70 -14.250 6.580 2.460 1.00 0.00 C ATOM 534 C ALA A 70 -15.400 6.740 1.450 1.00 0.00 C ATOM 535 O ALA A 70 -15.670 7.840 0.960 1.00 0.00 O ATOM 536 CB ALA A 70 -13.010 7.370 2.040 1.00 0.00 C ATOM 0 H ALA A 70 -13.826 4.615 1.835 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.637 6.982 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -13.283 8.411 1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.260 7.317 2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.602 6.946 1.122 1.00 0.00 H new ATOM 537 N ARG A 71 -16.140 5.650 1.240 1.00 0.00 N ATOM 538 CA ARG A 71 -17.290 5.610 0.320 1.00 0.00 C ATOM 539 C ARG A 71 -18.580 5.450 1.140 1.00 0.00 C ATOM 540 O ARG A 71 -19.510 6.230 0.870 1.00 0.00 O ATOM 541 CB ARG A 71 -17.180 4.470 -0.690 1.00 0.00 C ATOM 542 CG ARG A 71 -15.950 4.490 -1.600 1.00 0.00 C ATOM 543 CD ARG A 71 -15.810 5.760 -2.450 1.00 0.00 C ATOM 544 NE ARG A 71 -14.980 6.760 -1.760 1.00 0.00 N ATOM 545 CZ ARG A 71 -13.660 6.950 -1.890 1.00 0.00 C ATOM 546 NH1 ARG A 71 -12.880 6.110 -2.570 1.00 0.00 N ATOM 547 NH2 ARG A 71 -13.070 7.940 -1.240 1.00 0.00 N ATOM 548 OXT ARG A 71 -18.590 4.570 2.030 1.00 0.00 O ATOM 0 H ARG A 71 -15.961 4.760 1.705 1.00 0.00 H new ATOM 0 HA ARG A 71 -17.305 6.543 -0.243 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -17.187 3.527 -0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.071 4.481 -1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.057 4.379 -0.985 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.990 3.626 -2.263 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.363 5.512 -3.413 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.796 6.177 -2.654 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.464 7.378 -1.109 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -13.284 5.286 -3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.879 6.291 -2.645 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.620 8.556 -0.642 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.065 8.087 -1.337 1.00 0.00 H new TER 549 ARG A 71 HETATM 550 ZN ZN A 72 -0.145 -0.513 -5.405 1.00 0.00 ZN HETATM 551 ZN ZN A 73 10.035 -0.858 2.113 1.00 0.00 ZN