USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=20 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 33 HIS : no HE2:sc= 0.494 K(o=0.49,f=-1.7!) USER MOD Set 1.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 17 THR OG1 : rot 89:sc= -2.49 USER MOD Set 2.2: A 22 LYS NZ :NH3+ -162:sc= -4.62! (180deg=-5.13!) USER MOD Set 3.1: A 20 SER OG : rot -56:sc= 0.282 USER MOD Set 3.2: A 51 LYS NZ :NH3+ -132:sc= 1.73 (180deg=1.46) USER MOD Set 4.1: A 5 SER OG : rot -101:sc= 0.966 USER MOD Set 4.2: A 47 LYS NZ :NH3+ -167:sc= 0.752 (180deg=-0.62) USER MOD Single : A 1 CYS N :NH3+ -124:sc= -1.61 (180deg=-4.33!) USER MOD Single : A 4 CYS SG : rot 180:sc= -0.075 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.127 USER MOD Single : A 12 HIS : no HD1:sc= -0.268 K(o=-0.27,f=-1.3) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -108:sc= -1.41 (180deg=-3.19!) USER MOD Single : A 32 GLN : amide:sc= 0.514 K(o=0.51,f=-4.7!) USER MOD Single : A 34 ASN : amide:sc= -0.0301 X(o=-0.03,f=-0.42) USER MOD Single : A 41 ASN :FLIP amide:sc= 0.797 F(o=-0.11,f=0.8) USER MOD Single : A 52 ASN : amide:sc= -5.39! C(o=-5.4!,f=-5.3!) USER MOD Single : A 53 CYS SG : rot -150:sc= -0.268 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -130:sc= 1.65 (180deg=0.512) USER MOD Single : A 61 CYS SG : rot 76:sc= -0.864! USER MOD Single : A 63 GLN : amide:sc= -0.787 X(o=-0.79,f=-0.8) USER MOD Single : A 66 MET CE :methyl 163:sc= -3.88! (180deg=-6.36!) USER MOD Single : A 67 ASN : amide:sc= -4.39! C(o=-4.4!,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -1.270 2.930 -8.680 1.00 0.00 N ATOM 2 CA CYS A 1 -0.960 3.230 -7.260 1.00 0.00 C ATOM 3 C CYS A 1 -0.620 4.720 -7.280 1.00 0.00 C ATOM 4 O CYS A 1 -0.120 5.290 -8.250 1.00 0.00 O ATOM 5 CB CYS A 1 -0.240 2.240 -6.470 1.00 0.00 C ATOM 6 SG CYS A 1 0.020 2.540 -4.680 1.00 0.00 S ATOM 0 H1 CYS A 1 -2.222 2.517 -8.748 1.00 0.00 H new ATOM 0 H2 CYS A 1 -1.233 3.808 -9.236 1.00 0.00 H new ATOM 0 H3 CYS A 1 -0.572 2.255 -9.052 1.00 0.00 H new ATOM 0 HA CYS A 1 -1.786 3.078 -6.565 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -0.769 1.292 -6.570 1.00 0.00 H new ATOM 0 HB3 CYS A 1 0.741 2.107 -6.926 1.00 0.00 H new ATOM 7 N LEU A 2 -1.160 5.320 -6.250 1.00 0.00 N ATOM 8 CA LEU A 2 -0.910 6.720 -5.810 1.00 0.00 C ATOM 9 C LEU A 2 0.560 6.850 -5.370 1.00 0.00 C ATOM 10 O LEU A 2 1.130 7.930 -5.380 1.00 0.00 O ATOM 11 CB LEU A 2 -1.930 7.060 -4.770 1.00 0.00 C ATOM 12 CG LEU A 2 -2.630 8.050 -5.670 1.00 0.00 C ATOM 13 CD1 LEU A 2 -4.030 8.370 -5.200 1.00 0.00 C ATOM 14 CD2 LEU A 2 -1.960 9.360 -5.880 1.00 0.00 C ATOM 0 H LEU A 2 -1.827 4.841 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.032 7.452 -6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -2.552 6.219 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -1.514 7.498 -3.863 1.00 0.00 H new ATOM 0 HG LEU A 2 -2.615 7.509 -6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.488 9.086 -5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.625 7.457 -5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -3.989 8.798 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -2.566 9.976 -6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.843 9.867 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.979 9.199 -6.328 1.00 0.00 H new ATOM 15 N VAL A 3 1.110 5.700 -5.020 1.00 0.00 N ATOM 16 CA VAL A 3 2.450 5.590 -4.420 1.00 0.00 C ATOM 17 C VAL A 3 3.390 4.930 -5.470 1.00 0.00 C ATOM 18 O VAL A 3 4.020 5.560 -6.320 1.00 0.00 O ATOM 19 CB VAL A 3 2.610 4.980 -3.120 1.00 0.00 C ATOM 20 CG1 VAL A 3 3.890 4.510 -2.480 1.00 0.00 C ATOM 21 CG2 VAL A 3 1.790 5.720 -2.070 1.00 0.00 C ATOM 0 H VAL A 3 0.643 4.801 -5.141 1.00 0.00 H new ATOM 0 HA VAL A 3 2.711 6.620 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 3 2.280 4.002 -3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.674 4.096 -1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.348 3.743 -3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.576 5.351 -2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.926 5.243 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.121 6.757 -2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.736 5.690 -2.344 1.00 0.00 H new ATOM 22 N CYS A 4 3.130 3.620 -5.520 1.00 0.00 N ATOM 23 CA CYS A 4 3.920 2.610 -6.220 1.00 0.00 C ATOM 24 C CYS A 4 3.950 2.790 -7.760 1.00 0.00 C ATOM 25 O CYS A 4 4.680 2.160 -8.510 1.00 0.00 O ATOM 26 CB CYS A 4 4.040 1.170 -5.830 1.00 0.00 C ATOM 27 SG CYS A 4 2.590 0.050 -6.100 1.00 0.00 S ATOM 0 H CYS A 4 2.320 3.218 -5.048 1.00 0.00 H new ATOM 0 HA CYS A 4 4.824 2.927 -5.701 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.887 0.750 -6.373 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.292 1.135 -4.770 1.00 0.00 H new ATOM 0 HG CYS A 4 2.890 -1.151 -5.703 1.00 0.00 H new ATOM 28 N SER A 5 2.850 3.450 -8.080 1.00 0.00 N ATOM 29 CA SER A 5 2.430 3.950 -9.400 1.00 0.00 C ATOM 30 C SER A 5 2.280 3.000 -10.560 1.00 0.00 C ATOM 31 O SER A 5 2.060 3.390 -11.710 1.00 0.00 O ATOM 32 CB SER A 5 3.220 5.230 -9.700 1.00 0.00 C ATOM 33 OG SER A 5 4.610 4.970 -9.920 1.00 0.00 O ATOM 0 H SER A 5 2.158 3.675 -7.365 1.00 0.00 H new ATOM 0 HA SER A 5 1.365 4.156 -9.295 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.800 5.716 -10.580 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.110 5.926 -8.868 1.00 0.00 H new ATOM 0 HG SER A 5 5.116 5.193 -9.111 1.00 0.00 H new ATOM 34 N ASP A 6 1.700 1.940 -10.010 1.00 0.00 N ATOM 35 CA ASP A 6 1.250 0.710 -10.660 1.00 0.00 C ATOM 36 C ASP A 6 -0.210 0.960 -11.130 1.00 0.00 C ATOM 37 O ASP A 6 -1.120 0.240 -10.730 1.00 0.00 O ATOM 38 CB ASP A 6 1.330 -0.340 -9.560 1.00 0.00 C ATOM 39 CG ASP A 6 1.090 -1.790 -10.020 1.00 0.00 C ATOM 40 OD1 ASP A 6 1.220 -2.060 -11.230 1.00 0.00 O ATOM 41 OD2 ASP A 6 0.760 -2.600 -9.120 1.00 0.00 O ATOM 0 H ASP A 6 1.515 1.915 -9.007 1.00 0.00 H new ATOM 0 HA ASP A 6 1.831 0.396 -11.527 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.314 -0.281 -9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.598 -0.094 -8.791 1.00 0.00 H new ATOM 42 N GLU A 7 -0.430 2.070 -11.840 1.00 0.00 N ATOM 43 CA GLU A 7 -1.740 2.540 -12.300 1.00 0.00 C ATOM 44 C GLU A 7 -3.040 1.940 -11.780 1.00 0.00 C ATOM 45 O GLU A 7 -3.710 1.090 -12.360 1.00 0.00 O ATOM 46 CB GLU A 7 -1.550 2.620 -13.820 1.00 0.00 C ATOM 47 CG GLU A 7 -2.500 3.620 -14.460 1.00 0.00 C ATOM 48 CD GLU A 7 -3.800 2.970 -14.940 1.00 0.00 C ATOM 49 OE1 GLU A 7 -3.780 2.410 -16.050 1.00 0.00 O ATOM 50 OE2 GLU A 7 -4.800 3.140 -14.210 1.00 0.00 O ATOM 0 H GLU A 7 0.329 2.690 -12.121 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.975 3.489 -11.819 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.521 2.903 -14.043 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.711 1.635 -14.258 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.734 4.405 -13.741 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.004 4.099 -15.304 1.00 0.00 H new ATOM 51 N ALA A 8 -3.510 2.970 -11.110 1.00 0.00 N ATOM 52 CA ALA A 8 -4.650 3.040 -10.190 1.00 0.00 C ATOM 53 C ALA A 8 -6.010 3.190 -10.920 1.00 0.00 C ATOM 54 O ALA A 8 -6.180 3.990 -11.830 1.00 0.00 O ATOM 55 CB ALA A 8 -4.280 4.260 -9.410 1.00 0.00 C ATOM 0 H ALA A 8 -3.062 3.882 -11.199 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.804 2.142 -9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.046 4.459 -8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.322 4.099 -8.916 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.202 5.113 -10.084 1.00 0.00 H new ATOM 56 N SER A 9 -7.000 2.650 -10.200 1.00 0.00 N ATOM 57 CA SER A 9 -8.430 2.610 -10.580 1.00 0.00 C ATOM 58 C SER A 9 -9.230 2.100 -9.370 1.00 0.00 C ATOM 59 O SER A 9 -8.700 1.400 -8.510 1.00 0.00 O ATOM 60 CB SER A 9 -8.680 1.680 -11.770 1.00 0.00 C ATOM 61 OG SER A 9 -10.050 1.780 -12.180 1.00 0.00 O ATOM 0 H SER A 9 -6.827 2.208 -9.297 1.00 0.00 H new ATOM 0 HA SER A 9 -8.741 3.613 -10.873 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.022 1.947 -12.597 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.446 0.651 -11.496 1.00 0.00 H new ATOM 0 HG SER A 9 -10.207 1.185 -12.943 1.00 0.00 H new ATOM 62 N GLY A 10 -10.500 2.500 -9.340 1.00 0.00 N ATOM 63 CA GLY A 10 -11.450 2.160 -8.260 1.00 0.00 C ATOM 64 C GLY A 10 -11.030 2.740 -6.900 1.00 0.00 C ATOM 65 O GLY A 10 -10.120 2.250 -6.240 1.00 0.00 O ATOM 0 H GLY A 10 -10.913 3.078 -10.072 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.440 2.534 -8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.530 1.076 -8.180 1.00 0.00 H new ATOM 66 N CYS A 11 -11.770 3.770 -6.500 1.00 0.00 N ATOM 67 CA CYS A 11 -11.530 4.500 -5.240 1.00 0.00 C ATOM 68 C CYS A 11 -11.560 3.630 -3.980 1.00 0.00 C ATOM 69 O CYS A 11 -10.520 3.490 -3.330 1.00 0.00 O ATOM 70 CB CYS A 11 -12.510 5.670 -5.100 1.00 0.00 C ATOM 71 SG CYS A 11 -14.270 5.190 -5.280 1.00 0.00 S ATOM 0 H CYS A 11 -12.559 4.130 -7.037 1.00 0.00 H new ATOM 0 HA CYS A 11 -10.508 4.872 -5.315 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.368 6.135 -4.124 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -12.270 6.424 -5.850 1.00 0.00 H new ATOM 0 HG CYS A 11 -15.023 6.241 -5.145 1.00 0.00 H new ATOM 72 N HIS A 12 -12.660 2.880 -3.850 1.00 0.00 N ATOM 73 CA HIS A 12 -13.020 1.960 -2.720 1.00 0.00 C ATOM 74 C HIS A 12 -12.690 2.570 -1.350 1.00 0.00 C ATOM 75 O HIS A 12 -13.550 3.230 -0.780 1.00 0.00 O ATOM 76 CB HIS A 12 -12.420 0.580 -2.970 1.00 0.00 C ATOM 77 CG HIS A 12 -12.590 0.060 -4.400 1.00 0.00 C ATOM 78 ND1 HIS A 12 -11.620 -0.270 -5.240 1.00 0.00 N ATOM 79 CD2 HIS A 12 -13.740 -0.280 -4.960 1.00 0.00 C ATOM 80 CE1 HIS A 12 -12.160 -0.850 -6.310 1.00 0.00 C ATOM 81 NE2 HIS A 12 -13.480 -0.850 -6.140 1.00 0.00 N ATOM 0 H HIS A 12 -13.383 2.887 -4.570 1.00 0.00 H new ATOM 0 HA HIS A 12 -14.101 1.825 -2.689 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.356 0.613 -2.733 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.878 -0.131 -2.282 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.721 -0.123 -4.536 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.625 -1.247 -7.160 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -14.170 -1.219 -6.794 1.00 0.00 H new ATOM 82 N TYR A 13 -11.430 2.480 -0.920 1.00 0.00 N ATOM 83 CA TYR A 13 -11.040 3.030 0.380 1.00 0.00 C ATOM 84 C TYR A 13 -10.440 4.430 0.080 1.00 0.00 C ATOM 85 O TYR A 13 -9.250 4.650 0.290 1.00 0.00 O ATOM 86 CB TYR A 13 -10.330 2.140 1.400 1.00 0.00 C ATOM 87 CG TYR A 13 -10.970 0.800 1.510 1.00 0.00 C ATOM 88 CD1 TYR A 13 -12.180 1.070 2.000 1.00 0.00 C ATOM 89 CD2 TYR A 13 -10.600 -0.370 0.910 1.00 0.00 C ATOM 90 CE1 TYR A 13 -13.280 0.180 1.740 1.00 0.00 C ATOM 91 CE2 TYR A 13 -11.640 -1.270 0.520 1.00 0.00 C ATOM 92 CZ TYR A 13 -12.970 -0.950 0.940 1.00 0.00 C ATOM 93 OH TYR A 13 -13.980 -1.770 0.550 1.00 0.00 O ATOM 0 H TYR A 13 -10.673 2.039 -1.443 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.927 3.115 1.008 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.285 2.021 1.112 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -10.339 2.627 2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.335 1.959 2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.561 -0.606 0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.272 0.359 2.127 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -11.431 -2.153 -0.066 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.617 -2.500 0.006 1.00 0.00 H new ATOM 94 N GLY A 14 -11.350 5.280 -0.420 1.00 0.00 N ATOM 95 CA GLY A 14 -11.150 6.630 -0.980 1.00 0.00 C ATOM 96 C GLY A 14 -10.040 6.670 -2.060 1.00 0.00 C ATOM 97 O GLY A 14 -10.290 6.890 -3.240 1.00 0.00 O ATOM 0 H GLY A 14 -12.335 5.018 -0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.086 6.982 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.893 7.319 -0.175 1.00 0.00 H new ATOM 98 N VAL A 15 -8.820 6.650 -1.550 1.00 0.00 N ATOM 99 CA VAL A 15 -7.490 6.640 -2.220 1.00 0.00 C ATOM 100 C VAL A 15 -7.410 5.480 -3.220 1.00 0.00 C ATOM 101 O VAL A 15 -7.390 4.290 -2.920 1.00 0.00 O ATOM 102 CB VAL A 15 -6.470 7.320 -1.400 1.00 0.00 C ATOM 103 CG1 VAL A 15 -5.150 7.270 -2.070 1.00 0.00 C ATOM 104 CG2 VAL A 15 -6.810 8.690 -1.100 1.00 0.00 C ATOM 0 H VAL A 15 -8.703 6.639 -0.537 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.151 7.295 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.427 6.782 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.409 7.776 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.854 6.231 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.214 7.766 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.021 9.136 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.915 9.250 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.750 8.719 -0.550 1.00 0.00 H new ATOM 105 N LEU A 16 -7.210 5.980 -4.430 1.00 0.00 N ATOM 106 CA LEU A 16 -7.050 5.190 -5.660 1.00 0.00 C ATOM 107 C LEU A 16 -5.640 4.760 -6.040 1.00 0.00 C ATOM 108 O LEU A 16 -4.670 5.500 -6.210 1.00 0.00 O ATOM 109 CB LEU A 16 -7.860 5.780 -6.820 1.00 0.00 C ATOM 110 CG LEU A 16 -7.390 7.190 -7.110 1.00 0.00 C ATOM 111 CD1 LEU A 16 -7.020 7.290 -8.600 1.00 0.00 C ATOM 112 CD2 LEU A 16 -8.390 8.240 -6.640 1.00 0.00 C ATOM 0 H LEU A 16 -7.151 6.984 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.486 4.225 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.745 5.159 -7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.921 5.785 -6.569 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.493 7.409 -6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.679 8.301 -8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.224 6.581 -8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.894 7.059 -9.208 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.008 9.235 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.342 8.090 -7.150 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.536 8.147 -5.564 1.00 0.00 H new ATOM 113 N THR A 17 -5.570 3.460 -5.890 1.00 0.00 N ATOM 114 CA THR A 17 -4.380 2.610 -6.090 1.00 0.00 C ATOM 115 C THR A 17 -4.820 1.560 -7.110 1.00 0.00 C ATOM 116 O THR A 17 -5.920 1.580 -7.670 1.00 0.00 O ATOM 117 CB THR A 17 -3.890 2.110 -4.800 1.00 0.00 C ATOM 118 OG1 THR A 17 -4.660 1.010 -4.280 1.00 0.00 O ATOM 119 CG2 THR A 17 -3.670 3.060 -3.610 1.00 0.00 C ATOM 0 H THR A 17 -6.385 2.915 -5.607 1.00 0.00 H new ATOM 0 HA THR A 17 -3.508 3.128 -6.488 1.00 0.00 H new ATOM 0 HB THR A 17 -2.893 1.843 -5.151 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.293 0.166 -4.617 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.306 2.492 -2.754 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.936 3.819 -3.881 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.612 3.543 -3.351 1.00 0.00 H new ATOM 120 N CYS A 18 -3.860 0.700 -7.410 1.00 0.00 N ATOM 121 CA CYS A 18 -4.020 -0.460 -8.310 1.00 0.00 C ATOM 122 C CYS A 18 -5.100 -1.510 -7.920 1.00 0.00 C ATOM 123 O CYS A 18 -5.070 -2.640 -8.400 1.00 0.00 O ATOM 124 CB CYS A 18 -2.750 -1.230 -8.540 1.00 0.00 C ATOM 125 SG CYS A 18 -1.550 -1.260 -7.150 1.00 0.00 S ATOM 0 H CYS A 18 -2.917 0.781 -7.030 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.351 0.053 -9.213 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.014 -2.259 -8.786 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.250 -0.812 -9.414 1.00 0.00 H new ATOM 126 N GLY A 19 -6.130 -1.100 -7.180 1.00 0.00 N ATOM 127 CA GLY A 19 -7.170 -2.010 -6.660 1.00 0.00 C ATOM 128 C GLY A 19 -6.620 -2.870 -5.510 1.00 0.00 C ATOM 129 O GLY A 19 -6.950 -2.640 -4.350 1.00 0.00 O ATOM 0 H GLY A 19 -6.274 -0.125 -6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.024 -1.431 -6.310 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.529 -2.655 -7.462 1.00 0.00 H new ATOM 130 N SER A 20 -5.650 -3.700 -5.860 1.00 0.00 N ATOM 131 CA SER A 20 -4.940 -4.630 -4.950 1.00 0.00 C ATOM 132 C SER A 20 -4.540 -4.090 -3.570 1.00 0.00 C ATOM 133 O SER A 20 -4.930 -4.720 -2.600 1.00 0.00 O ATOM 134 CB SER A 20 -3.710 -5.190 -5.650 1.00 0.00 C ATOM 135 OG SER A 20 -2.830 -4.120 -6.010 1.00 0.00 O ATOM 0 H SER A 20 -5.311 -3.758 -6.820 1.00 0.00 H new ATOM 0 HA SER A 20 -5.681 -5.398 -4.730 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.195 -5.892 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.007 -5.744 -6.540 1.00 0.00 H new ATOM 0 HG SER A 20 -3.314 -3.470 -6.561 1.00 0.00 H new ATOM 136 N CYS A 21 -4.100 -2.840 -3.470 1.00 0.00 N ATOM 137 CA CYS A 21 -3.630 -2.250 -2.210 1.00 0.00 C ATOM 138 C CYS A 21 -4.770 -2.130 -1.170 1.00 0.00 C ATOM 139 O CYS A 21 -4.560 -2.390 0.000 1.00 0.00 O ATOM 140 CB CYS A 21 -3.050 -0.840 -2.380 1.00 0.00 C ATOM 141 SG CYS A 21 -1.720 -0.720 -3.630 1.00 0.00 S ATOM 0 H CYS A 21 -4.057 -2.199 -4.263 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.851 -2.933 -1.869 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.855 -0.159 -2.657 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.662 -0.501 -1.420 1.00 0.00 H new ATOM 142 N LYS A 22 -5.990 -1.920 -1.660 1.00 0.00 N ATOM 143 CA LYS A 22 -7.260 -1.870 -0.890 1.00 0.00 C ATOM 144 C LYS A 22 -7.520 -3.210 -0.180 1.00 0.00 C ATOM 145 O LYS A 22 -7.260 -3.330 1.010 1.00 0.00 O ATOM 146 CB LYS A 22 -8.340 -1.490 -1.890 1.00 0.00 C ATOM 147 CG LYS A 22 -8.490 0.030 -1.810 1.00 0.00 C ATOM 148 CD LYS A 22 -8.840 0.740 -3.120 1.00 0.00 C ATOM 149 CE LYS A 22 -7.660 0.780 -4.080 1.00 0.00 C ATOM 150 NZ LYS A 22 -7.670 2.050 -4.800 1.00 0.00 N ATOM 0 H LYS A 22 -6.142 -1.770 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.232 -1.134 -0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.062 -1.800 -2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.281 -1.986 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.263 0.261 -1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.557 0.448 -1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.677 0.230 -3.596 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.167 1.757 -2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.725 0.667 -3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.719 -0.051 -4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.077 1.972 -5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.644 2.284 -5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.296 2.801 -4.185 1.00 0.00 H new ATOM 151 N VAL A 23 -7.520 -4.200 -1.050 1.00 0.00 N ATOM 152 CA VAL A 23 -7.750 -5.640 -0.790 1.00 0.00 C ATOM 153 C VAL A 23 -6.620 -6.250 0.050 1.00 0.00 C ATOM 154 O VAL A 23 -6.860 -7.020 0.970 1.00 0.00 O ATOM 155 CB VAL A 23 -8.210 -6.230 -2.130 1.00 0.00 C ATOM 156 CG1 VAL A 23 -7.760 -7.610 -2.370 1.00 0.00 C ATOM 157 CG2 VAL A 23 -9.610 -5.810 -2.350 1.00 0.00 C ATOM 0 H VAL A 23 -7.347 -4.023 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.558 -5.900 -0.106 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.686 -5.816 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.128 -7.950 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.671 -7.644 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.147 -8.261 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.967 -6.215 -3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.234 -6.183 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.663 -4.722 -2.377 1.00 0.00 H new ATOM 158 N PHE A 24 -5.460 -5.630 -0.100 1.00 0.00 N ATOM 159 CA PHE A 24 -4.260 -5.950 0.660 1.00 0.00 C ATOM 160 C PHE A 24 -4.420 -5.460 2.100 1.00 0.00 C ATOM 161 O PHE A 24 -4.350 -6.270 3.020 1.00 0.00 O ATOM 162 CB PHE A 24 -3.060 -5.200 -0.010 1.00 0.00 C ATOM 163 CG PHE A 24 -1.730 -5.350 0.710 1.00 0.00 C ATOM 164 CD1 PHE A 24 -1.740 -4.760 1.960 1.00 0.00 C ATOM 165 CD2 PHE A 24 -0.510 -5.650 0.090 1.00 0.00 C ATOM 166 CE1 PHE A 24 -0.640 -4.340 2.630 1.00 0.00 C ATOM 167 CE2 PHE A 24 0.700 -5.380 0.820 1.00 0.00 C ATOM 168 CZ PHE A 24 0.600 -4.740 2.100 1.00 0.00 C ATOM 0 H PHE A 24 -5.323 -4.872 -0.769 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.089 -7.026 0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.947 -5.564 -1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.304 -4.140 -0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.698 -4.623 2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.479 -6.071 -0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.711 -3.733 3.520 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.662 -5.653 0.413 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.499 -4.561 2.671 1.00 0.00 H new ATOM 169 N PHE A 25 -4.560 -4.140 2.260 1.00 0.00 N ATOM 170 CA PHE A 25 -4.610 -3.360 3.530 1.00 0.00 C ATOM 171 C PHE A 25 -5.720 -4.080 4.280 1.00 0.00 C ATOM 172 O PHE A 25 -5.370 -4.780 5.200 1.00 0.00 O ATOM 173 CB PHE A 25 -4.990 -1.980 3.090 1.00 0.00 C ATOM 174 CG PHE A 25 -4.970 -0.990 4.250 1.00 0.00 C ATOM 175 CD1 PHE A 25 -3.890 -0.930 5.140 1.00 0.00 C ATOM 176 CD2 PHE A 25 -6.150 -0.270 4.470 1.00 0.00 C ATOM 177 CE1 PHE A 25 -3.970 -0.040 6.230 1.00 0.00 C ATOM 178 CE2 PHE A 25 -6.230 0.570 5.590 1.00 0.00 C ATOM 179 CZ PHE A 25 -5.150 0.670 6.480 1.00 0.00 C ATOM 0 H PHE A 25 -4.650 -3.528 1.449 1.00 0.00 H new ATOM 0 HA PHE A 25 -3.713 -3.289 4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.303 -1.644 2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.986 -2.001 2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.018 -1.550 4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.984 -0.360 3.789 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.115 0.095 6.876 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.128 1.143 5.768 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.229 1.295 7.358 1.00 0.00 H new ATOM 180 N LYS A 26 -6.780 -4.360 3.540 1.00 0.00 N ATOM 181 CA LYS A 26 -7.970 -5.050 3.970 1.00 0.00 C ATOM 182 C LYS A 26 -7.580 -6.360 4.750 1.00 0.00 C ATOM 183 O LYS A 26 -7.740 -6.440 5.970 1.00 0.00 O ATOM 184 CB LYS A 26 -8.980 -5.090 3.000 1.00 0.00 C ATOM 185 CG LYS A 26 -10.450 -5.120 3.200 1.00 0.00 C ATOM 186 CD LYS A 26 -11.350 -6.390 3.060 1.00 0.00 C ATOM 187 CE LYS A 26 -11.020 -7.340 1.900 1.00 0.00 C ATOM 188 NZ LYS A 26 -9.820 -8.130 2.230 1.00 0.00 N ATOM 0 H LYS A 26 -6.828 -4.090 2.558 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.505 -4.470 4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.799 -4.220 2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.759 -5.972 2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.622 -4.741 4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.861 -4.385 2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.290 -6.954 3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.384 -6.064 2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.863 -8.004 1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.852 -6.769 0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.018 -7.800 1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.594 -8.014 3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.000 -9.134 2.029 1.00 0.00 H new ATOM 189 N ARG A 27 -6.910 -7.270 4.050 1.00 0.00 N ATOM 190 CA ARG A 27 -6.330 -8.490 4.620 1.00 0.00 C ATOM 191 C ARG A 27 -5.230 -8.380 5.710 1.00 0.00 C ATOM 192 O ARG A 27 -5.240 -9.090 6.720 1.00 0.00 O ATOM 193 CB ARG A 27 -5.800 -9.430 3.530 1.00 0.00 C ATOM 194 CG ARG A 27 -6.940 -10.100 2.770 1.00 0.00 C ATOM 195 CD ARG A 27 -6.500 -10.580 1.380 1.00 0.00 C ATOM 196 NE ARG A 27 -5.450 -11.610 1.450 1.00 0.00 N ATOM 197 CZ ARG A 27 -4.210 -11.500 0.940 1.00 0.00 C ATOM 198 NH1 ARG A 27 -3.740 -10.360 0.460 1.00 0.00 N ATOM 199 NH2 ARG A 27 -3.370 -12.530 1.040 1.00 0.00 N ATOM 0 H ARG A 27 -6.749 -7.181 3.047 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.203 -8.875 5.147 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.178 -8.868 2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.165 -10.192 3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.311 -10.948 3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.768 -9.399 2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.362 -10.979 0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.134 -9.730 0.804 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.683 -12.482 1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.324 -9.524 0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.794 -10.317 0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.670 -13.390 1.499 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.427 -12.458 0.657 1.00 0.00 H new ATOM 200 N ALA A 28 -4.410 -7.360 5.510 1.00 0.00 N ATOM 201 CA ALA A 28 -3.250 -6.810 6.240 1.00 0.00 C ATOM 202 C ALA A 28 -3.820 -6.490 7.680 1.00 0.00 C ATOM 203 O ALA A 28 -3.640 -7.260 8.620 1.00 0.00 O ATOM 204 CB ALA A 28 -2.540 -5.810 5.440 1.00 0.00 C ATOM 0 H ALA A 28 -4.566 -6.789 4.680 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.399 -7.470 6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.692 -5.426 6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.182 -6.269 4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.216 -4.990 5.198 1.00 0.00 H new ATOM 205 N VAL A 29 -4.860 -5.640 7.610 1.00 0.00 N ATOM 206 CA VAL A 29 -5.810 -4.960 8.530 1.00 0.00 C ATOM 207 C VAL A 29 -6.360 -6.120 9.400 1.00 0.00 C ATOM 208 O VAL A 29 -6.070 -6.330 10.580 1.00 0.00 O ATOM 209 CB VAL A 29 -6.670 -4.020 7.840 1.00 0.00 C ATOM 210 CG1 VAL A 29 -7.750 -3.400 8.630 1.00 0.00 C ATOM 211 CG2 VAL A 29 -5.810 -2.910 7.380 1.00 0.00 C ATOM 0 H VAL A 29 -5.113 -5.343 6.668 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.404 -4.230 9.230 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.163 -4.601 7.061 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.319 -2.719 7.997 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.412 -4.176 9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.319 -2.846 9.464 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.417 -2.174 6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.334 -2.438 8.240 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.044 -3.297 6.708 1.00 0.00 H new ATOM 212 N GLU A 30 -7.020 -6.940 8.600 1.00 0.00 N ATOM 213 CA GLU A 30 -7.770 -8.130 9.080 1.00 0.00 C ATOM 214 C GLU A 30 -6.980 -9.110 9.940 1.00 0.00 C ATOM 215 O GLU A 30 -7.470 -9.510 10.990 1.00 0.00 O ATOM 216 CB GLU A 30 -8.300 -8.780 7.800 1.00 0.00 C ATOM 217 CG GLU A 30 -9.780 -8.790 7.540 1.00 0.00 C ATOM 218 CD GLU A 30 -10.150 -8.240 6.160 1.00 0.00 C ATOM 219 OE1 GLU A 30 -9.970 -8.980 5.160 1.00 0.00 O ATOM 220 OE2 GLU A 30 -10.610 -7.080 6.130 1.00 0.00 O ATOM 0 H GLU A 30 -7.062 -6.814 7.589 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.555 -7.820 9.770 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.822 -8.281 6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.959 -9.815 7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.152 -9.811 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.282 -8.199 8.307 1.00 0.00 H new ATOM 221 N GLY A 31 -5.760 -9.440 9.520 1.00 0.00 N ATOM 222 CA GLY A 31 -4.870 -10.340 10.240 1.00 0.00 C ATOM 223 C GLY A 31 -3.810 -9.610 11.090 1.00 0.00 C ATOM 224 O GLY A 31 -2.750 -10.170 11.350 1.00 0.00 O ATOM 0 H GLY A 31 -5.358 -9.081 8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.464 -10.983 10.889 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.366 -10.989 9.524 1.00 0.00 H new ATOM 225 N GLN A 32 -4.150 -8.390 11.540 1.00 0.00 N ATOM 226 CA GLN A 32 -3.310 -7.460 12.330 1.00 0.00 C ATOM 227 C GLN A 32 -2.090 -6.910 11.560 1.00 0.00 C ATOM 228 O GLN A 32 -1.910 -5.700 11.470 1.00 0.00 O ATOM 229 CB GLN A 32 -2.940 -8.080 13.690 1.00 0.00 C ATOM 230 CG GLN A 32 -2.220 -7.100 14.620 1.00 0.00 C ATOM 231 CD GLN A 32 -0.730 -7.400 14.800 1.00 0.00 C ATOM 232 OE1 GLN A 32 0.050 -7.560 13.870 1.00 0.00 O ATOM 233 NE2 GLN A 32 -0.270 -7.390 16.030 1.00 0.00 N ATOM 0 H GLN A 32 -5.073 -7.999 11.353 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.917 -6.576 12.525 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.847 -8.436 14.179 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.304 -8.950 13.525 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.333 -6.090 14.226 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.705 -7.117 15.596 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.910 -7.257 16.813 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.728 -7.515 16.202 1.00 0.00 H new ATOM 234 N HIS A 33 -1.310 -7.860 11.070 1.00 0.00 N ATOM 235 CA HIS A 33 -0.060 -7.750 10.290 1.00 0.00 C ATOM 236 C HIS A 33 0.700 -6.430 10.540 1.00 0.00 C ATOM 237 O HIS A 33 0.620 -5.490 9.740 1.00 0.00 O ATOM 238 CB HIS A 33 -0.300 -7.980 8.800 1.00 0.00 C ATOM 239 CG HIS A 33 -0.930 -9.310 8.470 1.00 0.00 C ATOM 240 ND1 HIS A 33 -2.140 -9.660 8.050 1.00 0.00 N ATOM 241 CD2 HIS A 33 -0.130 -10.320 8.290 1.00 0.00 C ATOM 242 CE1 HIS A 33 -2.070 -10.910 7.610 1.00 0.00 C ATOM 243 NE2 HIS A 33 -0.820 -11.330 7.770 1.00 0.00 N ATOM 0 H HIS A 33 -1.553 -8.839 11.218 1.00 0.00 H new ATOM 0 HA HIS A 33 0.587 -8.548 10.653 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.940 -7.184 8.420 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.652 -7.902 8.274 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -2.974 -9.073 8.063 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.924 -10.335 8.525 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.885 -11.484 7.195 1.00 0.00 H new ATOM 244 N ASN A 34 1.390 -6.340 11.680 1.00 0.00 N ATOM 245 CA ASN A 34 2.330 -5.230 11.890 1.00 0.00 C ATOM 246 C ASN A 34 3.410 -5.460 10.820 1.00 0.00 C ATOM 247 O ASN A 34 4.160 -6.440 10.870 1.00 0.00 O ATOM 248 CB ASN A 34 2.880 -4.970 13.270 1.00 0.00 C ATOM 249 CG ASN A 34 3.890 -3.810 13.270 1.00 0.00 C ATOM 250 OD1 ASN A 34 5.030 -3.930 12.830 1.00 0.00 O ATOM 251 ND2 ASN A 34 3.440 -2.600 13.530 1.00 0.00 N ATOM 0 H ASN A 34 1.321 -7.001 12.454 1.00 0.00 H new ATOM 0 HA ASN A 34 1.783 -4.292 11.792 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.061 -4.739 13.951 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.362 -5.872 13.646 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.035 -1.788 13.365 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.496 -2.475 13.896 1.00 0.00 H new ATOM 252 N TYR A 35 3.550 -4.470 9.950 1.00 0.00 N ATOM 253 CA TYR A 35 4.190 -4.810 8.670 1.00 0.00 C ATOM 254 C TYR A 35 5.400 -3.830 8.630 1.00 0.00 C ATOM 255 O TYR A 35 5.210 -2.660 8.310 1.00 0.00 O ATOM 256 CB TYR A 35 3.220 -4.690 7.510 1.00 0.00 C ATOM 257 CG TYR A 35 3.090 -5.850 6.600 1.00 0.00 C ATOM 258 CD1 TYR A 35 3.320 -7.220 6.850 1.00 0.00 C ATOM 259 CD2 TYR A 35 2.020 -5.400 5.870 1.00 0.00 C ATOM 260 CE1 TYR A 35 2.380 -8.150 6.360 1.00 0.00 C ATOM 261 CE2 TYR A 35 1.120 -6.310 5.260 1.00 0.00 C ATOM 262 CZ TYR A 35 1.310 -7.690 5.550 1.00 0.00 C ATOM 263 OH TYR A 35 0.310 -8.550 5.250 1.00 0.00 O ATOM 0 H TYR A 35 3.260 -3.501 10.078 1.00 0.00 H new ATOM 0 HA TYR A 35 4.518 -5.846 8.582 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.233 -4.472 7.919 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.516 -3.827 6.913 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.190 -7.546 7.400 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.861 -4.338 5.758 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.473 -9.199 6.598 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.329 -5.972 4.607 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.354 -8.097 4.689 1.00 0.00 H new ATOM 264 N LEU A 36 6.560 -4.220 9.190 1.00 0.00 N ATOM 265 CA LEU A 36 7.780 -3.390 9.140 1.00 0.00 C ATOM 266 C LEU A 36 8.420 -3.170 7.750 1.00 0.00 C ATOM 267 O LEU A 36 9.090 -4.040 7.200 1.00 0.00 O ATOM 268 CB LEU A 36 8.790 -3.920 10.170 1.00 0.00 C ATOM 269 CG LEU A 36 10.030 -3.030 10.270 1.00 0.00 C ATOM 270 CD1 LEU A 36 9.670 -1.560 10.520 1.00 0.00 C ATOM 271 CD2 LEU A 36 10.960 -3.560 11.360 1.00 0.00 C ATOM 0 H LEU A 36 6.679 -5.105 9.683 1.00 0.00 H new ATOM 0 HA LEU A 36 7.457 -2.381 9.397 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.311 -3.985 11.147 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.091 -4.931 9.895 1.00 0.00 H new ATOM 0 HG LEU A 36 10.546 -3.065 9.311 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.583 -0.968 10.584 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.055 -1.191 9.699 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.116 -1.475 11.455 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.842 -2.923 11.427 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.437 -3.559 12.317 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.265 -4.577 11.115 1.00 0.00 H new ATOM 272 N CYS A 37 8.220 -1.970 7.210 1.00 0.00 N ATOM 273 CA CYS A 37 8.860 -1.540 5.950 1.00 0.00 C ATOM 274 C CYS A 37 10.370 -1.500 5.930 1.00 0.00 C ATOM 275 O CYS A 37 11.000 -0.910 6.800 1.00 0.00 O ATOM 276 CB CYS A 37 8.350 -0.160 5.550 1.00 0.00 C ATOM 277 SG CYS A 37 9.200 0.540 4.080 1.00 0.00 S ATOM 0 H CYS A 37 7.613 -1.263 7.625 1.00 0.00 H new ATOM 0 HA CYS A 37 8.577 -2.322 5.245 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.281 -0.222 5.346 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.475 0.522 6.391 1.00 0.00 H new ATOM 278 N ALA A 38 10.860 -2.250 4.950 1.00 0.00 N ATOM 279 CA ALA A 38 12.280 -2.220 4.460 1.00 0.00 C ATOM 280 C ALA A 38 13.200 -2.710 5.600 1.00 0.00 C ATOM 281 O ALA A 38 14.420 -2.750 5.410 1.00 0.00 O ATOM 282 CB ALA A 38 12.660 -0.910 3.960 1.00 0.00 C ATOM 0 H ALA A 38 10.284 -2.923 4.444 1.00 0.00 H new ATOM 0 HA ALA A 38 12.384 -2.890 3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.694 -0.937 3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.010 -0.635 3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.562 -0.174 4.758 1.00 0.00 H new ATOM 283 N GLY A 39 12.660 -3.090 6.760 1.00 0.00 N ATOM 284 CA GLY A 39 13.480 -3.170 7.970 1.00 0.00 C ATOM 285 C GLY A 39 13.700 -1.750 8.500 1.00 0.00 C ATOM 286 O GLY A 39 12.980 -1.300 9.380 1.00 0.00 O ATOM 0 H GLY A 39 11.680 -3.342 6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.986 -3.784 8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.436 -3.645 7.749 1.00 0.00 H new ATOM 287 N ARG A 40 14.520 -1.010 7.740 1.00 0.00 N ATOM 288 CA ARG A 40 14.810 0.410 8.000 1.00 0.00 C ATOM 289 C ARG A 40 13.940 1.200 6.980 1.00 0.00 C ATOM 290 O ARG A 40 14.200 1.110 5.790 1.00 0.00 O ATOM 291 CB ARG A 40 16.230 0.800 8.150 1.00 0.00 C ATOM 292 CG ARG A 40 16.760 2.200 7.790 1.00 0.00 C ATOM 293 CD ARG A 40 17.020 2.410 6.290 1.00 0.00 C ATOM 294 NE ARG A 40 17.410 3.810 6.010 1.00 0.00 N ATOM 295 CZ ARG A 40 16.640 4.910 6.100 1.00 0.00 C ATOM 296 NH1 ARG A 40 15.360 4.860 6.450 1.00 0.00 N ATOM 297 NH2 ARG A 40 17.160 6.090 5.800 1.00 0.00 N ATOM 0 H ARG A 40 15.004 -1.381 6.922 1.00 0.00 H new ATOM 0 HA ARG A 40 14.527 0.679 9.018 1.00 0.00 H new ATOM 0 HB2 ARG A 40 16.488 0.632 9.196 1.00 0.00 H new ATOM 0 HB3 ARG A 40 16.809 0.089 7.561 1.00 0.00 H new ATOM 0 HG2 ARG A 40 16.042 2.946 8.131 1.00 0.00 H new ATOM 0 HG3 ARG A 40 17.687 2.377 8.336 1.00 0.00 H new ATOM 0 HD2 ARG A 40 17.808 1.735 5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.124 2.158 5.723 1.00 0.00 H new ATOM 0 HE ARG A 40 18.375 3.958 5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.924 3.963 6.663 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.813 5.719 6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.134 6.158 5.505 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.587 6.931 5.864 1.00 0.00 H new ATOM 298 N ASN A 41 12.700 1.360 7.420 1.00 0.00 N ATOM 299 CA ASN A 41 11.640 2.110 6.730 1.00 0.00 C ATOM 300 C ASN A 41 12.090 3.170 5.690 1.00 0.00 C ATOM 301 O ASN A 41 12.320 4.320 6.040 1.00 0.00 O ATOM 302 CB ASN A 41 10.550 2.690 7.630 1.00 0.00 C ATOM 303 CG ASN A 41 9.390 3.400 6.920 1.00 0.00 C ATOM 304 OD1 ASN A 41 8.720 4.250 7.670 1.00 0.00 O flip ATOM 305 ND2 ASN A 41 9.000 3.110 5.800 1.00 0.00 N flip ATOM 0 H ASN A 41 12.384 0.958 8.302 1.00 0.00 H new ATOM 0 HA ASN A 41 11.201 1.294 6.157 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.138 1.881 8.234 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.014 3.397 8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.530 2.450 5.231 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.145 3.528 5.434 1.00 0.00 H new ATOM 306 N ASP A 42 12.350 2.690 4.470 1.00 0.00 N ATOM 307 CA ASP A 42 12.720 3.530 3.330 1.00 0.00 C ATOM 308 C ASP A 42 12.590 2.850 1.950 1.00 0.00 C ATOM 309 O ASP A 42 13.440 2.940 1.060 1.00 0.00 O ATOM 310 CB ASP A 42 14.060 4.240 3.410 1.00 0.00 C ATOM 311 CG ASP A 42 15.340 3.370 3.340 1.00 0.00 C ATOM 312 OD1 ASP A 42 15.210 2.130 3.450 1.00 0.00 O ATOM 313 OD2 ASP A 42 16.390 3.950 3.000 1.00 0.00 O ATOM 0 H ASP A 42 12.309 1.696 4.245 1.00 0.00 H new ATOM 0 HA ASP A 42 11.953 4.299 3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.104 4.967 2.599 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.087 4.802 4.344 1.00 0.00 H new ATOM 314 N CYS A 43 11.530 2.070 1.870 1.00 0.00 N ATOM 315 CA CYS A 43 11.240 1.260 0.670 1.00 0.00 C ATOM 316 C CYS A 43 10.680 2.000 -0.550 1.00 0.00 C ATOM 317 O CYS A 43 9.570 2.530 -0.580 1.00 0.00 O ATOM 318 CB CYS A 43 10.740 -0.100 0.920 1.00 0.00 C ATOM 319 SG CYS A 43 9.910 -1.020 -0.440 1.00 0.00 S ATOM 0 H CYS A 43 10.843 1.970 2.618 1.00 0.00 H new ATOM 0 HA CYS A 43 12.244 1.050 0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 43 11.584 -0.703 1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.039 -0.043 1.752 1.00 0.00 H new ATOM 320 N ILE A 44 11.450 1.660 -1.580 1.00 0.00 N ATOM 321 CA ILE A 44 11.390 1.960 -3.020 1.00 0.00 C ATOM 322 C ILE A 44 9.920 2.360 -3.410 1.00 0.00 C ATOM 323 O ILE A 44 9.590 3.520 -3.590 1.00 0.00 O ATOM 324 CB ILE A 44 12.070 1.080 -4.020 1.00 0.00 C ATOM 325 CG1 ILE A 44 13.500 0.940 -3.550 1.00 0.00 C ATOM 326 CG2 ILE A 44 12.070 1.790 -5.360 1.00 0.00 C ATOM 327 CD1 ILE A 44 13.670 -0.440 -2.920 1.00 0.00 C ATOM 0 H ILE A 44 12.263 1.072 -1.397 1.00 0.00 H new ATOM 0 HA ILE A 44 12.077 2.801 -3.116 1.00 0.00 H new ATOM 0 HB ILE A 44 11.577 0.113 -4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.187 1.061 -4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.739 1.719 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.562 1.163 -6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.043 1.982 -5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.605 2.736 -5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 44 14.697 -0.558 -2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.989 -0.540 -2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.445 -1.208 -3.660 1.00 0.00 H new ATOM 328 N ILE A 45 9.260 1.290 -3.870 1.00 0.00 N ATOM 329 CA ILE A 45 7.860 1.210 -4.300 1.00 0.00 C ATOM 330 C ILE A 45 7.370 2.450 -5.100 1.00 0.00 C ATOM 331 O ILE A 45 6.580 3.280 -4.660 1.00 0.00 O ATOM 332 CB ILE A 45 7.100 0.690 -3.060 1.00 0.00 C ATOM 333 CG1 ILE A 45 6.270 -0.550 -3.190 1.00 0.00 C ATOM 334 CG2 ILE A 45 6.350 1.840 -2.330 1.00 0.00 C ATOM 335 CD1 ILE A 45 5.970 -1.210 -1.830 1.00 0.00 C ATOM 0 H ILE A 45 9.728 0.388 -3.958 1.00 0.00 H new ATOM 0 HA ILE A 45 7.657 0.500 -5.101 1.00 0.00 H new ATOM 0 HB ILE A 45 7.912 0.320 -2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.331 -0.303 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.789 -1.264 -3.829 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.826 1.439 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.067 2.593 -2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.630 2.295 -3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.366 -2.104 -1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.906 -1.485 -1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.425 -0.509 -1.198 1.00 0.00 H new ATOM 336 N ASP A 46 7.770 2.470 -6.360 1.00 0.00 N ATOM 337 CA ASP A 46 7.430 3.550 -7.310 1.00 0.00 C ATOM 338 C ASP A 46 8.220 3.410 -8.620 1.00 0.00 C ATOM 339 O ASP A 46 9.310 2.850 -8.620 1.00 0.00 O ATOM 340 CB ASP A 46 7.190 4.970 -6.910 1.00 0.00 C ATOM 341 CG ASP A 46 8.330 5.700 -6.170 1.00 0.00 C ATOM 342 OD1 ASP A 46 9.500 5.360 -6.470 1.00 0.00 O ATOM 343 OD2 ASP A 46 8.020 6.640 -5.420 1.00 0.00 O ATOM 0 H ASP A 46 8.347 1.735 -6.770 1.00 0.00 H new ATOM 0 HA ASP A 46 6.370 3.317 -7.415 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.954 5.538 -7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.305 4.996 -6.275 1.00 0.00 H new ATOM 344 N LYS A 47 7.450 3.600 -9.680 1.00 0.00 N ATOM 345 CA LYS A 47 7.820 3.690 -11.120 1.00 0.00 C ATOM 346 C LYS A 47 8.210 2.360 -11.780 1.00 0.00 C ATOM 347 O LYS A 47 7.850 2.070 -12.910 1.00 0.00 O ATOM 348 CB LYS A 47 8.820 4.810 -11.360 1.00 0.00 C ATOM 349 CG LYS A 47 8.160 6.150 -11.040 1.00 0.00 C ATOM 350 CD LYS A 47 7.000 6.470 -11.980 1.00 0.00 C ATOM 351 CE LYS A 47 6.280 7.750 -11.570 1.00 0.00 C ATOM 352 NZ LYS A 47 5.660 7.600 -10.250 1.00 0.00 N ATOM 0 H LYS A 47 6.443 3.709 -9.562 1.00 0.00 H new ATOM 0 HA LYS A 47 6.902 3.953 -11.645 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.701 4.667 -10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.158 4.796 -12.396 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.797 6.136 -10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.905 6.943 -11.105 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.374 6.573 -12.998 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.294 5.640 -11.983 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.986 8.580 -11.553 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.517 7.996 -12.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.999 8.386 -10.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.142 6.699 -10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.398 7.608 -9.517 1.00 0.00 H new ATOM 353 N ILE A 48 8.640 1.490 -10.870 1.00 0.00 N ATOM 354 CA ILE A 48 9.050 0.090 -11.000 1.00 0.00 C ATOM 355 C ILE A 48 7.760 -0.760 -11.100 1.00 0.00 C ATOM 356 O ILE A 48 7.740 -1.890 -11.560 1.00 0.00 O ATOM 357 CB ILE A 48 9.850 -0.200 -9.790 1.00 0.00 C ATOM 358 CG1 ILE A 48 11.210 0.480 -9.960 1.00 0.00 C ATOM 359 CG2 ILE A 48 10.080 -1.680 -9.400 1.00 0.00 C ATOM 360 CD1 ILE A 48 12.450 0.230 -9.040 1.00 0.00 C ATOM 0 H ILE A 48 8.720 1.787 -9.898 1.00 0.00 H new ATOM 0 HA ILE A 48 9.650 -0.131 -11.883 1.00 0.00 H new ATOM 0 HB ILE A 48 9.247 0.184 -8.967 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.537 0.251 -10.974 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.018 1.552 -9.921 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.683 -1.728 -8.493 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.119 -2.163 -9.223 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.600 -2.193 -10.209 1.00 0.00 H new ATOM 0 HD11 ILE A 48 13.286 0.840 -9.382 1.00 0.00 H new ATOM 0 HD12 ILE A 48 12.201 0.498 -8.013 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.728 -0.823 -9.083 1.00 0.00 H new ATOM 361 N ARG A 49 6.840 -0.220 -10.310 1.00 0.00 N ATOM 362 CA ARG A 49 5.440 -0.650 -10.130 1.00 0.00 C ATOM 363 C ARG A 49 5.240 -2.020 -9.480 1.00 0.00 C ATOM 364 O ARG A 49 4.180 -2.620 -9.600 1.00 0.00 O ATOM 365 CB ARG A 49 4.720 -0.580 -11.490 1.00 0.00 C ATOM 366 CG ARG A 49 4.710 0.810 -12.140 1.00 0.00 C ATOM 367 CD ARG A 49 4.090 0.730 -13.530 1.00 0.00 C ATOM 368 NE ARG A 49 4.010 2.070 -14.120 1.00 0.00 N ATOM 369 CZ ARG A 49 2.960 2.610 -14.750 1.00 0.00 C ATOM 370 NH1 ARG A 49 1.860 1.910 -15.020 1.00 0.00 N ATOM 371 NH2 ARG A 49 3.040 3.850 -15.220 1.00 0.00 N ATOM 0 H ARG A 49 7.059 0.591 -9.731 1.00 0.00 H new ATOM 0 HA ARG A 49 5.005 0.044 -9.410 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.196 -1.283 -12.174 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.690 -0.912 -11.358 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.145 1.506 -11.520 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.727 1.196 -12.208 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.688 0.078 -14.167 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.094 0.290 -13.469 1.00 0.00 H new ATOM 0 HE ARG A 49 4.844 2.653 -14.042 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.799 0.930 -14.745 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.078 2.354 -15.502 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.899 4.386 -15.100 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.242 4.266 -15.701 1.00 0.00 H new ATOM 372 N ARG A 50 6.040 -2.220 -8.440 1.00 0.00 N ATOM 373 CA ARG A 50 6.150 -3.530 -7.770 1.00 0.00 C ATOM 374 C ARG A 50 6.100 -3.390 -6.250 1.00 0.00 C ATOM 375 O ARG A 50 6.700 -2.490 -5.660 1.00 0.00 O ATOM 376 CB ARG A 50 7.470 -4.180 -8.170 1.00 0.00 C ATOM 377 CG ARG A 50 7.410 -4.930 -9.500 1.00 0.00 C ATOM 378 CD ARG A 50 8.800 -5.110 -10.110 1.00 0.00 C ATOM 379 NE ARG A 50 9.770 -5.700 -9.160 1.00 0.00 N ATOM 380 CZ ARG A 50 11.100 -5.620 -9.230 1.00 0.00 C ATOM 381 NH1 ARG A 50 11.720 -4.850 -10.120 1.00 0.00 N ATOM 382 NH2 ARG A 50 11.840 -6.210 -8.300 1.00 0.00 N ATOM 0 H ARG A 50 6.629 -1.494 -8.033 1.00 0.00 H new ATOM 0 HA ARG A 50 5.306 -4.146 -8.080 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.239 -3.410 -8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.775 -4.873 -7.386 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.950 -5.906 -9.347 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.774 -4.384 -10.197 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.726 -5.749 -10.990 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.172 -4.143 -10.448 1.00 0.00 H new ATOM 0 HE ARG A 50 9.383 -6.220 -8.373 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.176 -4.294 -10.780 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.739 -4.815 -10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.391 -6.720 -7.539 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.857 -6.154 -8.346 1.00 0.00 H new ATOM 383 N LYS A 51 5.510 -4.420 -5.660 1.00 0.00 N ATOM 384 CA LYS A 51 5.360 -4.630 -4.200 1.00 0.00 C ATOM 385 C LYS A 51 6.700 -5.230 -3.690 1.00 0.00 C ATOM 386 O LYS A 51 6.720 -6.220 -2.960 1.00 0.00 O ATOM 387 CB LYS A 51 4.150 -5.430 -3.850 1.00 0.00 C ATOM 388 CG LYS A 51 2.860 -4.610 -3.950 1.00 0.00 C ATOM 389 CD LYS A 51 2.150 -4.650 -5.310 1.00 0.00 C ATOM 390 CE LYS A 51 0.920 -3.730 -5.270 1.00 0.00 C ATOM 391 NZ LYS A 51 0.100 -3.850 -6.480 1.00 0.00 N ATOM 0 H LYS A 51 5.097 -5.179 -6.202 1.00 0.00 H new ATOM 0 HA LYS A 51 5.175 -3.685 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.082 -6.291 -4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.254 -5.817 -2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.166 -4.964 -3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.092 -3.572 -3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.832 -4.330 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.847 -5.670 -5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.314 -3.973 -4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.245 -2.696 -5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.125 -2.901 -6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.625 -4.382 -7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.782 -4.352 -6.253 1.00 0.00 H new ATOM 392 N ASN A 52 7.760 -4.440 -3.850 1.00 0.00 N ATOM 393 CA ASN A 52 9.160 -4.790 -3.430 1.00 0.00 C ATOM 394 C ASN A 52 9.400 -4.610 -1.920 1.00 0.00 C ATOM 395 O ASN A 52 10.530 -4.420 -1.470 1.00 0.00 O ATOM 396 CB ASN A 52 10.070 -3.970 -4.360 1.00 0.00 C ATOM 397 CG ASN A 52 10.160 -4.590 -5.760 1.00 0.00 C ATOM 398 OD1 ASN A 52 9.510 -5.570 -6.100 1.00 0.00 O ATOM 399 ND2 ASN A 52 11.010 -4.040 -6.600 1.00 0.00 N ATOM 0 H ASN A 52 7.693 -3.518 -4.280 1.00 0.00 H new ATOM 0 HA ASN A 52 9.381 -5.851 -3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.688 -2.952 -4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.068 -3.904 -3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.128 -4.430 -7.535 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.551 -3.223 -6.316 1.00 0.00 H new ATOM 400 N CYS A 53 8.300 -4.720 -1.180 1.00 0.00 N ATOM 401 CA CYS A 53 8.080 -4.740 0.280 1.00 0.00 C ATOM 402 C CYS A 53 6.620 -4.550 0.650 1.00 0.00 C ATOM 403 O CYS A 53 6.140 -3.420 0.740 1.00 0.00 O ATOM 404 CB CYS A 53 9.000 -3.790 1.070 1.00 0.00 C ATOM 405 SG CYS A 53 8.550 -3.450 2.810 1.00 0.00 S ATOM 0 H CYS A 53 7.403 -4.811 -1.656 1.00 0.00 H new ATOM 0 HA CYS A 53 8.367 -5.745 0.589 1.00 0.00 H new ATOM 0 HB2 CYS A 53 10.008 -4.206 1.056 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.040 -2.839 0.539 1.00 0.00 H new ATOM 0 HG CYS A 53 8.952 -2.258 3.137 1.00 0.00 H new ATOM 406 N PRO A 54 5.920 -5.670 0.870 1.00 0.00 N ATOM 407 CA PRO A 54 4.510 -5.700 1.310 1.00 0.00 C ATOM 408 C PRO A 54 4.190 -4.730 2.450 1.00 0.00 C ATOM 409 O PRO A 54 3.340 -3.870 2.260 1.00 0.00 O ATOM 410 CB PRO A 54 4.240 -7.160 1.690 1.00 0.00 C ATOM 411 CG PRO A 54 5.640 -7.790 1.790 1.00 0.00 C ATOM 412 CD PRO A 54 6.420 -7.050 0.700 1.00 0.00 C ATOM 0 HA PRO A 54 3.855 -5.356 0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.702 -7.232 2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.631 -7.661 0.938 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.081 -7.642 2.776 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.614 -8.865 1.611 1.00 0.00 H new ATOM 0 HD2 PRO A 54 7.498 -7.118 0.848 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.210 -7.443 -0.295 1.00 0.00 H new ATOM 413 N ALA A 55 5.110 -4.570 3.400 1.00 0.00 N ATOM 414 CA ALA A 55 4.880 -3.690 4.560 1.00 0.00 C ATOM 415 C ALA A 55 4.800 -2.220 4.130 1.00 0.00 C ATOM 416 O ALA A 55 3.930 -1.470 4.570 1.00 0.00 O ATOM 417 CB ALA A 55 6.000 -3.850 5.520 1.00 0.00 C ATOM 0 H ALA A 55 6.019 -5.033 3.396 1.00 0.00 H new ATOM 0 HA ALA A 55 3.934 -3.970 5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.837 -3.202 6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.050 -4.887 5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.937 -3.579 5.034 1.00 0.00 H new ATOM 418 N CYS A 56 5.680 -1.880 3.190 1.00 0.00 N ATOM 419 CA CYS A 56 5.830 -0.560 2.590 1.00 0.00 C ATOM 420 C CYS A 56 4.550 -0.160 1.840 1.00 0.00 C ATOM 421 O CYS A 56 4.130 0.990 1.880 1.00 0.00 O ATOM 422 CB CYS A 56 7.040 -0.380 1.840 1.00 0.00 C ATOM 423 SG CYS A 56 7.310 1.080 0.760 1.00 0.00 S ATOM 0 H CYS A 56 6.342 -2.556 2.808 1.00 0.00 H new ATOM 0 HA CYS A 56 5.957 0.149 3.408 1.00 0.00 H new ATOM 0 HB2 CYS A 56 7.860 -0.395 2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 56 7.153 -1.262 1.209 1.00 0.00 H new ATOM 424 N ARG A 57 3.880 -1.190 1.320 1.00 0.00 N ATOM 425 CA ARG A 57 2.630 -0.980 0.610 1.00 0.00 C ATOM 426 C ARG A 57 1.540 -0.500 1.600 1.00 0.00 C ATOM 427 O ARG A 57 1.140 0.650 1.500 1.00 0.00 O ATOM 428 CB ARG A 57 2.270 -2.240 -0.120 1.00 0.00 C ATOM 429 CG ARG A 57 1.170 -2.160 -1.200 1.00 0.00 C ATOM 430 CD ARG A 57 1.530 -1.220 -2.360 1.00 0.00 C ATOM 431 NE ARG A 57 1.080 0.150 -2.040 1.00 0.00 N ATOM 432 CZ ARG A 57 1.820 1.250 -1.960 1.00 0.00 C ATOM 433 NH1 ARG A 57 3.110 1.270 -2.300 1.00 0.00 N ATOM 434 NH2 ARG A 57 1.260 2.370 -1.510 1.00 0.00 N ATOM 0 H ARG A 57 4.181 -2.163 1.379 1.00 0.00 H new ATOM 0 HA ARG A 57 2.727 -0.193 -0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.175 -2.623 -0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.959 -2.978 0.620 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.984 -3.159 -1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.242 -1.821 -0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.607 -1.230 -2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.058 -1.564 -3.281 1.00 0.00 H new ATOM 0 HE ARG A 57 0.083 0.265 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.562 0.420 -2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.644 2.136 -2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.278 2.374 -1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.813 3.225 -1.442 1.00 0.00 H new ATOM 435 N TYR A 58 1.510 -1.170 2.760 1.00 0.00 N ATOM 436 CA TYR A 58 0.600 -0.860 3.870 1.00 0.00 C ATOM 437 C TYR A 58 0.920 0.600 4.310 1.00 0.00 C ATOM 438 O TYR A 58 0.150 1.510 4.020 1.00 0.00 O ATOM 439 CB TYR A 58 0.770 -1.820 5.010 1.00 0.00 C ATOM 440 CG TYR A 58 -0.120 -1.660 6.260 1.00 0.00 C ATOM 441 CD1 TYR A 58 -0.270 -0.480 7.010 1.00 0.00 C ATOM 442 CD2 TYR A 58 -0.940 -2.780 6.480 1.00 0.00 C ATOM 443 CE1 TYR A 58 -1.280 -0.410 7.990 1.00 0.00 C ATOM 444 CE2 TYR A 58 -2.020 -2.690 7.360 1.00 0.00 C ATOM 445 CZ TYR A 58 -2.110 -1.540 8.190 1.00 0.00 C ATOM 446 OH TYR A 58 -2.910 -1.580 9.290 1.00 0.00 O ATOM 0 H TYR A 58 2.129 -1.957 2.956 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.439 -0.955 3.553 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.612 -2.826 4.620 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.809 -1.764 5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.382 0.363 6.837 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.735 -3.709 5.969 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.418 0.486 8.576 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.765 -3.471 7.409 1.00 0.00 H new ATOM 0 HH TYR A 58 -3.422 -2.416 9.292 1.00 0.00 H new ATOM 447 N ARG A 59 2.200 0.820 4.620 1.00 0.00 N ATOM 448 CA ARG A 59 2.700 2.100 5.150 1.00 0.00 C ATOM 449 C ARG A 59 2.510 3.310 4.240 1.00 0.00 C ATOM 450 O ARG A 59 1.710 4.180 4.550 1.00 0.00 O ATOM 451 CB ARG A 59 4.130 1.930 5.670 1.00 0.00 C ATOM 452 CG ARG A 59 4.130 1.550 7.140 1.00 0.00 C ATOM 453 CD ARG A 59 5.590 1.310 7.430 1.00 0.00 C ATOM 454 NE ARG A 59 5.750 0.270 8.470 1.00 0.00 N ATOM 455 CZ ARG A 59 6.530 0.360 9.560 1.00 0.00 C ATOM 456 NH1 ARG A 59 7.450 1.300 9.700 1.00 0.00 N ATOM 457 NH2 ARG A 59 6.470 -0.600 10.470 1.00 0.00 N ATOM 0 H ARG A 59 2.927 0.113 4.511 1.00 0.00 H new ATOM 0 HA ARG A 59 2.058 2.356 5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.643 1.161 5.092 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.685 2.858 5.530 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.721 2.346 7.762 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.530 0.659 7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.102 1.002 6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.058 2.237 7.760 1.00 0.00 H new ATOM 0 HE ARG A 59 5.220 -0.593 8.348 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.588 1.992 8.964 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.021 1.333 10.544 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.839 -1.390 10.337 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.055 -0.549 11.304 1.00 0.00 H new ATOM 458 N LYS A 60 2.890 3.160 2.980 1.00 0.00 N ATOM 459 CA LYS A 60 2.730 4.270 2.060 1.00 0.00 C ATOM 460 C LYS A 60 1.390 4.420 1.380 1.00 0.00 C ATOM 461 O LYS A 60 1.040 5.530 1.000 1.00 0.00 O ATOM 462 CB LYS A 60 3.900 4.230 1.040 1.00 0.00 C ATOM 463 CG LYS A 60 5.260 4.510 1.690 1.00 0.00 C ATOM 464 CD LYS A 60 6.340 4.870 0.670 1.00 0.00 C ATOM 465 CE LYS A 60 7.680 5.160 1.340 1.00 0.00 C ATOM 466 NZ LYS A 60 8.370 3.900 1.670 1.00 0.00 N ATOM 0 H LYS A 60 3.297 2.313 2.584 1.00 0.00 H new ATOM 0 HA LYS A 60 2.761 5.169 2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.925 3.252 0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.718 4.965 0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.155 5.326 2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.576 3.632 2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.458 4.050 -0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.023 5.742 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.303 5.761 0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.522 5.744 2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.679 3.923 2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.720 3.101 1.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.199 3.786 1.052 1.00 0.00 H new ATOM 467 N CYS A 61 0.530 3.420 1.580 1.00 0.00 N ATOM 468 CA CYS A 61 -0.900 3.570 1.260 1.00 0.00 C ATOM 469 C CYS A 61 -1.520 4.540 2.260 1.00 0.00 C ATOM 470 O CYS A 61 -1.950 5.590 1.800 1.00 0.00 O ATOM 471 CB CYS A 61 -1.620 2.230 1.320 1.00 0.00 C ATOM 472 SG CYS A 61 -1.290 1.090 -0.080 1.00 0.00 S ATOM 0 H CYS A 61 0.788 2.508 1.956 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.001 3.955 0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -1.341 1.729 2.247 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.693 2.416 1.369 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.115 0.553 0.065 1.00 0.00 H new ATOM 473 N LEU A 62 -1.010 4.470 3.480 1.00 0.00 N ATOM 474 CA LEU A 62 -1.490 5.310 4.620 1.00 0.00 C ATOM 475 C LEU A 62 -1.090 6.790 4.350 1.00 0.00 C ATOM 476 O LEU A 62 -1.840 7.720 4.630 1.00 0.00 O ATOM 477 CB LEU A 62 -1.020 4.940 5.990 1.00 0.00 C ATOM 478 CG LEU A 62 -1.070 3.450 6.190 1.00 0.00 C ATOM 479 CD1 LEU A 62 -0.320 3.170 7.460 1.00 0.00 C ATOM 480 CD2 LEU A 62 -2.510 2.950 6.240 1.00 0.00 C ATOM 0 H LEU A 62 -0.251 3.836 3.731 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.566 5.139 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.001 5.297 6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.642 5.432 6.738 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.611 2.918 5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.324 2.098 7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.708 3.517 7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.799 3.692 8.288 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.515 1.870 6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.033 3.430 7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.012 3.192 5.303 1.00 0.00 H new ATOM 481 N GLN A 63 0.120 6.890 3.810 1.00 0.00 N ATOM 482 CA GLN A 63 0.990 8.030 3.510 1.00 0.00 C ATOM 483 C GLN A 63 0.430 8.790 2.300 1.00 0.00 C ATOM 484 O GLN A 63 0.530 10.010 2.190 1.00 0.00 O ATOM 485 CB GLN A 63 2.380 7.550 3.630 1.00 0.00 C ATOM 486 CG GLN A 63 2.730 7.100 5.020 1.00 0.00 C ATOM 487 CD GLN A 63 4.010 6.260 5.190 1.00 0.00 C ATOM 488 OE1 GLN A 63 4.080 5.320 5.970 1.00 0.00 O ATOM 489 NE2 GLN A 63 5.070 6.580 4.480 1.00 0.00 N ATOM 0 H GLN A 63 0.590 6.031 3.526 1.00 0.00 H new ATOM 0 HA GLN A 63 1.013 8.870 4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.533 6.723 2.937 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.060 8.347 3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.822 7.986 5.648 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.892 6.520 5.408 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.028 7.361 3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.934 6.047 4.584 1.00 0.00 H new ATOM 490 N ALA A 64 -0.060 7.990 1.370 1.00 0.00 N ATOM 491 CA ALA A 64 -0.760 8.430 0.150 1.00 0.00 C ATOM 492 C ALA A 64 -2.130 9.030 0.520 1.00 0.00 C ATOM 493 O ALA A 64 -2.750 9.770 -0.240 1.00 0.00 O ATOM 494 CB ALA A 64 -0.980 7.230 -0.760 1.00 0.00 C ATOM 0 H ALA A 64 0.015 6.975 1.435 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.157 9.183 -0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.498 7.549 -1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.017 6.795 -1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.583 6.485 -0.241 1.00 0.00 H new ATOM 495 N GLY A 65 -2.680 8.240 1.440 1.00 0.00 N ATOM 496 CA GLY A 65 -3.850 8.360 2.270 1.00 0.00 C ATOM 497 C GLY A 65 -5.020 7.480 1.810 1.00 0.00 C ATOM 498 O GLY A 65 -6.200 7.720 2.060 1.00 0.00 O ATOM 0 H GLY A 65 -2.222 7.351 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.588 8.095 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.172 9.401 2.282 1.00 0.00 H new ATOM 499 N MET A 66 -4.510 6.280 1.590 1.00 0.00 N ATOM 500 CA MET A 66 -5.270 5.080 1.290 1.00 0.00 C ATOM 501 C MET A 66 -5.370 4.180 2.530 1.00 0.00 C ATOM 502 O MET A 66 -4.410 3.560 2.980 1.00 0.00 O ATOM 503 CB MET A 66 -4.850 4.230 0.060 1.00 0.00 C ATOM 504 CG MET A 66 -5.760 3.020 -0.240 1.00 0.00 C ATOM 505 SD MET A 66 -5.290 1.530 0.730 1.00 0.00 S ATOM 506 CE MET A 66 -6.840 0.850 1.290 1.00 0.00 C ATOM 0 H MET A 66 -3.505 6.109 1.617 1.00 0.00 H new ATOM 0 HA MET A 66 -6.237 5.487 0.995 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.828 4.875 -0.818 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.833 3.870 0.216 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.794 3.283 -0.018 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.712 2.788 -1.304 1.00 0.00 H new ATOM 0 HE1 MET A 66 -6.690 -0.181 1.610 1.00 0.00 H new ATOM 0 HE2 MET A 66 -7.215 1.439 2.127 1.00 0.00 H new ATOM 0 HE3 MET A 66 -7.564 0.875 0.475 1.00 0.00 H new ATOM 507 N ASN A 67 -6.550 4.340 3.120 1.00 0.00 N ATOM 508 CA ASN A 67 -6.950 3.660 4.340 1.00 0.00 C ATOM 509 C ASN A 67 -8.430 3.310 4.340 1.00 0.00 C ATOM 510 O ASN A 67 -9.300 4.100 3.970 1.00 0.00 O ATOM 511 CB ASN A 67 -6.460 4.500 5.530 1.00 0.00 C ATOM 512 CG ASN A 67 -6.740 3.960 6.940 1.00 0.00 C ATOM 513 OD1 ASN A 67 -7.510 3.030 7.180 1.00 0.00 O ATOM 514 ND2 ASN A 67 -6.280 4.670 7.940 1.00 0.00 N ATOM 0 H ASN A 67 -7.270 4.962 2.752 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.477 2.681 4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.383 4.632 5.428 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.911 5.489 5.452 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.561 4.448 8.895 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.641 5.445 7.764 1.00 0.00 H new ATOM 515 N LEU A 68 -8.640 2.060 4.730 1.00 0.00 N ATOM 516 CA LEU A 68 -9.860 1.320 4.710 1.00 0.00 C ATOM 517 C LEU A 68 -11.100 2.030 5.370 1.00 0.00 C ATOM 518 O LEU A 68 -12.230 1.920 4.920 1.00 0.00 O ATOM 519 CB LEU A 68 -9.930 -0.160 4.630 1.00 0.00 C ATOM 520 CG LEU A 68 -11.030 -1.070 5.160 1.00 0.00 C ATOM 521 CD1 LEU A 68 -11.080 -1.790 3.810 1.00 0.00 C ATOM 522 CD2 LEU A 68 -10.690 -1.990 6.320 1.00 0.00 C ATOM 0 H LEU A 68 -7.874 1.499 5.102 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.917 1.399 3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.854 -0.393 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.013 -0.515 5.101 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.910 -0.609 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.834 -2.576 3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.335 -1.077 3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.106 -2.231 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -11.569 -2.577 6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.882 -2.660 6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -10.376 -1.394 7.177 1.00 0.00 H new ATOM 523 N GLU A 69 -10.780 2.920 6.300 1.00 0.00 N ATOM 524 CA GLU A 69 -11.800 3.770 6.970 1.00 0.00 C ATOM 525 C GLU A 69 -12.130 5.030 6.190 1.00 0.00 C ATOM 526 O GLU A 69 -11.940 6.150 6.650 1.00 0.00 O ATOM 527 CB GLU A 69 -11.420 3.940 8.460 1.00 0.00 C ATOM 528 CG GLU A 69 -9.960 4.360 8.800 1.00 0.00 C ATOM 529 CD GLU A 69 -9.450 5.610 8.100 1.00 0.00 C ATOM 530 OE1 GLU A 69 -9.200 5.530 6.880 1.00 0.00 O ATOM 531 OE2 GLU A 69 -9.230 6.590 8.840 1.00 0.00 O ATOM 0 H GLU A 69 -9.825 3.085 6.619 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.769 3.270 6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.090 4.683 8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.622 2.996 8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.888 4.515 9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.297 3.531 8.552 1.00 0.00 H new ATOM 532 N ALA A 70 -12.470 4.760 4.940 1.00 0.00 N ATOM 533 CA ALA A 70 -12.860 5.700 3.870 1.00 0.00 C ATOM 534 C ALA A 70 -11.780 6.640 3.310 1.00 0.00 C ATOM 535 O ALA A 70 -11.900 7.030 2.150 1.00 0.00 O ATOM 536 CB ALA A 70 -14.120 6.500 4.220 1.00 0.00 C ATOM 0 H ALA A 70 -12.485 3.796 4.606 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.061 5.009 3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.362 7.175 3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.952 5.815 4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.943 7.079 5.126 1.00 0.00 H new ATOM 537 N ARG A 71 -10.770 6.980 4.110 1.00 0.00 N ATOM 538 CA ARG A 71 -9.670 7.860 3.710 1.00 0.00 C ATOM 539 C ARG A 71 -9.050 7.440 2.370 1.00 0.00 C ATOM 540 O ARG A 71 -9.060 8.290 1.450 1.00 0.00 O ATOM 541 CB ARG A 71 -8.570 7.890 4.760 1.00 0.00 C ATOM 542 CG ARG A 71 -8.950 8.840 5.910 1.00 0.00 C ATOM 543 CD ARG A 71 -7.790 9.370 6.780 1.00 0.00 C ATOM 544 NE ARG A 71 -7.190 8.340 7.640 1.00 0.00 N ATOM 545 CZ ARG A 71 -5.930 7.900 7.620 1.00 0.00 C ATOM 546 NH1 ARG A 71 -5.220 7.900 6.500 1.00 0.00 N ATOM 547 NH2 ARG A 71 -5.460 7.210 8.650 1.00 0.00 N ATOM 548 OXT ARG A 71 -8.640 6.270 2.270 1.00 0.00 O ATOM 0 H ARG A 71 -10.691 6.647 5.071 1.00 0.00 H new ATOM 0 HA ARG A 71 -10.107 8.853 3.605 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.403 6.886 5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.634 8.215 4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.476 9.695 5.486 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.655 8.323 6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.019 9.786 6.131 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.156 10.186 7.403 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.807 7.913 8.331 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.635 8.240 5.633 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.259 7.560 6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.060 7.018 9.452 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.498 6.871 8.640 1.00 0.00 H new TER 549 ARG A 71 HETATM 550 ZN ZN A 72 -0.165 0.153 -5.390 1.00 0.00 ZN HETATM 551 ZN ZN A 73 8.743 -0.713 1.803 1.00 0.00 ZN