USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=18 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 47 LYS NZ :NH3+ -115:sc= -1.83 (180deg=-5.5!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ -127:sc= -3.89 (180deg=-3.6!) USER MOD Set 2.1: A 17 THR OG1 : rot -148:sc= 0.45 USER MOD Set 2.2: A 22 LYS NZ :NH3+ -173:sc= 1.45 (180deg=1.24) USER MOD Set 3.1: A 11 CYS SG : rot 85:sc= 1.12 USER MOD Set 3.2: A 12 HIS : no HD1:sc= 0.792 K(o=1.9,f=-0.95) USER MOD Single : A 1 CYS N :NH3+ 176:sc= -1.09 (180deg=-1.21) USER MOD Single : A 5 SER OG : rot 180:sc= -0.694 USER MOD Single : A 9 SER OG : rot -86:sc=9.84e-05 USER MOD Single : A 13 TYR OH : rot 130:sc= -1.16 USER MOD Single : A 20 SER OG : rot -140:sc= -0.0331 USER MOD Single : A 26 LYS NZ :NH3+ 171:sc=-0.00424 (180deg=-0.0854) USER MOD Single : A 32 GLN : amide:sc= -0.754 X(o=-0.75,f=-0.59) USER MOD Single : A 33 HIS : no HE2:sc= 0.219 K(o=0.22,f=-0.82) USER MOD Single : A 34 ASN : amide:sc= 0.321 K(o=0.32,f=-2.6!) USER MOD Single : A 35 TYR OH : rot 140:sc= 1.96 USER MOD Single : A 41 ASN : amide:sc= 0.185 X(o=0.18,f=-0.061) USER MOD Single : A 52 ASN : amide:sc= 0.446 K(o=0.45,f=-2.1!) USER MOD Single : A 56 CYS SG : rot 100:sc= -5.84! USER MOD Single : A 58 TYR OH : rot 30:sc= -1.09 USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0.15 (180deg=0.0999) USER MOD Single : A 61 CYS SG : rot -80:sc= -1.27 USER MOD Single : A 63 GLN : amide:sc= -0.659 K(o=-0.66,f=-2.1!) USER MOD Single : A 66 MET CE :methyl -154:sc= -3.32 (180deg=-3.63!) USER MOD Single : A 67 ASN : amide:sc= 0.597 K(o=0.6,f=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -1.540 2.990 -9.450 1.00 0.00 N ATOM 2 CA CYS A 1 -1.200 2.990 -8.020 1.00 0.00 C ATOM 3 C CYS A 1 -0.460 4.330 -7.870 1.00 0.00 C ATOM 4 O CYS A 1 0.680 4.470 -8.310 1.00 0.00 O ATOM 5 CB CYS A 1 -0.790 1.730 -7.360 1.00 0.00 C ATOM 6 SG CYS A 1 -0.510 1.730 -5.540 1.00 0.00 S ATOM 0 H1 CYS A 1 -1.994 2.088 -9.699 1.00 0.00 H new ATOM 0 H2 CYS A 1 -2.193 3.774 -9.652 1.00 0.00 H new ATOM 0 H3 CYS A 1 -0.673 3.108 -10.013 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.044 2.958 -7.332 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.552 0.981 -7.576 1.00 0.00 H new ATOM 0 HB3 CYS A 1 0.131 1.393 -7.835 1.00 0.00 H new ATOM 7 N LEU A 2 -1.080 5.200 -7.080 1.00 0.00 N ATOM 8 CA LEU A 2 -0.520 6.510 -6.670 1.00 0.00 C ATOM 9 C LEU A 2 0.890 6.310 -6.090 1.00 0.00 C ATOM 10 O LEU A 2 1.830 7.080 -6.260 1.00 0.00 O ATOM 11 CB LEU A 2 -1.420 7.230 -5.690 1.00 0.00 C ATOM 12 CG LEU A 2 -1.940 8.150 -6.780 1.00 0.00 C ATOM 13 CD1 LEU A 2 -3.190 8.930 -6.370 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.000 9.240 -7.280 1.00 0.00 C ATOM 0 H LEU A 2 -2.006 5.023 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 2 -0.454 7.145 -7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -2.181 6.601 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -0.894 7.738 -4.882 1.00 0.00 H new ATOM 0 HG LEU A 2 -2.109 7.412 -7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.508 9.567 -7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -3.989 8.232 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -2.965 9.547 -5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.498 9.822 -8.056 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.729 9.895 -6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.099 8.784 -7.691 1.00 0.00 H new ATOM 15 N VAL A 3 1.010 5.090 -5.590 1.00 0.00 N ATOM 16 CA VAL A 3 2.120 4.570 -4.790 1.00 0.00 C ATOM 17 C VAL A 3 3.150 3.820 -5.690 1.00 0.00 C ATOM 18 O VAL A 3 4.330 4.160 -5.790 1.00 0.00 O ATOM 19 CB VAL A 3 1.780 3.830 -3.560 1.00 0.00 C ATOM 20 CG1 VAL A 3 2.600 2.830 -2.780 1.00 0.00 C ATOM 21 CG2 VAL A 3 1.140 4.850 -2.610 1.00 0.00 C ATOM 0 H VAL A 3 0.288 4.385 -5.740 1.00 0.00 H new ATOM 0 HA VAL A 3 2.588 5.464 -4.377 1.00 0.00 H new ATOM 0 HB VAL A 3 1.215 3.030 -4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.028 2.483 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.844 1.982 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.521 3.303 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.866 4.357 -1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.851 5.650 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.247 5.269 -3.074 1.00 0.00 H new ATOM 22 N CYS A 4 2.630 2.640 -6.040 1.00 0.00 N ATOM 23 CA CYS A 4 3.360 1.540 -6.710 1.00 0.00 C ATOM 24 C CYS A 4 3.510 1.650 -8.240 1.00 0.00 C ATOM 25 O CYS A 4 4.140 0.820 -8.890 1.00 0.00 O ATOM 26 CB CYS A 4 3.330 0.140 -6.200 1.00 0.00 C ATOM 27 SG CYS A 4 1.790 -0.840 -6.450 1.00 0.00 S ATOM 0 H CYS A 4 1.653 2.408 -5.861 1.00 0.00 H new ATOM 0 HA CYS A 4 4.310 1.826 -6.258 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.151 -0.403 -6.668 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.536 0.170 -5.130 1.00 0.00 H new ATOM 28 N SER A 5 2.610 2.480 -8.730 1.00 0.00 N ATOM 29 CA SER A 5 2.440 2.920 -10.130 1.00 0.00 C ATOM 30 C SER A 5 1.940 1.960 -11.210 1.00 0.00 C ATOM 31 O SER A 5 1.750 2.280 -12.390 1.00 0.00 O ATOM 32 CB SER A 5 3.660 3.730 -10.550 1.00 0.00 C ATOM 33 OG SER A 5 4.770 2.880 -10.840 1.00 0.00 O ATOM 0 H SER A 5 1.913 2.908 -8.120 1.00 0.00 H new ATOM 0 HA SER A 5 1.535 3.525 -10.077 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.418 4.328 -11.428 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.929 4.425 -9.755 1.00 0.00 H new ATOM 0 HG SER A 5 5.539 3.426 -11.108 1.00 0.00 H new ATOM 34 N ASP A 6 1.300 0.990 -10.580 1.00 0.00 N ATOM 35 CA ASP A 6 0.540 -0.150 -11.120 1.00 0.00 C ATOM 36 C ASP A 6 -0.900 0.400 -11.310 1.00 0.00 C ATOM 37 O ASP A 6 -1.700 0.170 -10.410 1.00 0.00 O ATOM 38 CB ASP A 6 0.630 -1.210 -10.020 1.00 0.00 C ATOM 39 CG ASP A 6 0.000 -2.560 -10.380 1.00 0.00 C ATOM 40 OD1 ASP A 6 -0.050 -2.890 -11.580 1.00 0.00 O ATOM 41 OD2 ASP A 6 -0.430 -3.230 -9.410 1.00 0.00 O ATOM 0 H ASP A 6 1.293 0.970 -9.560 1.00 0.00 H new ATOM 0 HA ASP A 6 0.885 -0.576 -12.062 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.679 -1.369 -9.772 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.145 -0.825 -9.123 1.00 0.00 H new ATOM 42 N GLU A 7 -1.180 1.330 -12.220 1.00 0.00 N ATOM 43 CA GLU A 7 -2.520 1.870 -12.490 1.00 0.00 C ATOM 44 C GLU A 7 -3.760 1.260 -11.860 1.00 0.00 C ATOM 45 O GLU A 7 -4.190 0.130 -12.050 1.00 0.00 O ATOM 46 CB GLU A 7 -2.500 2.040 -14.020 1.00 0.00 C ATOM 47 CG GLU A 7 -2.790 3.470 -14.480 1.00 0.00 C ATOM 48 CD GLU A 7 -4.250 3.910 -14.330 1.00 0.00 C ATOM 49 OE1 GLU A 7 -5.050 3.590 -15.240 1.00 0.00 O ATOM 50 OE2 GLU A 7 -4.540 4.550 -13.290 1.00 0.00 O ATOM 0 H GLU A 7 -0.460 1.745 -12.812 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.672 2.795 -11.935 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.524 1.736 -14.398 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.236 1.369 -14.462 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.159 4.154 -13.913 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.502 3.565 -15.527 1.00 0.00 H new ATOM 51 N ALA A 8 -4.440 2.320 -11.440 1.00 0.00 N ATOM 52 CA ALA A 8 -5.530 2.350 -10.450 1.00 0.00 C ATOM 53 C ALA A 8 -6.990 2.750 -10.760 1.00 0.00 C ATOM 54 O ALA A 8 -7.330 3.440 -11.720 1.00 0.00 O ATOM 55 CB ALA A 8 -4.790 3.280 -9.550 1.00 0.00 C ATOM 0 H ALA A 8 -4.236 3.251 -11.803 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.865 1.360 -10.141 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.397 3.495 -8.671 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.853 2.818 -9.240 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.578 4.208 -10.081 1.00 0.00 H new ATOM 56 N SER A 9 -7.670 2.580 -9.630 1.00 0.00 N ATOM 57 CA SER A 9 -9.090 2.830 -9.340 1.00 0.00 C ATOM 58 C SER A 9 -9.180 3.610 -8.030 1.00 0.00 C ATOM 59 O SER A 9 -8.270 3.550 -7.200 1.00 0.00 O ATOM 60 CB SER A 9 -9.820 1.490 -9.180 1.00 0.00 C ATOM 61 OG SER A 9 -9.270 0.710 -8.120 1.00 0.00 O ATOM 0 H SER A 9 -7.193 2.225 -8.801 1.00 0.00 H new ATOM 0 HA SER A 9 -9.547 3.395 -10.152 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.877 1.673 -8.986 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.759 0.930 -10.113 1.00 0.00 H new ATOM 0 HG SER A 9 -8.513 0.187 -8.458 1.00 0.00 H new ATOM 62 N GLY A 10 -10.220 4.440 -7.920 1.00 0.00 N ATOM 63 CA GLY A 10 -10.470 5.280 -6.740 1.00 0.00 C ATOM 64 C GLY A 10 -11.950 5.410 -6.410 1.00 0.00 C ATOM 65 O GLY A 10 -12.770 5.570 -7.320 1.00 0.00 O ATOM 0 H GLY A 10 -10.921 4.551 -8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.947 4.858 -5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.052 6.272 -6.911 1.00 0.00 H new ATOM 66 N CYS A 11 -12.190 5.520 -5.110 1.00 0.00 N ATOM 67 CA CYS A 11 -13.470 5.630 -4.380 1.00 0.00 C ATOM 68 C CYS A 11 -13.380 4.860 -3.070 1.00 0.00 C ATOM 69 O CYS A 11 -13.280 5.460 -2.000 1.00 0.00 O ATOM 70 CB CYS A 11 -14.760 5.260 -5.130 1.00 0.00 C ATOM 71 SG CYS A 11 -14.820 3.560 -5.800 1.00 0.00 S ATOM 0 H CYS A 11 -11.408 5.537 -4.456 1.00 0.00 H new ATOM 0 HA CYS A 11 -13.583 6.703 -4.222 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -15.604 5.396 -4.454 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -14.895 5.961 -5.953 1.00 0.00 H new ATOM 0 HG CYS A 11 -15.227 2.743 -4.874 1.00 0.00 H new ATOM 72 N HIS A 12 -13.410 3.530 -3.150 1.00 0.00 N ATOM 73 CA HIS A 12 -13.240 2.640 -1.990 1.00 0.00 C ATOM 74 C HIS A 12 -11.760 2.640 -1.610 1.00 0.00 C ATOM 75 O HIS A 12 -10.890 2.540 -2.470 1.00 0.00 O ATOM 76 CB HIS A 12 -13.720 1.230 -2.330 1.00 0.00 C ATOM 77 CG HIS A 12 -15.240 1.190 -2.530 1.00 0.00 C ATOM 78 ND1 HIS A 12 -15.880 1.230 -3.690 1.00 0.00 N ATOM 79 CD2 HIS A 12 -16.160 1.190 -1.560 1.00 0.00 C ATOM 80 CE1 HIS A 12 -17.190 1.250 -3.460 1.00 0.00 C ATOM 81 NE2 HIS A 12 -17.360 1.220 -2.140 1.00 0.00 N ATOM 0 H HIS A 12 -13.554 3.030 -4.028 1.00 0.00 H new ATOM 0 HA HIS A 12 -13.836 2.992 -1.148 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.223 0.883 -3.236 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -13.438 0.545 -1.530 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -15.966 1.169 -0.498 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -17.971 1.284 -4.206 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -18.257 1.220 -1.654 1.00 0.00 H new ATOM 82 N TYR A 13 -11.510 2.830 -0.320 1.00 0.00 N ATOM 83 CA TYR A 13 -10.140 2.930 0.240 1.00 0.00 C ATOM 84 C TYR A 13 -9.670 4.370 -0.110 1.00 0.00 C ATOM 85 O TYR A 13 -8.490 4.660 0.020 1.00 0.00 O ATOM 86 CB TYR A 13 -9.070 1.870 0.120 1.00 0.00 C ATOM 87 CG TYR A 13 -9.500 0.500 0.620 1.00 0.00 C ATOM 88 CD1 TYR A 13 -10.420 0.120 -0.280 1.00 0.00 C ATOM 89 CD2 TYR A 13 -8.980 -0.310 1.600 1.00 0.00 C ATOM 90 CE1 TYR A 13 -11.080 -1.140 -0.180 1.00 0.00 C ATOM 91 CE2 TYR A 13 -9.630 -1.550 1.800 1.00 0.00 C ATOM 92 CZ TYR A 13 -10.650 -1.930 0.900 1.00 0.00 C ATOM 93 OH TYR A 13 -11.130 -3.180 0.970 1.00 0.00 O ATOM 0 H TYR A 13 -12.245 2.921 0.381 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.274 2.687 1.294 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -8.770 1.787 -0.925 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -8.191 2.190 0.679 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.666 0.782 -1.097 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -8.122 -0.016 2.186 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -11.844 -1.459 -0.874 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -9.353 -2.192 2.623 1.00 0.00 H new ATOM 0 HH TYR A 13 -10.389 -3.808 1.096 1.00 0.00 H new ATOM 94 N GLY A 14 -10.600 5.240 -0.530 1.00 0.00 N ATOM 95 CA GLY A 14 -10.400 6.600 -1.030 1.00 0.00 C ATOM 96 C GLY A 14 -9.490 6.600 -2.260 1.00 0.00 C ATOM 97 O GLY A 14 -9.930 6.410 -3.400 1.00 0.00 O ATOM 0 H GLY A 14 -11.588 4.987 -0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.363 7.044 -1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.961 7.219 -0.247 1.00 0.00 H new ATOM 98 N VAL A 15 -8.210 6.730 -1.930 1.00 0.00 N ATOM 99 CA VAL A 15 -6.980 6.790 -2.770 1.00 0.00 C ATOM 100 C VAL A 15 -7.060 5.860 -4.000 1.00 0.00 C ATOM 101 O VAL A 15 -7.590 4.750 -4.020 1.00 0.00 O ATOM 102 CB VAL A 15 -5.800 7.570 -2.240 1.00 0.00 C ATOM 103 CG1 VAL A 15 -4.480 7.280 -2.910 1.00 0.00 C ATOM 104 CG2 VAL A 15 -6.110 8.980 -1.850 1.00 0.00 C ATOM 0 H VAL A 15 -7.959 6.807 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.451 7.487 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.592 7.140 -1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.700 7.891 -2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.233 6.226 -2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.552 7.514 -3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.205 9.463 -1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.484 9.524 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.868 8.983 -1.066 1.00 0.00 H new ATOM 105 N LEU A 16 -6.520 6.480 -5.040 1.00 0.00 N ATOM 106 CA LEU A 16 -6.240 5.890 -6.350 1.00 0.00 C ATOM 107 C LEU A 16 -5.060 4.940 -6.340 1.00 0.00 C ATOM 108 O LEU A 16 -3.890 5.270 -6.560 1.00 0.00 O ATOM 109 CB LEU A 16 -5.970 7.040 -7.330 1.00 0.00 C ATOM 110 CG LEU A 16 -7.230 7.440 -8.080 1.00 0.00 C ATOM 111 CD1 LEU A 16 -7.310 8.950 -8.340 1.00 0.00 C ATOM 112 CD2 LEU A 16 -7.210 6.690 -9.420 1.00 0.00 C ATOM 0 H LEU A 16 -6.249 7.462 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.104 5.296 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.581 7.900 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.201 6.740 -8.042 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.100 7.184 -7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.230 9.178 -8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.304 9.484 -7.390 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.453 9.262 -8.937 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.100 6.948 -9.995 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.320 6.973 -9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.196 5.616 -9.236 1.00 0.00 H new ATOM 113 N THR A 17 -5.430 3.710 -6.030 1.00 0.00 N ATOM 114 CA THR A 17 -4.470 2.600 -5.970 1.00 0.00 C ATOM 115 C THR A 17 -5.020 1.460 -6.830 1.00 0.00 C ATOM 116 O THR A 17 -6.190 1.460 -7.230 1.00 0.00 O ATOM 117 CB THR A 17 -4.020 2.130 -4.620 1.00 0.00 C ATOM 118 OG1 THR A 17 -4.960 1.310 -3.890 1.00 0.00 O ATOM 119 CG2 THR A 17 -3.450 3.210 -3.680 1.00 0.00 C ATOM 0 H THR A 17 -6.391 3.445 -5.814 1.00 0.00 H new ATOM 0 HA THR A 17 -3.534 2.998 -6.361 1.00 0.00 H new ATOM 0 HB THR A 17 -3.191 1.492 -4.926 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.853 1.467 -2.929 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.158 2.752 -2.735 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.579 3.673 -4.143 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.209 3.970 -3.496 1.00 0.00 H new ATOM 120 N CYS A 18 -4.100 0.600 -7.230 1.00 0.00 N ATOM 121 CA CYS A 18 -4.470 -0.540 -8.080 1.00 0.00 C ATOM 122 C CYS A 18 -5.730 -1.350 -7.730 1.00 0.00 C ATOM 123 O CYS A 18 -6.690 -1.370 -8.500 1.00 0.00 O ATOM 124 CB CYS A 18 -3.390 -1.550 -8.420 1.00 0.00 C ATOM 125 SG CYS A 18 -2.190 -1.820 -7.060 1.00 0.00 S ATOM 0 H CYS A 18 -3.110 0.658 -6.992 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.686 0.082 -8.949 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.859 -2.500 -8.674 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.853 -1.212 -9.306 1.00 0.00 H new ATOM 126 N GLY A 19 -5.790 -1.740 -6.460 1.00 0.00 N ATOM 127 CA GLY A 19 -6.850 -2.620 -5.950 1.00 0.00 C ATOM 128 C GLY A 19 -6.310 -3.560 -4.870 1.00 0.00 C ATOM 129 O GLY A 19 -6.870 -3.670 -3.780 1.00 0.00 O ATOM 0 H GLY A 19 -5.110 -1.459 -5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.662 -2.018 -5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.268 -3.204 -6.770 1.00 0.00 H new ATOM 130 N SER A 20 -5.210 -4.230 -5.200 1.00 0.00 N ATOM 131 CA SER A 20 -4.510 -5.120 -4.260 1.00 0.00 C ATOM 132 C SER A 20 -4.220 -4.540 -2.870 1.00 0.00 C ATOM 133 O SER A 20 -4.890 -4.990 -1.940 1.00 0.00 O ATOM 134 CB SER A 20 -3.200 -5.590 -4.900 1.00 0.00 C ATOM 135 OG SER A 20 -2.470 -4.420 -5.300 1.00 0.00 O ATOM 0 H SER A 20 -4.775 -4.176 -6.121 1.00 0.00 H new ATOM 0 HA SER A 20 -5.202 -5.942 -4.077 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.618 -6.181 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.401 -6.229 -5.760 1.00 0.00 H new ATOM 0 HG SER A 20 -2.047 -4.580 -6.169 1.00 0.00 H new ATOM 136 N CYS A 21 -3.610 -3.360 -2.830 1.00 0.00 N ATOM 137 CA CYS A 21 -3.180 -2.610 -1.630 1.00 0.00 C ATOM 138 C CYS A 21 -4.350 -2.300 -0.680 1.00 0.00 C ATOM 139 O CYS A 21 -4.190 -2.260 0.530 1.00 0.00 O ATOM 140 CB CYS A 21 -2.610 -1.240 -2.010 1.00 0.00 C ATOM 141 SG CYS A 21 -1.500 -1.230 -3.460 1.00 0.00 S ATOM 0 H CYS A 21 -3.382 -2.858 -3.688 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.441 -3.251 -1.149 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.440 -0.561 -2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.066 -0.841 -1.154 1.00 0.00 H new ATOM 142 N LYS A 22 -5.540 -2.230 -1.270 1.00 0.00 N ATOM 143 CA LYS A 22 -6.850 -1.990 -0.630 1.00 0.00 C ATOM 144 C LYS A 22 -7.230 -3.190 0.240 1.00 0.00 C ATOM 145 O LYS A 22 -7.020 -3.160 1.450 1.00 0.00 O ATOM 146 CB LYS A 22 -7.840 -1.740 -1.760 1.00 0.00 C ATOM 147 CG LYS A 22 -7.600 -0.400 -2.460 1.00 0.00 C ATOM 148 CD LYS A 22 -8.500 -0.190 -3.670 1.00 0.00 C ATOM 149 CE LYS A 22 -8.180 1.140 -4.370 1.00 0.00 C ATOM 150 NZ LYS A 22 -8.220 2.220 -3.390 1.00 0.00 N ATOM 0 H LYS A 22 -5.631 -2.346 -2.279 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.837 -1.129 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.766 -2.546 -2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.855 -1.763 -1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.763 0.409 -1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.558 -0.343 -2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.371 -1.014 -4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.544 -0.198 -3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.196 1.092 -4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.900 1.328 -5.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.122 3.134 -3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.127 2.194 -2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.440 2.103 -2.712 1.00 0.00 H new ATOM 151 N VAL A 23 -7.420 -4.320 -0.450 1.00 0.00 N ATOM 152 CA VAL A 23 -7.850 -5.620 0.090 1.00 0.00 C ATOM 153 C VAL A 23 -6.820 -6.090 1.140 1.00 0.00 C ATOM 154 O VAL A 23 -7.130 -6.590 2.220 1.00 0.00 O ATOM 155 CB VAL A 23 -7.920 -6.740 -0.950 1.00 0.00 C ATOM 156 CG1 VAL A 23 -8.610 -7.970 -0.380 1.00 0.00 C ATOM 157 CG2 VAL A 23 -8.700 -6.190 -2.100 1.00 0.00 C ATOM 0 H VAL A 23 -7.270 -4.357 -1.458 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.850 -5.452 0.491 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.922 -7.053 -1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.647 -8.751 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.054 -8.331 0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.624 -7.711 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.784 -6.948 -2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.696 -5.906 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.189 -5.314 -2.500 1.00 0.00 H new ATOM 158 N PHE A 24 -5.600 -5.770 0.740 1.00 0.00 N ATOM 159 CA PHE A 24 -4.340 -6.060 1.420 1.00 0.00 C ATOM 160 C PHE A 24 -4.340 -5.480 2.840 1.00 0.00 C ATOM 161 O PHE A 24 -4.620 -6.230 3.760 1.00 0.00 O ATOM 162 CB PHE A 24 -3.270 -5.290 0.580 1.00 0.00 C ATOM 163 CG PHE A 24 -1.880 -5.160 1.120 1.00 0.00 C ATOM 164 CD1 PHE A 24 -1.650 -4.380 2.270 1.00 0.00 C ATOM 165 CD2 PHE A 24 -1.130 -4.930 -0.010 1.00 0.00 C ATOM 166 CE1 PHE A 24 -0.750 -3.320 2.250 1.00 0.00 C ATOM 167 CE2 PHE A 24 -0.120 -3.950 -0.030 1.00 0.00 C ATOM 168 CZ PHE A 24 0.110 -3.230 1.160 1.00 0.00 C ATOM 0 H PHE A 24 -5.449 -5.263 -0.132 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.161 -7.132 1.497 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.201 -5.778 -0.392 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.651 -4.284 0.405 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.181 -4.609 3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.320 -5.513 -0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.720 -2.595 3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.457 -3.757 -0.923 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.978 -2.591 1.227 1.00 0.00 H new ATOM 169 N PHE A 25 -4.580 -4.160 2.880 1.00 0.00 N ATOM 170 CA PHE A 25 -4.530 -3.270 4.050 1.00 0.00 C ATOM 171 C PHE A 25 -5.680 -3.800 4.930 1.00 0.00 C ATOM 172 O PHE A 25 -5.440 -4.350 5.990 1.00 0.00 O ATOM 173 CB PHE A 25 -4.850 -1.910 3.470 1.00 0.00 C ATOM 174 CG PHE A 25 -4.600 -0.720 4.370 1.00 0.00 C ATOM 175 CD1 PHE A 25 -3.470 -0.660 5.180 1.00 0.00 C ATOM 176 CD2 PHE A 25 -5.580 0.270 4.360 1.00 0.00 C ATOM 177 CE1 PHE A 25 -3.360 0.400 6.090 1.00 0.00 C ATOM 178 CE2 PHE A 25 -5.430 1.370 5.250 1.00 0.00 C ATOM 179 CZ PHE A 25 -4.380 1.350 6.180 1.00 0.00 C ATOM 0 H PHE A 25 -4.832 -3.650 2.034 1.00 0.00 H new ATOM 0 HA PHE A 25 -3.602 -3.223 4.619 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.264 -1.780 2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.900 -1.902 3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.697 -1.411 5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.429 0.204 3.696 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.487 0.482 6.721 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.113 2.206 5.210 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.360 2.079 6.976 1.00 0.00 H new ATOM 180 N LYS A 26 -6.810 -4.010 4.230 1.00 0.00 N ATOM 181 CA LYS A 26 -8.150 -4.470 4.620 1.00 0.00 C ATOM 182 C LYS A 26 -7.880 -5.590 5.700 1.00 0.00 C ATOM 183 O LYS A 26 -7.800 -5.300 6.890 1.00 0.00 O ATOM 184 CB LYS A 26 -9.160 -4.560 3.580 1.00 0.00 C ATOM 185 CG LYS A 26 -10.680 -4.590 3.730 1.00 0.00 C ATOM 186 CD LYS A 26 -11.460 -5.890 3.430 1.00 0.00 C ATOM 187 CE LYS A 26 -11.170 -7.030 4.400 1.00 0.00 C ATOM 188 NZ LYS A 26 -11.630 -6.710 5.760 1.00 0.00 N ATOM 0 H LYS A 26 -6.796 -3.832 3.226 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.781 -3.724 5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.959 -3.717 2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.914 -5.466 3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.910 -4.303 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.085 -3.812 3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.528 -5.673 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.221 -6.219 2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.662 -7.939 4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.099 -7.233 4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.558 -7.557 6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.038 -5.953 6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.620 -6.393 5.726 1.00 0.00 H new ATOM 189 N ARG A 27 -7.440 -6.720 5.150 1.00 0.00 N ATOM 190 CA ARG A 27 -7.090 -7.930 5.890 1.00 0.00 C ATOM 191 C ARG A 27 -5.840 -7.930 6.790 1.00 0.00 C ATOM 192 O ARG A 27 -5.850 -8.470 7.900 1.00 0.00 O ATOM 193 CB ARG A 27 -6.980 -9.160 4.990 1.00 0.00 C ATOM 194 CG ARG A 27 -8.280 -9.430 4.220 1.00 0.00 C ATOM 195 CD ARG A 27 -8.180 -10.680 3.340 1.00 0.00 C ATOM 196 NE ARG A 27 -9.390 -10.740 2.510 1.00 0.00 N ATOM 197 CZ ARG A 27 -9.490 -11.230 1.260 1.00 0.00 C ATOM 198 NH1 ARG A 27 -8.460 -11.780 0.620 1.00 0.00 N ATOM 199 NH2 ARG A 27 -10.670 -11.190 0.640 1.00 0.00 N ATOM 0 H ARG A 27 -7.313 -6.821 4.143 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.943 -7.961 6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.163 -9.019 4.283 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.731 -10.031 5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.101 -9.550 4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.518 -8.567 3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.289 -10.637 2.714 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.094 -11.575 3.956 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.246 -10.371 2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.550 -11.843 1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.581 -12.139 -0.327 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.481 -10.792 1.113 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.761 -11.557 -0.307 1.00 0.00 H new ATOM 200 N ALA A 28 -4.870 -7.150 6.350 1.00 0.00 N ATOM 201 CA ALA A 28 -3.510 -6.860 6.860 1.00 0.00 C ATOM 202 C ALA A 28 -3.700 -6.430 8.350 1.00 0.00 C ATOM 203 O ALA A 28 -3.610 -7.220 9.290 1.00 0.00 O ATOM 204 CB ALA A 28 -2.740 -5.910 6.030 1.00 0.00 C ATOM 0 H ALA A 28 -5.028 -6.617 5.495 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.875 -7.744 6.802 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.757 -5.753 6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.624 -6.316 5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.271 -4.959 5.978 1.00 0.00 H new ATOM 205 N VAL A 29 -4.400 -5.300 8.370 1.00 0.00 N ATOM 206 CA VAL A 29 -4.790 -4.330 9.400 1.00 0.00 C ATOM 207 C VAL A 29 -5.600 -5.210 10.400 1.00 0.00 C ATOM 208 O VAL A 29 -5.310 -5.360 11.590 1.00 0.00 O ATOM 209 CB VAL A 29 -5.380 -3.150 8.790 1.00 0.00 C ATOM 210 CG1 VAL A 29 -5.970 -2.170 9.780 1.00 0.00 C ATOM 211 CG2 VAL A 29 -4.320 -2.410 8.020 1.00 0.00 C ATOM 0 H VAL A 29 -4.784 -4.981 7.480 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.004 -3.837 9.972 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.189 -3.518 8.159 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.389 -1.319 9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.757 -2.661 10.353 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.190 -1.823 10.458 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.757 -1.524 7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.520 -2.111 8.698 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.914 -3.059 7.244 1.00 0.00 H new ATOM 212 N GLU A 30 -6.640 -5.720 9.770 1.00 0.00 N ATOM 213 CA GLU A 30 -7.700 -6.550 10.380 1.00 0.00 C ATOM 214 C GLU A 30 -7.170 -7.760 11.170 1.00 0.00 C ATOM 215 O GLU A 30 -7.760 -8.090 12.190 1.00 0.00 O ATOM 216 CB GLU A 30 -8.680 -6.860 9.260 1.00 0.00 C ATOM 217 CG GLU A 30 -10.110 -6.960 9.700 1.00 0.00 C ATOM 218 CD GLU A 30 -10.460 -8.000 10.790 1.00 0.00 C ATOM 219 OE1 GLU A 30 -10.390 -9.200 10.450 1.00 0.00 O ATOM 220 OE2 GLU A 30 -10.850 -7.550 11.890 1.00 0.00 O ATOM 0 H GLU A 30 -6.790 -5.569 8.772 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.220 -6.015 11.174 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.600 -6.084 8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.390 -7.800 8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.418 -5.979 10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.716 -7.180 8.821 1.00 0.00 H new ATOM 221 N GLY A 31 -6.140 -8.420 10.650 1.00 0.00 N ATOM 222 CA GLY A 31 -5.480 -9.580 11.270 1.00 0.00 C ATOM 223 C GLY A 31 -4.120 -9.260 11.900 1.00 0.00 C ATOM 224 O GLY A 31 -3.260 -10.130 11.940 1.00 0.00 O ATOM 0 H GLY A 31 -5.723 -8.159 9.756 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.136 -9.992 12.037 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.346 -10.355 10.515 1.00 0.00 H new ATOM 225 N GLN A 32 -3.950 -8.020 12.350 1.00 0.00 N ATOM 226 CA GLN A 32 -2.740 -7.480 12.990 1.00 0.00 C ATOM 227 C GLN A 32 -1.390 -7.820 12.350 1.00 0.00 C ATOM 228 O GLN A 32 -0.340 -7.780 12.980 1.00 0.00 O ATOM 229 CB GLN A 32 -2.760 -7.770 14.490 1.00 0.00 C ATOM 230 CG GLN A 32 -3.820 -6.940 15.210 1.00 0.00 C ATOM 231 CD GLN A 32 -5.250 -7.450 14.990 1.00 0.00 C ATOM 232 OE1 GLN A 32 -5.690 -8.440 15.550 1.00 0.00 O ATOM 233 NE2 GLN A 32 -5.990 -6.780 14.120 1.00 0.00 N ATOM 0 H GLN A 32 -4.690 -7.321 12.277 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.803 -6.406 12.812 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.954 -8.830 14.653 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.779 -7.557 14.915 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.604 -6.937 16.278 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.755 -5.907 14.869 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.611 -5.953 13.658 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.939 -7.090 13.912 1.00 0.00 H new ATOM 234 N HIS A 33 -1.440 -7.910 11.030 1.00 0.00 N ATOM 235 CA HIS A 33 -0.280 -8.260 10.180 1.00 0.00 C ATOM 236 C HIS A 33 0.720 -7.090 10.100 1.00 0.00 C ATOM 237 O HIS A 33 0.460 -6.070 9.470 1.00 0.00 O ATOM 238 CB HIS A 33 -0.670 -8.670 8.780 1.00 0.00 C ATOM 239 CG HIS A 33 -1.590 -9.890 8.730 1.00 0.00 C ATOM 240 ND1 HIS A 33 -2.910 -10.010 8.600 1.00 0.00 N ATOM 241 CD2 HIS A 33 -1.040 -11.070 8.680 1.00 0.00 C ATOM 242 CE1 HIS A 33 -3.170 -11.310 8.460 1.00 0.00 C ATOM 243 NE2 HIS A 33 -2.020 -11.970 8.520 1.00 0.00 N ATOM 0 H HIS A 33 -2.294 -7.742 10.498 1.00 0.00 H new ATOM 0 HA HIS A 33 0.187 -9.120 10.661 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.166 -7.832 8.290 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.233 -8.884 8.209 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.592 -9.252 8.606 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.016 -11.284 8.754 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.147 -11.750 8.322 1.00 0.00 H new ATOM 244 N ASN A 34 1.810 -7.230 10.860 1.00 0.00 N ATOM 245 CA ASN A 34 2.940 -6.280 10.760 1.00 0.00 C ATOM 246 C ASN A 34 3.510 -6.460 9.350 1.00 0.00 C ATOM 247 O ASN A 34 3.770 -7.590 8.960 1.00 0.00 O ATOM 248 CB ASN A 34 3.890 -6.300 11.950 1.00 0.00 C ATOM 249 CG ASN A 34 5.130 -5.420 11.720 1.00 0.00 C ATOM 250 OD1 ASN A 34 6.010 -5.760 10.930 1.00 0.00 O ATOM 251 ND2 ASN A 34 5.150 -4.200 12.230 1.00 0.00 N ATOM 0 H ASN A 34 1.941 -7.976 11.543 1.00 0.00 H new ATOM 0 HA ASN A 34 2.627 -5.240 10.856 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.362 -5.956 12.839 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.205 -7.325 12.143 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.891 -3.550 11.968 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.425 -3.909 12.886 1.00 0.00 H new ATOM 252 N TYR A 35 4.000 -5.370 8.780 1.00 0.00 N ATOM 253 CA TYR A 35 4.250 -5.520 7.340 1.00 0.00 C ATOM 254 C TYR A 35 5.760 -5.680 7.010 1.00 0.00 C ATOM 255 O TYR A 35 6.180 -5.560 5.860 1.00 0.00 O ATOM 256 CB TYR A 35 3.550 -4.510 6.440 1.00 0.00 C ATOM 257 CG TYR A 35 2.420 -5.230 5.730 1.00 0.00 C ATOM 258 CD1 TYR A 35 1.540 -6.200 6.250 1.00 0.00 C ATOM 259 CD2 TYR A 35 2.260 -4.690 4.480 1.00 0.00 C ATOM 260 CE1 TYR A 35 0.480 -6.620 5.430 1.00 0.00 C ATOM 261 CE2 TYR A 35 1.290 -5.200 3.610 1.00 0.00 C ATOM 262 CZ TYR A 35 0.440 -6.210 4.100 1.00 0.00 C ATOM 263 OH TYR A 35 -0.330 -6.920 3.250 1.00 0.00 O ATOM 0 H TYR A 35 4.214 -4.473 9.216 1.00 0.00 H new ATOM 0 HA TYR A 35 3.763 -6.462 7.088 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.163 -3.678 7.028 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.251 -4.092 5.717 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.676 -6.605 7.242 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.885 -3.868 4.166 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.297 -7.256 5.828 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.197 -4.832 2.599 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.796 -6.308 2.643 1.00 0.00 H new ATOM 264 N LEU A 36 6.550 -6.060 8.010 1.00 0.00 N ATOM 265 CA LEU A 36 8.000 -6.310 7.940 1.00 0.00 C ATOM 266 C LEU A 36 8.870 -5.060 7.750 1.00 0.00 C ATOM 267 O LEU A 36 9.060 -4.320 8.710 1.00 0.00 O ATOM 268 CB LEU A 36 8.290 -7.510 7.040 1.00 0.00 C ATOM 269 CG LEU A 36 9.730 -7.990 7.160 1.00 0.00 C ATOM 270 CD1 LEU A 36 10.120 -8.310 8.610 1.00 0.00 C ATOM 271 CD2 LEU A 36 9.970 -9.210 6.270 1.00 0.00 C ATOM 0 H LEU A 36 6.181 -6.213 8.949 1.00 0.00 H new ATOM 0 HA LEU A 36 8.340 -6.606 8.932 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.615 -8.326 7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.084 -7.242 6.004 1.00 0.00 H new ATOM 0 HG LEU A 36 10.364 -7.170 6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.156 -8.648 8.642 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.011 -7.415 9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.470 -9.095 8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.005 -9.536 6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.304 -10.018 6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.773 -8.947 5.231 1.00 0.00 H new ATOM 272 N CYS A 37 9.330 -4.830 6.530 1.00 0.00 N ATOM 273 CA CYS A 37 10.280 -3.770 6.110 1.00 0.00 C ATOM 274 C CYS A 37 10.430 -2.490 6.920 1.00 0.00 C ATOM 275 O CYS A 37 9.870 -1.450 6.580 1.00 0.00 O ATOM 276 CB CYS A 37 9.880 -3.480 4.660 1.00 0.00 C ATOM 277 SG CYS A 37 10.930 -2.380 3.640 1.00 0.00 S ATOM 0 H CYS A 37 9.040 -5.409 5.742 1.00 0.00 H new ATOM 0 HA CYS A 37 11.283 -4.165 6.274 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.810 -4.437 4.143 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.878 -3.052 4.677 1.00 0.00 H new ATOM 278 N ALA A 38 11.210 -2.620 7.980 1.00 0.00 N ATOM 279 CA ALA A 38 11.610 -1.530 8.910 1.00 0.00 C ATOM 280 C ALA A 38 10.290 -0.870 9.410 1.00 0.00 C ATOM 281 O ALA A 38 10.350 0.260 9.890 1.00 0.00 O ATOM 282 CB ALA A 38 12.560 -0.600 8.280 1.00 0.00 C ATOM 0 H ALA A 38 11.609 -3.521 8.244 1.00 0.00 H new ATOM 0 HA ALA A 38 12.162 -1.909 9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.829 0.182 8.990 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.457 -1.143 7.981 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.099 -0.149 7.401 1.00 0.00 H new ATOM 283 N GLY A 39 9.160 -1.570 9.370 1.00 0.00 N ATOM 284 CA GLY A 39 7.860 -0.930 9.580 1.00 0.00 C ATOM 285 C GLY A 39 7.410 -0.290 8.270 1.00 0.00 C ATOM 286 O GLY A 39 6.300 -0.510 7.800 1.00 0.00 O ATOM 0 H GLY A 39 9.115 -2.574 9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.127 -1.665 9.912 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.933 -0.175 10.363 1.00 0.00 H new ATOM 287 N ARG A 40 8.180 0.750 7.970 1.00 0.00 N ATOM 288 CA ARG A 40 8.090 1.600 6.750 1.00 0.00 C ATOM 289 C ARG A 40 9.170 1.130 5.750 1.00 0.00 C ATOM 290 O ARG A 40 8.860 0.750 4.620 1.00 0.00 O ATOM 291 CB ARG A 40 7.950 3.070 6.910 1.00 0.00 C ATOM 292 CG ARG A 40 7.790 3.720 8.300 1.00 0.00 C ATOM 293 CD ARG A 40 9.070 3.690 9.130 1.00 0.00 C ATOM 294 NE ARG A 40 10.170 4.380 8.430 1.00 0.00 N ATOM 295 CZ ARG A 40 11.380 3.860 8.160 1.00 0.00 C ATOM 296 NH1 ARG A 40 11.800 2.700 8.680 1.00 0.00 N ATOM 297 NH2 ARG A 40 12.240 4.540 7.400 1.00 0.00 N ATOM 0 H ARG A 40 8.929 1.053 8.593 1.00 0.00 H new ATOM 0 HA ARG A 40 7.098 1.429 6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.827 3.523 6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.086 3.372 6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.470 4.754 8.175 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.999 3.205 8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.893 4.165 10.095 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.353 2.657 9.331 1.00 0.00 H new ATOM 0 HE ARG A 40 9.997 5.337 8.123 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.193 2.174 9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.727 2.343 8.448 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.979 5.452 7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.159 4.148 7.194 1.00 0.00 H new ATOM 298 N ASN A 41 10.300 1.800 5.970 1.00 0.00 N ATOM 299 CA ASN A 41 11.600 1.750 5.300 1.00 0.00 C ATOM 300 C ASN A 41 11.720 2.730 4.120 1.00 0.00 C ATOM 301 O ASN A 41 12.780 3.170 3.690 1.00 0.00 O ATOM 302 CB ASN A 41 12.210 0.390 5.000 1.00 0.00 C ATOM 303 CG ASN A 41 13.560 0.340 4.270 1.00 0.00 C ATOM 304 OD1 ASN A 41 14.550 0.940 4.660 1.00 0.00 O ATOM 305 ND2 ASN A 41 13.650 -0.540 3.270 1.00 0.00 N ATOM 0 H ASN A 41 10.328 2.484 6.726 1.00 0.00 H new ATOM 0 HA ASN A 41 12.248 2.104 6.102 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.325 -0.138 5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.490 -0.173 4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.551 -0.716 2.825 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.818 -1.036 2.951 1.00 0.00 H new ATOM 306 N ASP A 42 10.530 3.210 3.820 1.00 0.00 N ATOM 307 CA ASP A 42 10.190 4.120 2.700 1.00 0.00 C ATOM 308 C ASP A 42 10.820 3.670 1.390 1.00 0.00 C ATOM 309 O ASP A 42 11.290 4.400 0.520 1.00 0.00 O ATOM 310 CB ASP A 42 10.160 5.610 3.030 1.00 0.00 C ATOM 311 CG ASP A 42 11.460 6.160 3.620 1.00 0.00 C ATOM 312 OD1 ASP A 42 12.300 6.630 2.830 1.00 0.00 O ATOM 313 OD2 ASP A 42 11.540 6.160 4.870 1.00 0.00 O ATOM 0 H ASP A 42 9.709 2.971 4.376 1.00 0.00 H new ATOM 0 HA ASP A 42 9.123 4.006 2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.926 6.165 2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.350 5.796 3.735 1.00 0.00 H new ATOM 314 N CYS A 43 10.530 2.380 1.240 1.00 0.00 N ATOM 315 CA CYS A 43 11.010 1.480 0.190 1.00 0.00 C ATOM 316 C CYS A 43 10.100 1.550 -1.060 1.00 0.00 C ATOM 317 O CYS A 43 8.880 1.420 -0.970 1.00 0.00 O ATOM 318 CB CYS A 43 11.200 0.210 0.920 1.00 0.00 C ATOM 319 SG CYS A 43 11.840 -1.360 0.170 1.00 0.00 S ATOM 0 H CYS A 43 9.910 1.901 1.893 1.00 0.00 H new ATOM 0 HA CYS A 43 11.956 1.720 -0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 43 11.867 0.439 1.751 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.229 -0.037 1.349 1.00 0.00 H new ATOM 320 N ILE A 44 10.720 2.250 -2.000 1.00 0.00 N ATOM 321 CA ILE A 44 10.150 2.550 -3.320 1.00 0.00 C ATOM 322 C ILE A 44 9.780 1.310 -4.160 1.00 0.00 C ATOM 323 O ILE A 44 10.410 0.910 -5.140 1.00 0.00 O ATOM 324 CB ILE A 44 9.950 3.950 -3.890 1.00 0.00 C ATOM 325 CG1 ILE A 44 10.190 4.960 -2.770 1.00 0.00 C ATOM 326 CG2 ILE A 44 8.530 4.110 -4.430 1.00 0.00 C ATOM 327 CD1 ILE A 44 11.640 5.400 -2.890 1.00 0.00 C ATOM 0 H ILE A 44 11.655 2.637 -1.870 1.00 0.00 H new ATOM 0 HA ILE A 44 9.951 3.597 -3.092 1.00 0.00 H new ATOM 0 HB ILE A 44 10.648 4.116 -4.711 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.517 5.812 -2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.000 4.511 -1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.405 5.115 -4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.356 3.379 -5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.814 3.951 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.866 6.126 -2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.293 4.534 -2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.802 5.856 -3.867 1.00 0.00 H new ATOM 328 N ILE A 45 8.560 0.960 -3.800 1.00 0.00 N ATOM 329 CA ILE A 45 7.640 -0.080 -4.290 1.00 0.00 C ATOM 330 C ILE A 45 7.090 0.220 -5.690 1.00 0.00 C ATOM 331 O ILE A 45 6.210 -0.490 -6.180 1.00 0.00 O ATOM 332 CB ILE A 45 6.460 -0.090 -3.290 1.00 0.00 C ATOM 333 CG1 ILE A 45 5.510 -1.230 -3.290 1.00 0.00 C ATOM 334 CG2 ILE A 45 5.830 1.310 -3.250 1.00 0.00 C ATOM 335 CD1 ILE A 45 6.160 -2.600 -3.040 1.00 0.00 C ATOM 0 H ILE A 45 8.114 1.473 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 45 8.168 -1.031 -4.361 1.00 0.00 H new ATOM 0 HB ILE A 45 6.908 -0.323 -2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.753 -1.056 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.994 -1.256 -4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.997 1.314 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.577 2.036 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.468 1.575 -4.244 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.394 -3.375 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.896 -2.801 -3.818 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.652 -2.597 -2.067 1.00 0.00 H new ATOM 336 N ASP A 46 7.830 1.030 -6.440 1.00 0.00 N ATOM 337 CA ASP A 46 7.280 1.510 -7.690 1.00 0.00 C ATOM 338 C ASP A 46 7.850 0.630 -8.840 1.00 0.00 C ATOM 339 O ASP A 46 9.000 0.210 -8.730 1.00 0.00 O ATOM 340 CB ASP A 46 7.120 2.970 -7.980 1.00 0.00 C ATOM 341 CG ASP A 46 8.420 3.800 -7.970 1.00 0.00 C ATOM 342 OD1 ASP A 46 9.500 3.170 -7.980 1.00 0.00 O ATOM 343 OD2 ASP A 46 8.320 5.040 -7.930 1.00 0.00 O ATOM 0 H ASP A 46 8.771 1.353 -6.214 1.00 0.00 H new ATOM 0 HA ASP A 46 6.204 1.379 -7.574 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.649 3.078 -8.957 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.434 3.394 -7.247 1.00 0.00 H new ATOM 344 N LYS A 47 7.120 0.610 -9.950 1.00 0.00 N ATOM 345 CA LYS A 47 7.390 -0.120 -11.200 1.00 0.00 C ATOM 346 C LYS A 47 8.750 0.210 -11.850 1.00 0.00 C ATOM 347 O LYS A 47 9.130 -0.350 -12.870 1.00 0.00 O ATOM 348 CB LYS A 47 6.270 0.180 -12.190 1.00 0.00 C ATOM 349 CG LYS A 47 5.320 -1.010 -12.370 1.00 0.00 C ATOM 350 CD LYS A 47 4.600 -1.350 -11.060 1.00 0.00 C ATOM 351 CE LYS A 47 3.970 -2.740 -11.170 1.00 0.00 C ATOM 352 NZ LYS A 47 3.410 -3.150 -9.870 1.00 0.00 N ATOM 0 H LYS A 47 6.253 1.144 -10.012 1.00 0.00 H new ATOM 0 HA LYS A 47 7.433 -1.178 -10.941 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.704 1.045 -11.844 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.702 0.447 -13.155 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.586 -0.779 -13.142 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.882 -1.878 -12.715 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.304 -1.323 -10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.831 -0.606 -10.851 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.185 -2.732 -11.926 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.719 -3.462 -11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.932 -3.975 -9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.495 -2.366 -9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.407 -3.399 -9.987 1.00 0.00 H new ATOM 353 N ILE A 48 9.430 1.160 -11.220 1.00 0.00 N ATOM 354 CA ILE A 48 10.750 1.710 -11.580 1.00 0.00 C ATOM 355 C ILE A 48 11.840 0.810 -10.980 1.00 0.00 C ATOM 356 O ILE A 48 12.890 0.600 -11.590 1.00 0.00 O ATOM 357 CB ILE A 48 10.840 3.070 -10.950 1.00 0.00 C ATOM 358 CG1 ILE A 48 9.790 4.130 -11.280 1.00 0.00 C ATOM 359 CG2 ILE A 48 12.170 3.840 -10.840 1.00 0.00 C ATOM 360 CD1 ILE A 48 9.660 4.670 -12.730 1.00 0.00 C ATOM 0 H ILE A 48 9.054 1.605 -10.382 1.00 0.00 H new ATOM 0 HA ILE A 48 10.879 1.765 -12.661 1.00 0.00 H new ATOM 0 HB ILE A 48 10.643 2.583 -9.995 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.819 3.723 -10.997 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.978 4.985 -10.631 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.996 4.798 -10.350 1.00 0.00 H new ATOM 0 HG22 ILE A 48 12.881 3.257 -10.254 1.00 0.00 H new ATOM 0 HG23 ILE A 48 12.575 4.010 -11.837 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.864 5.413 -12.771 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.601 5.129 -13.033 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.424 3.847 -13.405 1.00 0.00 H new ATOM 361 N ARG A 49 11.600 0.440 -9.730 1.00 0.00 N ATOM 362 CA ARG A 49 12.550 -0.330 -8.900 1.00 0.00 C ATOM 363 C ARG A 49 11.990 -1.630 -8.310 1.00 0.00 C ATOM 364 O ARG A 49 12.010 -2.680 -8.940 1.00 0.00 O ATOM 365 CB ARG A 49 13.090 0.610 -7.820 1.00 0.00 C ATOM 366 CG ARG A 49 14.050 1.680 -8.330 1.00 0.00 C ATOM 367 CD ARG A 49 14.170 2.830 -7.320 1.00 0.00 C ATOM 368 NE ARG A 49 12.930 3.610 -7.290 1.00 0.00 N ATOM 369 CZ ARG A 49 12.720 4.750 -6.630 1.00 0.00 C ATOM 370 NH1 ARG A 49 13.670 5.350 -5.900 1.00 0.00 N ATOM 371 NH2 ARG A 49 11.540 5.370 -6.730 1.00 0.00 N ATOM 0 H ARG A 49 10.731 0.664 -9.246 1.00 0.00 H new ATOM 0 HA ARG A 49 13.353 -0.682 -9.548 1.00 0.00 H new ATOM 0 HB2 ARG A 49 12.249 1.100 -7.330 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.599 0.016 -7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 49 15.032 1.240 -8.506 1.00 0.00 H new ATOM 0 HG3 ARG A 49 13.697 2.065 -9.287 1.00 0.00 H new ATOM 0 HD2 ARG A 49 14.381 2.431 -6.328 1.00 0.00 H new ATOM 0 HD3 ARG A 49 15.007 3.474 -7.590 1.00 0.00 H new ATOM 0 HE ARG A 49 12.146 3.243 -7.830 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.599 4.935 -5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.464 6.222 -5.412 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.802 4.971 -7.310 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.378 6.242 -6.226 1.00 0.00 H new ATOM 372 N ARG A 50 11.490 -1.520 -7.080 1.00 0.00 N ATOM 373 CA ARG A 50 10.960 -2.600 -6.230 1.00 0.00 C ATOM 374 C ARG A 50 9.440 -2.770 -6.330 1.00 0.00 C ATOM 375 O ARG A 50 8.730 -1.870 -6.780 1.00 0.00 O ATOM 376 CB ARG A 50 11.290 -2.250 -4.780 1.00 0.00 C ATOM 377 CG ARG A 50 12.790 -2.240 -4.490 1.00 0.00 C ATOM 378 CD ARG A 50 13.110 -1.350 -3.280 1.00 0.00 C ATOM 379 NE ARG A 50 13.020 0.070 -3.650 1.00 0.00 N ATOM 380 CZ ARG A 50 13.620 1.090 -3.030 1.00 0.00 C ATOM 381 NH1 ARG A 50 14.120 0.980 -1.790 1.00 0.00 N ATOM 382 NH2 ARG A 50 13.560 2.320 -3.550 1.00 0.00 N ATOM 0 H ARG A 50 11.438 -0.614 -6.614 1.00 0.00 H new ATOM 0 HA ARG A 50 11.415 -3.532 -6.566 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.875 -1.270 -4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.804 -2.968 -4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 50 13.134 -3.257 -4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 50 13.331 -1.879 -5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.415 -1.566 -2.468 1.00 0.00 H new ATOM 0 HD3 ARG A 50 14.111 -1.573 -2.911 1.00 0.00 H new ATOM 0 HE ARG A 50 12.443 0.299 -4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.049 0.095 -1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.571 1.781 -1.349 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.055 2.481 -4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.019 3.097 -3.075 1.00 0.00 H new ATOM 383 N LYS A 51 9.030 -4.010 -6.080 1.00 0.00 N ATOM 384 CA LYS A 51 7.600 -4.410 -6.050 1.00 0.00 C ATOM 385 C LYS A 51 7.310 -5.530 -5.040 1.00 0.00 C ATOM 386 O LYS A 51 6.320 -5.480 -4.330 1.00 0.00 O ATOM 387 CB LYS A 51 6.960 -4.640 -7.400 1.00 0.00 C ATOM 388 CG LYS A 51 6.060 -3.420 -7.640 1.00 0.00 C ATOM 389 CD LYS A 51 4.780 -3.420 -6.800 1.00 0.00 C ATOM 390 CE LYS A 51 3.920 -4.670 -7.000 1.00 0.00 C ATOM 391 NZ LYS A 51 2.560 -4.250 -7.390 1.00 0.00 N ATOM 0 H LYS A 51 9.672 -4.779 -5.890 1.00 0.00 H new ATOM 0 HA LYS A 51 7.091 -3.521 -5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.714 -4.731 -8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.380 -5.563 -7.407 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.626 -2.514 -7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.791 -3.381 -8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.046 -3.336 -5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.190 -2.538 -7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.354 -5.308 -7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.886 -5.256 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.865 -4.693 -6.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.483 -3.215 -7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.373 -4.545 -8.370 1.00 0.00 H new ATOM 392 N ASN A 52 8.270 -6.420 -4.840 1.00 0.00 N ATOM 393 CA ASN A 52 8.170 -7.630 -3.980 1.00 0.00 C ATOM 394 C ASN A 52 8.390 -7.400 -2.480 1.00 0.00 C ATOM 395 O ASN A 52 8.840 -8.310 -1.780 1.00 0.00 O ATOM 396 CB ASN A 52 9.180 -8.600 -4.600 1.00 0.00 C ATOM 397 CG ASN A 52 10.620 -8.060 -4.590 1.00 0.00 C ATOM 398 OD1 ASN A 52 10.980 -7.140 -5.310 1.00 0.00 O ATOM 399 ND2 ASN A 52 11.380 -8.460 -3.580 1.00 0.00 N ATOM 0 H ASN A 52 9.185 -6.332 -5.282 1.00 0.00 H new ATOM 0 HA ASN A 52 7.151 -8.016 -3.975 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.149 -9.544 -4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.886 -8.814 -5.627 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.272 -7.999 -3.399 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.073 -9.228 -2.984 1.00 0.00 H new ATOM 400 N CYS A 53 8.090 -6.200 -1.990 1.00 0.00 N ATOM 401 CA CYS A 53 8.240 -5.890 -0.560 1.00 0.00 C ATOM 402 C CYS A 53 6.940 -5.380 0.070 1.00 0.00 C ATOM 403 O CYS A 53 6.370 -4.440 -0.450 1.00 0.00 O ATOM 404 CB CYS A 53 9.370 -4.860 -0.380 1.00 0.00 C ATOM 405 SG CYS A 53 9.880 -4.680 1.370 1.00 0.00 S ATOM 0 H CYS A 53 7.742 -5.425 -2.555 1.00 0.00 H new ATOM 0 HA CYS A 53 8.493 -6.815 -0.041 1.00 0.00 H new ATOM 0 HB2 CYS A 53 10.231 -5.161 -0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.041 -3.893 -0.761 1.00 0.00 H new ATOM 406 N PRO A 54 6.530 -5.890 1.240 1.00 0.00 N ATOM 407 CA PRO A 54 5.240 -5.530 1.860 1.00 0.00 C ATOM 408 C PRO A 54 5.020 -4.120 2.450 1.00 0.00 C ATOM 409 O PRO A 54 4.300 -3.330 1.860 1.00 0.00 O ATOM 410 CB PRO A 54 4.980 -6.600 2.910 1.00 0.00 C ATOM 411 CG PRO A 54 5.870 -7.770 2.500 1.00 0.00 C ATOM 412 CD PRO A 54 7.100 -7.070 1.920 1.00 0.00 C ATOM 0 HA PRO A 54 4.530 -5.487 1.034 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.230 -6.243 3.909 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.929 -6.889 2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.127 -8.401 3.351 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.384 -8.410 1.764 1.00 0.00 H new ATOM 0 HD2 PRO A 54 7.805 -6.783 2.700 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.639 -7.714 1.225 1.00 0.00 H new ATOM 413 N ALA A 55 5.770 -3.750 3.490 1.00 0.00 N ATOM 414 CA ALA A 55 5.630 -2.540 4.300 1.00 0.00 C ATOM 415 C ALA A 55 5.780 -1.220 3.500 1.00 0.00 C ATOM 416 O ALA A 55 4.890 -0.380 3.520 1.00 0.00 O ATOM 417 CB ALA A 55 6.510 -2.520 5.520 1.00 0.00 C ATOM 0 H ALA A 55 6.546 -4.330 3.810 1.00 0.00 H new ATOM 0 HA ALA A 55 4.597 -2.590 4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.350 -1.592 6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.264 -3.367 6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.555 -2.586 5.216 1.00 0.00 H new ATOM 418 N CYS A 56 6.530 -1.510 2.440 1.00 0.00 N ATOM 419 CA CYS A 56 7.100 -0.790 1.270 1.00 0.00 C ATOM 420 C CYS A 56 5.860 -0.010 0.720 1.00 0.00 C ATOM 421 O CYS A 56 5.800 1.210 0.700 1.00 0.00 O ATOM 422 CB CYS A 56 7.710 -1.800 0.440 1.00 0.00 C ATOM 423 SG CYS A 56 8.750 -1.590 -1.080 1.00 0.00 S ATOM 0 H CYS A 56 6.823 -2.484 2.359 1.00 0.00 H new ATOM 0 HA CYS A 56 7.898 -0.063 1.419 1.00 0.00 H new ATOM 0 HB2 CYS A 56 8.327 -2.386 1.121 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.885 -2.440 0.127 1.00 0.00 H new ATOM 0 HG CYS A 56 10.006 -1.716 -0.768 1.00 0.00 H new ATOM 424 N ARG A 57 4.800 -0.790 0.530 1.00 0.00 N ATOM 425 CA ARG A 57 3.520 -0.330 -0.050 1.00 0.00 C ATOM 426 C ARG A 57 2.500 0.300 0.900 1.00 0.00 C ATOM 427 O ARG A 57 2.220 1.490 0.790 1.00 0.00 O ATOM 428 CB ARG A 57 3.040 -1.600 -0.720 1.00 0.00 C ATOM 429 CG ARG A 57 2.100 -1.450 -1.930 1.00 0.00 C ATOM 430 CD ARG A 57 1.990 -2.810 -2.620 1.00 0.00 C ATOM 431 NE ARG A 57 1.160 -2.770 -3.830 1.00 0.00 N ATOM 432 CZ ARG A 57 1.020 -3.750 -4.730 1.00 0.00 C ATOM 433 NH1 ARG A 57 1.570 -4.960 -4.560 1.00 0.00 N ATOM 434 NH2 ARG A 57 0.280 -3.560 -5.830 1.00 0.00 N ATOM 0 H ARG A 57 4.796 -1.780 0.776 1.00 0.00 H new ATOM 0 HA ARG A 57 3.657 0.525 -0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.916 -2.163 -1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.530 -2.205 0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.117 -1.107 -1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.488 -0.703 -2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.988 -3.161 -2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.570 -3.534 -1.921 1.00 0.00 H new ATOM 0 HE ARG A 57 0.639 -1.910 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.117 -5.158 -3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.442 -5.683 -5.268 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.181 -2.664 -5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.178 -4.312 -6.512 1.00 0.00 H new ATOM 435 N TYR A 58 2.350 -0.390 2.030 1.00 0.00 N ATOM 436 CA TYR A 58 1.400 -0.070 3.110 1.00 0.00 C ATOM 437 C TYR A 58 1.720 1.340 3.630 1.00 0.00 C ATOM 438 O TYR A 58 0.860 2.210 3.520 1.00 0.00 O ATOM 439 CB TYR A 58 1.490 -1.170 4.140 1.00 0.00 C ATOM 440 CG TYR A 58 0.590 -1.090 5.380 1.00 0.00 C ATOM 441 CD1 TYR A 58 0.360 0.100 6.090 1.00 0.00 C ATOM 442 CD2 TYR A 58 0.120 -2.320 5.780 1.00 0.00 C ATOM 443 CE1 TYR A 58 -0.380 0.020 7.270 1.00 0.00 C ATOM 444 CE2 TYR A 58 -0.750 -2.370 6.890 1.00 0.00 C ATOM 445 CZ TYR A 58 -0.910 -1.220 7.670 1.00 0.00 C ATOM 446 OH TYR A 58 -1.450 -1.340 8.900 1.00 0.00 O ATOM 0 H TYR A 58 2.906 -1.221 2.232 1.00 0.00 H new ATOM 0 HA TYR A 58 0.361 -0.038 2.782 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.277 -2.113 3.637 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.523 -1.218 4.483 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.743 1.045 5.734 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.409 -3.221 5.259 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.544 0.902 7.871 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.282 -3.278 7.132 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.826 -0.479 9.178 1.00 0.00 H new ATOM 447 N ARG A 59 3.000 1.600 3.910 1.00 0.00 N ATOM 448 CA ARG A 59 3.430 2.910 4.410 1.00 0.00 C ATOM 449 C ARG A 59 3.010 4.070 3.510 1.00 0.00 C ATOM 450 O ARG A 59 2.150 4.860 3.890 1.00 0.00 O ATOM 451 CB ARG A 59 4.940 2.970 4.740 1.00 0.00 C ATOM 452 CG ARG A 59 5.910 2.570 3.640 1.00 0.00 C ATOM 453 CD ARG A 59 6.290 3.880 3.000 1.00 0.00 C ATOM 454 NE ARG A 59 6.820 3.680 1.640 1.00 0.00 N ATOM 455 CZ ARG A 59 7.330 4.600 0.820 1.00 0.00 C ATOM 456 NH1 ARG A 59 7.180 5.910 1.030 1.00 0.00 N ATOM 457 NH2 ARG A 59 7.830 4.220 -0.360 1.00 0.00 N ATOM 0 H ARG A 59 3.755 0.923 3.800 1.00 0.00 H new ATOM 0 HA ARG A 59 2.894 3.034 5.351 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.178 3.989 5.046 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.123 2.327 5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.782 2.055 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.444 1.895 2.922 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.419 4.533 2.960 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.038 4.383 3.613 1.00 0.00 H new ATOM 0 HE ARG A 59 6.794 2.725 1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.659 6.240 1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.586 6.581 0.378 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.819 3.235 -0.625 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.223 4.915 -0.995 1.00 0.00 H new ATOM 458 N LYS A 60 3.210 3.860 2.210 1.00 0.00 N ATOM 459 CA LYS A 60 2.860 4.890 1.230 1.00 0.00 C ATOM 460 C LYS A 60 1.410 4.900 0.810 1.00 0.00 C ATOM 461 O LYS A 60 0.900 5.970 0.490 1.00 0.00 O ATOM 462 CB LYS A 60 3.830 4.720 0.040 1.00 0.00 C ATOM 463 CG LYS A 60 4.150 6.020 -0.710 1.00 0.00 C ATOM 464 CD LYS A 60 5.010 5.660 -1.920 1.00 0.00 C ATOM 465 CE LYS A 60 5.180 6.830 -2.890 1.00 0.00 C ATOM 466 NZ LYS A 60 5.850 6.360 -4.120 1.00 0.00 N ATOM 0 H LYS A 60 3.604 3.006 1.815 1.00 0.00 H new ATOM 0 HA LYS A 60 2.974 5.871 1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.761 4.287 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.401 4.006 -0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.232 6.514 -1.027 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.678 6.717 -0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.991 5.331 -1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.557 4.820 -2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.208 7.258 -3.134 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.768 7.620 -2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.844 7.119 -4.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.832 6.098 -3.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.346 5.531 -4.495 1.00 0.00 H new ATOM 467 N CYS A 61 0.670 3.840 1.140 1.00 0.00 N ATOM 468 CA CYS A 61 -0.790 3.770 0.950 1.00 0.00 C ATOM 469 C CYS A 61 -1.390 4.790 1.930 1.00 0.00 C ATOM 470 O CYS A 61 -2.000 5.750 1.460 1.00 0.00 O ATOM 471 CB CYS A 61 -1.300 2.370 1.240 1.00 0.00 C ATOM 472 SG CYS A 61 -0.790 1.120 0.010 1.00 0.00 S ATOM 0 H CYS A 61 1.066 2.995 1.551 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.073 3.996 -0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.945 2.062 2.223 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.389 2.394 1.287 1.00 0.00 H new ATOM 0 HG CYS A 61 -1.560 1.200 -1.035 1.00 0.00 H new ATOM 473 N LEU A 62 -0.750 4.880 3.090 1.00 0.00 N ATOM 474 CA LEU A 62 -1.180 5.750 4.210 1.00 0.00 C ATOM 475 C LEU A 62 -0.920 7.230 3.860 1.00 0.00 C ATOM 476 O LEU A 62 -1.790 8.090 3.980 1.00 0.00 O ATOM 477 CB LEU A 62 -0.520 5.440 5.530 1.00 0.00 C ATOM 478 CG LEU A 62 -0.490 3.940 5.790 1.00 0.00 C ATOM 479 CD1 LEU A 62 0.450 3.720 6.950 1.00 0.00 C ATOM 480 CD2 LEU A 62 -1.890 3.420 6.060 1.00 0.00 C ATOM 0 H LEU A 62 0.096 4.348 3.295 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.244 5.552 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.497 5.833 5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.057 5.941 6.335 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.133 3.385 4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.506 2.655 7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.442 4.088 6.689 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.082 4.258 7.824 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.850 2.346 6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.302 3.923 6.935 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.524 3.617 5.196 1.00 0.00 H new ATOM 481 N GLN A 63 0.280 7.400 3.310 1.00 0.00 N ATOM 482 CA GLN A 63 1.050 8.590 2.940 1.00 0.00 C ATOM 483 C GLN A 63 0.420 9.260 1.690 1.00 0.00 C ATOM 484 O GLN A 63 0.540 10.470 1.480 1.00 0.00 O ATOM 485 CB GLN A 63 2.470 8.190 3.060 1.00 0.00 C ATOM 486 CG GLN A 63 2.830 7.830 4.480 1.00 0.00 C ATOM 487 CD GLN A 63 4.210 7.160 4.670 1.00 0.00 C ATOM 488 OE1 GLN A 63 4.370 6.130 5.310 1.00 0.00 O ATOM 489 NE2 GLN A 63 5.250 7.820 4.180 1.00 0.00 N ATOM 0 H GLN A 63 0.822 6.568 3.076 1.00 0.00 H new ATOM 0 HA GLN A 63 1.012 9.472 3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.665 7.338 2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.108 9.005 2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.800 8.737 5.084 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.064 7.160 4.871 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.105 8.678 3.648 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.195 7.470 4.335 1.00 0.00 H new ATOM 490 N ALA A 64 -0.120 8.400 0.850 1.00 0.00 N ATOM 491 CA ALA A 64 -0.850 8.740 -0.380 1.00 0.00 C ATOM 492 C ALA A 64 -2.250 9.270 -0.040 1.00 0.00 C ATOM 493 O ALA A 64 -2.920 9.920 -0.840 1.00 0.00 O ATOM 494 CB ALA A 64 -0.980 7.490 -1.250 1.00 0.00 C ATOM 0 H ALA A 64 -0.065 7.393 1.004 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.300 9.513 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.521 7.737 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.013 7.119 -1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.525 6.721 -0.703 1.00 0.00 H new ATOM 495 N GLY A 65 -2.740 8.540 0.950 1.00 0.00 N ATOM 496 CA GLY A 65 -3.970 8.640 1.730 1.00 0.00 C ATOM 497 C GLY A 65 -5.110 7.760 1.200 1.00 0.00 C ATOM 498 O GLY A 65 -6.310 8.030 1.270 1.00 0.00 O ATOM 0 H GLY A 65 -2.199 7.739 1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.758 8.362 2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.300 9.679 1.740 1.00 0.00 H new ATOM 499 N MET A 66 -4.580 6.550 1.030 1.00 0.00 N ATOM 500 CA MET A 66 -5.300 5.360 0.620 1.00 0.00 C ATOM 501 C MET A 66 -5.600 4.600 1.920 1.00 0.00 C ATOM 502 O MET A 66 -4.680 4.110 2.560 1.00 0.00 O ATOM 503 CB MET A 66 -4.570 4.420 -0.340 1.00 0.00 C ATOM 504 CG MET A 66 -5.530 3.320 -0.810 1.00 0.00 C ATOM 505 SD MET A 66 -4.940 1.610 -0.540 1.00 0.00 S ATOM 506 CE MET A 66 -5.640 1.240 1.050 1.00 0.00 C ATOM 0 H MET A 66 -3.588 6.371 1.184 1.00 0.00 H new ATOM 0 HA MET A 66 -6.175 5.685 0.056 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.194 4.979 -1.197 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.706 3.976 0.155 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.482 3.445 -0.294 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.723 3.458 -1.874 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.035 0.482 1.547 1.00 0.00 H new ATOM 0 HE2 MET A 66 -5.660 2.144 1.658 1.00 0.00 H new ATOM 0 HE3 MET A 66 -6.656 0.867 0.922 1.00 0.00 H new ATOM 507 N ASN A 67 -6.890 4.420 2.200 1.00 0.00 N ATOM 508 CA ASN A 67 -7.280 3.830 3.490 1.00 0.00 C ATOM 509 C ASN A 67 -8.710 3.300 3.660 1.00 0.00 C ATOM 510 O ASN A 67 -9.700 3.850 3.200 1.00 0.00 O ATOM 511 CB ASN A 67 -6.870 4.770 4.610 1.00 0.00 C ATOM 512 CG ASN A 67 -7.060 4.380 6.090 1.00 0.00 C ATOM 513 OD1 ASN A 67 -8.080 3.860 6.540 1.00 0.00 O ATOM 514 ND2 ASN A 67 -6.050 4.670 6.900 1.00 0.00 N ATOM 0 H ASN A 67 -7.662 4.662 1.579 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.728 2.891 3.530 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.811 4.987 4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.410 5.704 4.455 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.119 4.462 7.896 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.204 5.101 6.527 1.00 0.00 H new ATOM 515 N LEU A 68 -8.720 2.150 4.340 1.00 0.00 N ATOM 516 CA LEU A 68 -9.850 1.290 4.690 1.00 0.00 C ATOM 517 C LEU A 68 -11.040 2.100 5.290 1.00 0.00 C ATOM 518 O LEU A 68 -12.160 2.020 4.800 1.00 0.00 O ATOM 519 CB LEU A 68 -9.360 0.040 5.330 1.00 0.00 C ATOM 520 CG LEU A 68 -8.670 0.150 6.690 1.00 0.00 C ATOM 521 CD1 LEU A 68 -9.830 -0.170 7.620 1.00 0.00 C ATOM 522 CD2 LEU A 68 -7.630 -0.930 6.940 1.00 0.00 C ATOM 0 H LEU A 68 -7.847 1.760 4.694 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.364 0.886 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.210 -0.633 5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.664 -0.437 4.640 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.159 1.107 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.489 -0.131 8.654 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.626 0.560 7.473 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.208 -1.169 7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.185 -0.785 7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.106 -1.910 6.897 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.853 -0.870 6.178 1.00 0.00 H new ATOM 523 N GLU A 69 -10.690 3.060 6.140 1.00 0.00 N ATOM 524 CA GLU A 69 -11.610 3.980 6.830 1.00 0.00 C ATOM 525 C GLU A 69 -11.730 5.250 5.970 1.00 0.00 C ATOM 526 O GLU A 69 -11.650 6.370 6.460 1.00 0.00 O ATOM 527 CB GLU A 69 -11.040 4.180 8.220 1.00 0.00 C ATOM 528 CG GLU A 69 -11.970 4.980 9.150 1.00 0.00 C ATOM 529 CD GLU A 69 -11.550 4.790 10.610 1.00 0.00 C ATOM 530 OE1 GLU A 69 -10.690 5.570 11.070 1.00 0.00 O ATOM 531 OE2 GLU A 69 -12.080 3.840 11.230 1.00 0.00 O ATOM 0 H GLU A 69 -9.714 3.232 6.383 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.629 3.613 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.841 3.206 8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.083 4.697 8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.935 6.038 8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.001 4.652 9.015 1.00 0.00 H new ATOM 532 N ALA A 70 -11.950 5.010 4.680 1.00 0.00 N ATOM 533 CA ALA A 70 -12.080 5.990 3.580 1.00 0.00 C ATOM 534 C ALA A 70 -10.810 6.800 3.320 1.00 0.00 C ATOM 535 O ALA A 70 -10.250 6.730 2.220 1.00 0.00 O ATOM 536 CB ALA A 70 -13.310 6.900 3.700 1.00 0.00 C ATOM 0 H ALA A 70 -12.052 4.054 4.339 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.239 5.368 2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -13.335 7.590 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.214 6.292 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.255 7.465 4.630 1.00 0.00 H new ATOM 537 N ARG A 71 -10.340 7.500 4.340 1.00 0.00 N ATOM 538 CA ARG A 71 -9.130 8.340 4.310 1.00 0.00 C ATOM 539 C ARG A 71 -8.120 7.850 5.350 1.00 0.00 C ATOM 540 O ARG A 71 -8.560 7.280 6.380 1.00 0.00 O ATOM 541 CB ARG A 71 -9.500 9.790 4.620 1.00 0.00 C ATOM 542 CG ARG A 71 -9.150 10.680 3.420 1.00 0.00 C ATOM 543 CD ARG A 71 -9.940 11.990 3.420 1.00 0.00 C ATOM 544 NE ARG A 71 -9.400 12.860 2.370 1.00 0.00 N ATOM 545 CZ ARG A 71 -8.930 14.110 2.530 1.00 0.00 C ATOM 546 NH1 ARG A 71 -8.830 14.680 3.740 1.00 0.00 N ATOM 547 NH2 ARG A 71 -8.480 14.790 1.470 1.00 0.00 N ATOM 548 OXT ARG A 71 -6.910 8.040 5.090 1.00 0.00 O ATOM 0 H ARG A 71 -10.800 7.506 5.250 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.686 8.276 3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.565 9.864 4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.965 10.131 5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.083 10.902 3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.351 10.137 2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.998 11.794 3.243 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.864 12.478 4.392 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.379 12.479 1.424 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.115 14.163 4.572 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.469 15.630 3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.494 14.360 0.545 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.123 15.738 1.587 1.00 0.00 H new TER 549 ARG A 71 HETATM 550 ZN ZN A 72 -0.603 -0.540 -5.628 1.00 0.00 ZN HETATM 551 ZN ZN A 73 10.350 -2.503 1.025 1.00 0.00 ZN