USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=24 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 37 CYS SG : rot 18:sc= -0.634 USER MOD Set 1.2: A 43 CYS SG : rot 180:sc= -0.913 USER MOD Set 1.3: A 53 CYS SG : rot -45:sc= -2.56! USER MOD Set 2.1: A 1 CYS N :NH3+ -137:sc= -0.0791 (180deg=-4.91!) USER MOD Set 2.2: A 1 CYS SG : rot 70:sc= 0.253! USER MOD Set 2.3: A 4 CYS SG : rot -38:sc= 1.09 USER MOD Set 2.4: A 5 SER OG : rot 152:sc= -1.63! USER MOD Set 2.5: A 18 CYS SG : rot 60:sc= 0.0509! USER MOD Set 2.6: A 20 SER OG : rot -160:sc= 0.681 USER MOD Set 2.7: A 21 CYS SG : rot 172:sc= 0.231! USER MOD Set 2.8: A 51 LYS NZ :NH3+ -104:sc= -0.512! (180deg=-1.94) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -122:sc= -0.829 USER MOD Single : A 22 LYS NZ :NH3+ -174:sc= -2.79 (180deg=-2.9!) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 0.837 (180deg=0.836) USER MOD Single : A 32 GLN : amide:sc= -0.874 X(o=-0.87,f=-0.6) USER MOD Single : A 33 HIS : no HD1:sc=-0.00255 X(o=-0.0025,f=-0.0051) USER MOD Single : A 34 ASN : amide:sc= -0.0507 K(o=-0.051,f=-1.2) USER MOD Single : A 35 TYR OH : rot 178:sc= 0.548 USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= -1.76 (180deg=-4.52!) USER MOD Single : A 52 ASN : amide:sc= 0.0913 X(o=0.091,f=0) USER MOD Single : A 56 CYS SG : rot 147:sc= -5.45! USER MOD Single : A 58 TYR OH : rot 30:sc= -0.201 USER MOD Single : A 60 LYS NZ :NH3+ 173:sc= -1.22 (180deg=-1.61) USER MOD Single : A 61 CYS SG : rot 52:sc= -0.891 USER MOD Single : A 63 GLN : amide:sc= -3.88! C(o=-3.9!,f=-7.3!) USER MOD Single : A 66 MET CE :methyl -134:sc= -4.54! (180deg=-6.34!) USER MOD Single : A 67 ASN : amide:sc= -0.0172 X(o=-0.017,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -2.340 2.780 -8.800 1.00 0.00 N ATOM 2 CA CYS A 1 -1.740 3.040 -7.470 1.00 0.00 C ATOM 3 C CYS A 1 -1.170 4.450 -7.630 1.00 0.00 C ATOM 4 O CYS A 1 0.000 4.630 -7.970 1.00 0.00 O ATOM 5 CB CYS A 1 -0.920 2.060 -6.750 1.00 0.00 C ATOM 6 SG CYS A 1 -0.280 2.500 -5.080 1.00 0.00 S ATOM 0 H1 CYS A 1 -3.269 2.328 -8.679 1.00 0.00 H new ATOM 0 H2 CYS A 1 -2.456 3.679 -9.310 1.00 0.00 H new ATOM 0 H3 CYS A 1 -1.717 2.150 -9.345 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.518 2.924 -6.715 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.508 1.148 -6.649 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -0.063 1.819 -7.380 1.00 0.00 H new ATOM 0 HG CYS A 1 -1.266 2.538 -4.234 1.00 0.00 H new ATOM 7 N LEU A 2 -1.950 5.240 -6.930 1.00 0.00 N ATOM 8 CA LEU A 2 -1.790 6.680 -6.600 1.00 0.00 C ATOM 9 C LEU A 2 -0.340 6.970 -6.210 1.00 0.00 C ATOM 10 O LEU A 2 0.280 7.920 -6.690 1.00 0.00 O ATOM 11 CB LEU A 2 -2.840 6.960 -5.540 1.00 0.00 C ATOM 12 CG LEU A 2 -3.620 7.910 -6.430 1.00 0.00 C ATOM 13 CD1 LEU A 2 -5.040 8.060 -5.950 1.00 0.00 C ATOM 14 CD2 LEU A 2 -2.990 9.230 -6.650 1.00 0.00 C ATOM 0 H LEU A 2 -2.811 4.873 -6.524 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.960 7.360 -7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.403 6.080 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.445 7.422 -4.635 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.616 7.435 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.575 8.746 -6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.533 7.088 -5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.041 8.455 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.626 9.833 -7.298 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.863 9.737 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.016 9.095 -7.121 1.00 0.00 H new ATOM 15 N VAL A 3 0.220 5.940 -5.590 1.00 0.00 N ATOM 16 CA VAL A 3 1.550 5.920 -4.960 1.00 0.00 C ATOM 17 C VAL A 3 2.640 5.450 -5.970 1.00 0.00 C ATOM 18 O VAL A 3 3.570 6.160 -6.360 1.00 0.00 O ATOM 19 CB VAL A 3 1.660 5.180 -3.700 1.00 0.00 C ATOM 20 CG1 VAL A 3 2.900 4.620 -3.050 1.00 0.00 C ATOM 21 CG2 VAL A 3 0.830 5.870 -2.630 1.00 0.00 C ATOM 0 H VAL A 3 -0.260 5.044 -5.504 1.00 0.00 H new ATOM 0 HA VAL A 3 1.719 6.959 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 3 1.337 4.237 -4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.630 4.125 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.369 3.900 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.599 5.430 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.913 5.319 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.195 6.887 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.214 5.900 -2.942 1.00 0.00 H new ATOM 22 N CYS A 4 2.550 4.140 -6.160 1.00 0.00 N ATOM 23 CA CYS A 4 3.600 3.290 -6.760 1.00 0.00 C ATOM 24 C CYS A 4 3.340 3.060 -8.260 1.00 0.00 C ATOM 25 O CYS A 4 4.240 3.230 -9.080 1.00 0.00 O ATOM 26 CB CYS A 4 4.110 2.120 -6.010 1.00 0.00 C ATOM 27 SG CYS A 4 2.940 0.730 -5.730 1.00 0.00 S ATOM 0 H CYS A 4 1.719 3.610 -5.895 1.00 0.00 H new ATOM 0 HA CYS A 4 4.496 3.901 -6.657 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.978 1.730 -6.541 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.461 2.468 -5.038 1.00 0.00 H new ATOM 0 HG CYS A 4 1.754 1.203 -5.485 1.00 0.00 H new ATOM 28 N SER A 5 2.070 2.950 -8.600 1.00 0.00 N ATOM 29 CA SER A 5 1.660 2.480 -9.940 1.00 0.00 C ATOM 30 C SER A 5 0.530 3.080 -10.770 1.00 0.00 C ATOM 31 O SER A 5 -0.030 2.430 -11.650 1.00 0.00 O ATOM 32 CB SER A 5 1.600 0.940 -9.900 1.00 0.00 C ATOM 33 OG SER A 5 0.660 0.530 -8.900 1.00 0.00 O ATOM 0 H SER A 5 1.294 3.176 -7.978 1.00 0.00 H new ATOM 0 HA SER A 5 2.446 2.930 -10.547 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.305 0.550 -10.874 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.586 0.532 -9.678 1.00 0.00 H new ATOM 0 HG SER A 5 0.283 -0.342 -9.143 1.00 0.00 H new ATOM 34 N ASP A 6 0.490 4.410 -10.720 1.00 0.00 N ATOM 35 CA ASP A 6 -0.430 5.300 -11.490 1.00 0.00 C ATOM 36 C ASP A 6 -1.860 4.750 -11.520 1.00 0.00 C ATOM 37 O ASP A 6 -2.630 5.000 -10.590 1.00 0.00 O ATOM 38 CB ASP A 6 0.360 5.510 -12.770 1.00 0.00 C ATOM 39 CG ASP A 6 -0.320 6.460 -13.760 1.00 0.00 C ATOM 40 OD1 ASP A 6 -0.150 7.690 -13.600 1.00 0.00 O ATOM 41 OD2 ASP A 6 -1.030 5.910 -14.630 1.00 0.00 O ATOM 0 H ASP A 6 1.121 4.939 -10.118 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.673 6.278 -11.074 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.345 5.904 -12.519 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.516 4.546 -13.253 1.00 0.00 H new ATOM 42 N GLU A 7 -2.190 3.990 -12.560 1.00 0.00 N ATOM 43 CA GLU A 7 -3.510 3.390 -12.790 1.00 0.00 C ATOM 44 C GLU A 7 -4.160 2.260 -12.030 1.00 0.00 C ATOM 45 O GLU A 7 -3.640 1.170 -11.830 1.00 0.00 O ATOM 46 CB GLU A 7 -3.730 3.400 -14.310 1.00 0.00 C ATOM 47 CG GLU A 7 -4.640 4.550 -14.750 1.00 0.00 C ATOM 48 CD GLU A 7 -3.980 5.930 -14.760 1.00 0.00 C ATOM 49 OE1 GLU A 7 -3.840 6.510 -13.660 1.00 0.00 O ATOM 50 OE2 GLU A 7 -3.640 6.380 -15.870 1.00 0.00 O ATOM 0 H GLU A 7 -1.522 3.763 -13.297 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.131 4.027 -12.161 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.768 3.485 -14.815 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.169 2.451 -14.619 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.013 4.335 -15.751 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.505 4.583 -14.088 1.00 0.00 H new ATOM 51 N ALA A 8 -4.650 3.040 -11.080 1.00 0.00 N ATOM 52 CA ALA A 8 -5.540 2.740 -9.960 1.00 0.00 C ATOM 53 C ALA A 8 -6.980 2.430 -10.450 1.00 0.00 C ATOM 54 O ALA A 8 -7.390 2.860 -11.520 1.00 0.00 O ATOM 55 CB ALA A 8 -5.440 4.030 -9.210 1.00 0.00 C ATOM 0 H ALA A 8 -4.402 4.029 -11.073 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.284 1.859 -9.371 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.062 3.980 -8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.403 4.204 -8.922 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.782 4.847 -9.845 1.00 0.00 H new ATOM 56 N SER A 9 -7.750 1.850 -9.530 1.00 0.00 N ATOM 57 CA SER A 9 -9.150 1.450 -9.760 1.00 0.00 C ATOM 58 C SER A 9 -10.110 2.190 -8.820 1.00 0.00 C ATOM 59 O SER A 9 -9.860 2.310 -7.620 1.00 0.00 O ATOM 60 CB SER A 9 -9.320 -0.050 -9.510 1.00 0.00 C ATOM 61 OG SER A 9 -8.410 -0.790 -10.340 1.00 0.00 O ATOM 0 H SER A 9 -7.420 1.639 -8.588 1.00 0.00 H new ATOM 0 HA SER A 9 -9.386 1.701 -10.794 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.134 -0.276 -8.460 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.346 -0.349 -9.724 1.00 0.00 H new ATOM 0 HG SER A 9 -8.522 -1.749 -10.174 1.00 0.00 H new ATOM 62 N GLY A 10 -11.260 2.550 -9.380 1.00 0.00 N ATOM 63 CA GLY A 10 -12.330 3.270 -8.660 1.00 0.00 C ATOM 64 C GLY A 10 -13.240 2.340 -7.850 1.00 0.00 C ATOM 65 O GLY A 10 -14.460 2.360 -8.010 1.00 0.00 O ATOM 0 H GLY A 10 -11.488 2.353 -10.355 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.880 4.002 -7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.934 3.824 -9.378 1.00 0.00 H new ATOM 66 N CYS A 11 -12.620 1.580 -6.960 1.00 0.00 N ATOM 67 CA CYS A 11 -13.320 0.620 -6.090 1.00 0.00 C ATOM 68 C CYS A 11 -12.980 0.900 -4.630 1.00 0.00 C ATOM 69 O CYS A 11 -11.870 0.610 -4.190 1.00 0.00 O ATOM 70 CB CYS A 11 -12.910 -0.820 -6.420 1.00 0.00 C ATOM 71 SG CYS A 11 -13.130 -1.270 -8.180 1.00 0.00 S ATOM 0 H CYS A 11 -11.611 1.605 -6.813 1.00 0.00 H new ATOM 0 HA CYS A 11 -14.391 0.735 -6.258 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -11.864 -0.961 -6.147 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -13.495 -1.504 -5.805 1.00 0.00 H new ATOM 0 HG CYS A 11 -12.756 -2.502 -8.363 1.00 0.00 H new ATOM 72 N HIS A 12 -13.990 1.380 -3.910 1.00 0.00 N ATOM 73 CA HIS A 12 -13.920 1.800 -2.470 1.00 0.00 C ATOM 74 C HIS A 12 -12.510 2.130 -1.980 1.00 0.00 C ATOM 75 O HIS A 12 -11.790 2.840 -2.670 1.00 0.00 O ATOM 76 CB HIS A 12 -14.600 0.660 -1.690 1.00 0.00 C ATOM 77 CG HIS A 12 -15.890 0.110 -2.300 1.00 0.00 C ATOM 78 ND1 HIS A 12 -16.080 -1.130 -2.740 1.00 0.00 N ATOM 79 CD2 HIS A 12 -16.970 0.820 -2.560 1.00 0.00 C ATOM 80 CE1 HIS A 12 -17.280 -1.180 -3.290 1.00 0.00 C ATOM 81 NE2 HIS A 12 -17.840 0.020 -3.180 1.00 0.00 N ATOM 0 H HIS A 12 -14.922 1.501 -4.306 1.00 0.00 H new ATOM 0 HA HIS A 12 -14.432 2.749 -2.314 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.889 -0.160 -1.591 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.820 1.015 -0.683 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -17.123 1.861 -2.316 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -17.729 -2.048 -3.750 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -18.769 0.283 -3.510 1.00 0.00 H new ATOM 82 N TYR A 13 -12.240 1.870 -0.700 1.00 0.00 N ATOM 83 CA TYR A 13 -10.880 2.020 -0.150 1.00 0.00 C ATOM 84 C TYR A 13 -10.680 3.540 0.170 1.00 0.00 C ATOM 85 O TYR A 13 -9.660 3.890 0.760 1.00 0.00 O ATOM 86 CB TYR A 13 -9.750 1.140 -0.620 1.00 0.00 C ATOM 87 CG TYR A 13 -9.990 -0.310 -0.420 1.00 0.00 C ATOM 88 CD1 TYR A 13 -10.870 -0.630 -1.370 1.00 0.00 C ATOM 89 CD2 TYR A 13 -9.410 -1.210 0.450 1.00 0.00 C ATOM 90 CE1 TYR A 13 -11.390 -1.950 -1.510 1.00 0.00 C ATOM 91 CE2 TYR A 13 -9.900 -2.550 0.400 1.00 0.00 C ATOM 92 CZ TYR A 13 -10.880 -2.880 -0.570 1.00 0.00 C ATOM 93 OH TYR A 13 -11.380 -4.130 -0.580 1.00 0.00 O ATOM 0 H TYR A 13 -12.936 1.556 -0.024 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.793 1.466 0.784 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.575 1.326 -1.680 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -8.839 1.423 -0.092 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -11.200 0.136 -2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -8.627 -0.916 1.133 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -12.111 -2.218 -2.268 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -9.532 -3.297 1.087 1.00 0.00 H new ATOM 0 HH TYR A 13 -10.941 -4.664 0.115 1.00 0.00 H new ATOM 94 N GLY A 14 -11.680 4.380 -0.150 1.00 0.00 N ATOM 95 CA GLY A 14 -11.650 5.850 -0.060 1.00 0.00 C ATOM 96 C GLY A 14 -10.690 6.490 -1.060 1.00 0.00 C ATOM 97 O GLY A 14 -11.030 7.420 -1.780 1.00 0.00 O ATOM 0 H GLY A 14 -12.575 4.035 -0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.654 6.239 -0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.361 6.141 0.950 1.00 0.00 H new ATOM 98 N VAL A 15 -9.560 5.800 -1.200 1.00 0.00 N ATOM 99 CA VAL A 15 -8.390 6.080 -2.060 1.00 0.00 C ATOM 100 C VAL A 15 -8.290 4.980 -3.130 1.00 0.00 C ATOM 101 O VAL A 15 -8.210 3.790 -2.850 1.00 0.00 O ATOM 102 CB VAL A 15 -7.430 7.140 -1.600 1.00 0.00 C ATOM 103 CG1 VAL A 15 -6.070 6.990 -2.210 1.00 0.00 C ATOM 104 CG2 VAL A 15 -7.840 8.560 -1.460 1.00 0.00 C ATOM 0 H VAL A 15 -9.417 4.944 -0.665 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.062 6.828 -2.782 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.417 6.882 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.417 7.782 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.654 6.021 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.148 7.058 -3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.992 9.151 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.178 8.938 -2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.652 8.635 -0.737 1.00 0.00 H new ATOM 105 N LEU A 16 -8.020 5.500 -4.310 1.00 0.00 N ATOM 106 CA LEU A 16 -7.860 4.680 -5.520 1.00 0.00 C ATOM 107 C LEU A 16 -6.440 4.300 -5.910 1.00 0.00 C ATOM 108 O LEU A 16 -5.530 5.090 -6.160 1.00 0.00 O ATOM 109 CB LEU A 16 -8.730 5.200 -6.670 1.00 0.00 C ATOM 110 CG LEU A 16 -8.400 6.660 -6.970 1.00 0.00 C ATOM 111 CD1 LEU A 16 -8.200 6.800 -8.480 1.00 0.00 C ATOM 112 CD2 LEU A 16 -9.430 7.620 -6.370 1.00 0.00 C ATOM 0 H LEU A 16 -7.903 6.501 -4.470 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.249 3.701 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.567 4.593 -7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.784 5.105 -6.409 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.470 6.951 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.963 7.836 -8.721 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.381 6.156 -8.800 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.114 6.508 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.153 8.647 -6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.414 7.403 -6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.457 7.495 -5.288 1.00 0.00 H new ATOM 113 N THR A 17 -6.270 3.010 -5.740 1.00 0.00 N ATOM 114 CA THR A 17 -5.000 2.280 -5.970 1.00 0.00 C ATOM 115 C THR A 17 -5.280 1.090 -6.890 1.00 0.00 C ATOM 116 O THR A 17 -6.390 0.810 -7.350 1.00 0.00 O ATOM 117 CB THR A 17 -4.290 1.980 -4.710 1.00 0.00 C ATOM 118 OG1 THR A 17 -4.830 0.860 -3.970 1.00 0.00 O ATOM 119 CG2 THR A 17 -4.030 3.060 -3.650 1.00 0.00 C ATOM 0 H THR A 17 -7.025 2.399 -5.427 1.00 0.00 H new ATOM 0 HA THR A 17 -4.280 2.909 -6.494 1.00 0.00 H new ATOM 0 HB THR A 17 -3.333 1.795 -5.198 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.089 1.155 -3.072 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.495 2.622 -2.808 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.430 3.859 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.980 3.467 -3.304 1.00 0.00 H new ATOM 120 N CYS A 18 -4.140 0.580 -7.320 1.00 0.00 N ATOM 121 CA CYS A 18 -3.910 -0.490 -8.290 1.00 0.00 C ATOM 122 C CYS A 18 -4.540 -1.860 -7.860 1.00 0.00 C ATOM 123 O CYS A 18 -4.030 -2.920 -8.230 1.00 0.00 O ATOM 124 CB CYS A 18 -2.500 -0.720 -8.700 1.00 0.00 C ATOM 125 SG CYS A 18 -1.330 -1.260 -7.390 1.00 0.00 S ATOM 0 H CYS A 18 -3.255 0.940 -6.963 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.426 -0.097 -9.166 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.495 -1.471 -9.490 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.119 0.203 -9.136 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.742 -2.381 -6.876 1.00 0.00 H new ATOM 126 N GLY A 19 -5.650 -1.850 -7.130 1.00 0.00 N ATOM 127 CA GLY A 19 -6.330 -3.070 -6.650 1.00 0.00 C ATOM 128 C GLY A 19 -5.610 -3.750 -5.480 1.00 0.00 C ATOM 129 O GLY A 19 -6.180 -3.930 -4.410 1.00 0.00 O ATOM 0 H GLY A 19 -6.117 -0.989 -6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.344 -2.814 -6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.415 -3.778 -7.475 1.00 0.00 H new ATOM 130 N SER A 20 -4.350 -4.110 -5.690 1.00 0.00 N ATOM 131 CA SER A 20 -3.520 -4.790 -4.670 1.00 0.00 C ATOM 132 C SER A 20 -3.440 -4.160 -3.280 1.00 0.00 C ATOM 133 O SER A 20 -4.100 -4.680 -2.390 1.00 0.00 O ATOM 134 CB SER A 20 -2.120 -5.050 -5.240 1.00 0.00 C ATOM 135 OG SER A 20 -1.510 -3.820 -5.630 1.00 0.00 O ATOM 0 H SER A 20 -3.862 -3.944 -6.570 1.00 0.00 H new ATOM 0 HA SER A 20 -4.055 -5.718 -4.470 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.503 -5.550 -4.494 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.187 -5.719 -6.098 1.00 0.00 H new ATOM 0 HG SER A 20 -0.785 -4.001 -6.264 1.00 0.00 H new ATOM 136 N CYS A 21 -2.990 -2.910 -3.200 1.00 0.00 N ATOM 137 CA CYS A 21 -2.800 -2.090 -1.970 1.00 0.00 C ATOM 138 C CYS A 21 -4.130 -2.000 -1.220 1.00 0.00 C ATOM 139 O CYS A 21 -4.120 -2.310 -0.050 1.00 0.00 O ATOM 140 CB CYS A 21 -2.330 -0.700 -2.400 1.00 0.00 C ATOM 141 SG CYS A 21 -1.030 -0.700 -3.690 1.00 0.00 S ATOM 0 H CYS A 21 -2.726 -2.394 -4.039 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.059 -2.539 -1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.189 -0.138 -2.768 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.954 -0.171 -1.524 1.00 0.00 H new ATOM 0 HG CYS A 21 -0.831 0.516 -4.106 1.00 0.00 H new ATOM 142 N LYS A 22 -5.240 -2.020 -1.960 1.00 0.00 N ATOM 143 CA LYS A 22 -6.600 -2.010 -1.380 1.00 0.00 C ATOM 144 C LYS A 22 -6.790 -3.190 -0.420 1.00 0.00 C ATOM 145 O LYS A 22 -6.660 -3.010 0.790 1.00 0.00 O ATOM 146 CB LYS A 22 -7.560 -2.060 -2.560 1.00 0.00 C ATOM 147 CG LYS A 22 -7.820 -0.720 -3.270 1.00 0.00 C ATOM 148 CD LYS A 22 -8.760 -0.970 -4.440 1.00 0.00 C ATOM 149 CE LYS A 22 -8.730 0.140 -5.500 1.00 0.00 C ATOM 150 NZ LYS A 22 -8.920 1.490 -4.960 1.00 0.00 N ATOM 0 H LYS A 22 -5.230 -2.044 -2.980 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.782 -1.117 -0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.170 -2.767 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.514 -2.456 -2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.260 -0.003 -2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.883 -0.289 -3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.497 -1.917 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.777 -1.073 -4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.775 0.101 -6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.507 -0.057 -6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.989 2.171 -5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.795 1.519 -4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.111 1.739 -4.355 1.00 0.00 H new ATOM 151 N VAL A 23 -6.660 -4.380 -1.000 1.00 0.00 N ATOM 152 CA VAL A 23 -6.940 -5.680 -0.390 1.00 0.00 C ATOM 153 C VAL A 23 -5.900 -5.960 0.720 1.00 0.00 C ATOM 154 O VAL A 23 -6.180 -6.440 1.820 1.00 0.00 O ATOM 155 CB VAL A 23 -6.820 -6.880 -1.320 1.00 0.00 C ATOM 156 CG1 VAL A 23 -7.460 -8.100 -0.700 1.00 0.00 C ATOM 157 CG2 VAL A 23 -7.510 -6.510 -2.570 1.00 0.00 C ATOM 0 H VAL A 23 -6.338 -4.470 -1.964 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.972 -5.592 -0.051 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.775 -7.129 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.364 -8.947 -1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.963 -8.333 0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.516 -7.902 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.454 -7.339 -3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.555 -6.286 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.032 -5.632 -3.003 1.00 0.00 H new ATOM 158 N PHE A 24 -4.690 -5.640 0.290 1.00 0.00 N ATOM 159 CA PHE A 24 -3.410 -5.820 0.980 1.00 0.00 C ATOM 160 C PHE A 24 -3.400 -5.130 2.360 1.00 0.00 C ATOM 161 O PHE A 24 -3.520 -5.790 3.380 1.00 0.00 O ATOM 162 CB PHE A 24 -2.400 -5.060 0.060 1.00 0.00 C ATOM 163 CG PHE A 24 -1.090 -4.580 0.560 1.00 0.00 C ATOM 164 CD1 PHE A 24 -1.290 -3.290 0.990 1.00 0.00 C ATOM 165 CD2 PHE A 24 0.180 -5.090 0.280 1.00 0.00 C ATOM 166 CE1 PHE A 24 -0.220 -2.460 1.350 1.00 0.00 C ATOM 167 CE2 PHE A 24 1.300 -4.250 0.550 1.00 0.00 C ATOM 168 CZ PHE A 24 1.060 -2.960 1.110 1.00 0.00 C ATOM 0 H PHE A 24 -4.561 -5.212 -0.627 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.189 -6.875 1.145 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.193 -5.714 -0.787 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.925 -4.189 -0.331 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.298 -2.906 1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.309 -6.083 -0.126 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.378 -1.486 1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.305 -4.582 0.336 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.909 -2.341 1.360 1.00 0.00 H new ATOM 169 N PHE A 25 -3.800 -3.860 2.240 1.00 0.00 N ATOM 170 CA PHE A 25 -3.830 -2.820 3.280 1.00 0.00 C ATOM 171 C PHE A 25 -4.840 -3.440 4.280 1.00 0.00 C ATOM 172 O PHE A 25 -4.500 -4.020 5.310 1.00 0.00 O ATOM 173 CB PHE A 25 -4.220 -1.470 2.730 1.00 0.00 C ATOM 174 CG PHE A 25 -4.750 -0.470 3.710 1.00 0.00 C ATOM 175 CD1 PHE A 25 -3.740 0.150 4.400 1.00 0.00 C ATOM 176 CD2 PHE A 25 -6.090 -0.080 3.730 1.00 0.00 C ATOM 177 CE1 PHE A 25 -4.050 1.330 5.110 1.00 0.00 C ATOM 178 CE2 PHE A 25 -6.420 1.050 4.540 1.00 0.00 C ATOM 179 CZ PHE A 25 -5.390 1.750 5.200 1.00 0.00 C ATOM 0 H PHE A 25 -4.137 -3.503 1.346 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.869 -2.591 3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.347 -1.037 2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.975 -1.622 1.958 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.738 -0.252 4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.841 -0.607 3.161 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.266 1.905 5.580 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.448 1.364 4.645 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.634 2.624 5.785 1.00 0.00 H new ATOM 180 N LYS A 26 -5.990 -3.630 3.620 1.00 0.00 N ATOM 181 CA LYS A 26 -7.280 -4.240 3.920 1.00 0.00 C ATOM 182 C LYS A 26 -7.110 -5.230 5.120 1.00 0.00 C ATOM 183 O LYS A 26 -7.620 -5.040 6.210 1.00 0.00 O ATOM 184 CB LYS A 26 -8.350 -4.300 2.990 1.00 0.00 C ATOM 185 CG LYS A 26 -9.800 -4.260 3.290 1.00 0.00 C ATOM 186 CD LYS A 26 -10.590 -5.580 3.610 1.00 0.00 C ATOM 187 CE LYS A 26 -12.100 -5.370 3.530 1.00 0.00 C ATOM 188 NZ LYS A 26 -12.800 -6.650 3.750 1.00 0.00 N ATOM 0 H LYS A 26 -6.030 -3.280 2.663 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.998 -3.470 4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.176 -3.477 2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.196 -5.224 2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.933 -3.592 4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.291 -3.791 2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.294 -6.360 2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.324 -5.930 4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.414 -4.641 4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.368 -4.963 2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.828 -6.495 3.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.524 -7.328 3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.543 -7.030 4.683 1.00 0.00 H new ATOM 189 N ARG A 27 -6.670 -6.400 4.670 1.00 0.00 N ATOM 190 CA ARG A 27 -6.360 -7.580 5.480 1.00 0.00 C ATOM 191 C ARG A 27 -5.770 -7.360 6.890 1.00 0.00 C ATOM 192 O ARG A 27 -6.150 -7.980 7.870 1.00 0.00 O ATOM 193 CB ARG A 27 -5.420 -8.580 4.810 1.00 0.00 C ATOM 194 CG ARG A 27 -5.970 -9.210 3.530 1.00 0.00 C ATOM 195 CD ARG A 27 -4.930 -10.150 2.910 1.00 0.00 C ATOM 196 NE ARG A 27 -3.770 -9.390 2.420 1.00 0.00 N ATOM 197 CZ ARG A 27 -2.500 -9.510 2.840 1.00 0.00 C ATOM 198 NH1 ARG A 27 -2.180 -10.200 3.930 1.00 0.00 N ATOM 199 NH2 ARG A 27 -1.550 -8.790 2.250 1.00 0.00 N ATOM 0 H ARG A 27 -6.510 -6.563 3.676 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.377 -7.960 5.582 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.481 -8.077 4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.189 -9.374 5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.883 -9.763 3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.235 -8.429 2.817 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.606 -10.881 3.651 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.380 -10.707 2.088 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.948 -8.703 1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.910 -10.659 4.476 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.205 -10.271 4.221 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.790 -8.156 1.488 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.582 -8.872 2.560 1.00 0.00 H new ATOM 200 N ALA A 28 -4.810 -6.450 6.890 1.00 0.00 N ATOM 201 CA ALA A 28 -3.950 -5.940 7.980 1.00 0.00 C ATOM 202 C ALA A 28 -4.870 -5.050 8.880 1.00 0.00 C ATOM 203 O ALA A 28 -4.900 -5.160 10.090 1.00 0.00 O ATOM 204 CB ALA A 28 -2.790 -5.340 7.410 1.00 0.00 C ATOM 0 H ALA A 28 -4.574 -5.981 6.015 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.532 -6.699 8.641 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.149 -4.960 8.205 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.245 -6.083 6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.088 -4.517 6.760 1.00 0.00 H new ATOM 205 N VAL A 29 -5.390 -4.050 8.180 1.00 0.00 N ATOM 206 CA VAL A 29 -6.330 -2.960 8.510 1.00 0.00 C ATOM 207 C VAL A 29 -7.300 -3.610 9.550 1.00 0.00 C ATOM 208 O VAL A 29 -7.550 -3.180 10.670 1.00 0.00 O ATOM 209 CB VAL A 29 -6.810 -2.240 7.340 1.00 0.00 C ATOM 210 CG1 VAL A 29 -7.730 -1.080 7.540 1.00 0.00 C ATOM 211 CG2 VAL A 29 -5.590 -1.660 6.720 1.00 0.00 C ATOM 0 H VAL A 29 -5.120 -3.965 7.200 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.910 -2.078 8.995 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.390 -2.969 6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.994 -0.654 6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.634 -1.416 8.048 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.234 -0.322 8.146 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.867 -1.099 5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.102 -0.993 7.431 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.905 -2.462 6.446 1.00 0.00 H new ATOM 212 N GLU A 30 -7.790 -4.690 8.960 1.00 0.00 N ATOM 213 CA GLU A 30 -8.680 -5.740 9.520 1.00 0.00 C ATOM 214 C GLU A 30 -8.060 -6.330 10.800 1.00 0.00 C ATOM 215 O GLU A 30 -8.450 -5.940 11.890 1.00 0.00 O ATOM 216 CB GLU A 30 -8.930 -6.720 8.400 1.00 0.00 C ATOM 217 CG GLU A 30 -10.380 -6.800 8.040 1.00 0.00 C ATOM 218 CD GLU A 30 -10.740 -7.480 6.700 1.00 0.00 C ATOM 219 OE1 GLU A 30 -9.810 -7.870 5.960 1.00 0.00 O ATOM 220 OE2 GLU A 30 -11.950 -7.540 6.410 1.00 0.00 O ATOM 0 H GLU A 30 -7.564 -4.888 7.985 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.647 -5.363 9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.354 -6.423 7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.575 -7.707 8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.897 -7.332 8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.780 -5.786 8.022 1.00 0.00 H new ATOM 221 N GLY A 31 -7.150 -7.300 10.650 1.00 0.00 N ATOM 222 CA GLY A 31 -6.550 -8.030 11.770 1.00 0.00 C ATOM 223 C GLY A 31 -5.050 -7.790 12.050 1.00 0.00 C ATOM 224 O GLY A 31 -4.290 -8.740 12.020 1.00 0.00 O ATOM 0 H GLY A 31 -6.807 -7.602 9.738 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.106 -7.778 12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.694 -9.096 11.594 1.00 0.00 H new ATOM 225 N GLN A 32 -4.700 -6.560 12.440 1.00 0.00 N ATOM 226 CA GLN A 32 -3.330 -6.080 12.770 1.00 0.00 C ATOM 227 C GLN A 32 -2.200 -6.320 11.770 1.00 0.00 C ATOM 228 O GLN A 32 -1.690 -5.370 11.170 1.00 0.00 O ATOM 229 CB GLN A 32 -2.960 -6.500 14.200 1.00 0.00 C ATOM 230 CG GLN A 32 -3.670 -5.660 15.250 1.00 0.00 C ATOM 231 CD GLN A 32 -5.190 -5.840 15.290 1.00 0.00 C ATOM 232 OE1 GLN A 32 -5.720 -6.790 15.850 1.00 0.00 O ATOM 233 NE2 GLN A 32 -5.920 -4.920 14.680 1.00 0.00 N ATOM 0 H GLN A 32 -5.396 -5.821 12.544 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.417 -4.996 12.691 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.214 -7.550 14.345 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.882 -6.411 14.335 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.262 -5.907 16.230 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.447 -4.609 15.067 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.466 -4.133 14.217 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.937 -4.998 14.673 1.00 0.00 H new ATOM 234 N HIS A 33 -1.860 -7.590 11.610 1.00 0.00 N ATOM 235 CA HIS A 33 -0.810 -8.200 10.770 1.00 0.00 C ATOM 236 C HIS A 33 0.630 -7.740 11.030 1.00 0.00 C ATOM 237 O HIS A 33 1.510 -8.570 11.230 1.00 0.00 O ATOM 238 CB HIS A 33 -1.150 -8.140 9.290 1.00 0.00 C ATOM 239 CG HIS A 33 -0.400 -9.220 8.540 1.00 0.00 C ATOM 240 ND1 HIS A 33 0.800 -9.260 7.950 1.00 0.00 N ATOM 241 CD2 HIS A 33 -0.940 -10.400 8.510 1.00 0.00 C ATOM 242 CE1 HIS A 33 0.960 -10.500 7.520 1.00 0.00 C ATOM 243 NE2 HIS A 33 -0.110 -11.220 7.860 1.00 0.00 N ATOM 0 H HIS A 33 -2.367 -8.313 12.121 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.815 -9.240 11.095 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.223 -8.268 9.150 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.890 -7.160 8.889 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.894 -10.671 8.936 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.819 -10.870 6.980 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.265 -12.208 7.661 1.00 0.00 H new ATOM 244 N ASN A 34 0.830 -6.420 11.040 1.00 0.00 N ATOM 245 CA ASN A 34 2.140 -5.750 11.090 1.00 0.00 C ATOM 246 C ASN A 34 2.730 -5.880 9.680 1.00 0.00 C ATOM 247 O ASN A 34 2.850 -6.980 9.150 1.00 0.00 O ATOM 248 CB ASN A 34 3.050 -6.090 12.260 1.00 0.00 C ATOM 249 CG ASN A 34 4.490 -5.530 12.150 1.00 0.00 C ATOM 250 OD1 ASN A 34 4.730 -4.460 11.600 1.00 0.00 O ATOM 251 ND2 ASN A 34 5.470 -6.290 12.600 1.00 0.00 N ATOM 0 H ASN A 34 0.054 -5.758 11.012 1.00 0.00 H new ATOM 0 HA ASN A 34 2.011 -4.698 11.343 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.597 -5.711 13.176 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.104 -7.174 12.357 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.439 -5.990 12.492 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.259 -7.178 13.056 1.00 0.00 H new ATOM 252 N TYR A 35 3.250 -4.770 9.150 1.00 0.00 N ATOM 253 CA TYR A 35 3.630 -4.850 7.730 1.00 0.00 C ATOM 254 C TYR A 35 5.170 -4.980 7.780 1.00 0.00 C ATOM 255 O TYR A 35 5.870 -3.970 7.800 1.00 0.00 O ATOM 256 CB TYR A 35 3.060 -3.810 6.760 1.00 0.00 C ATOM 257 CG TYR A 35 1.870 -4.460 6.110 1.00 0.00 C ATOM 258 CD1 TYR A 35 1.040 -5.510 6.580 1.00 0.00 C ATOM 259 CD2 TYR A 35 1.700 -3.850 4.910 1.00 0.00 C ATOM 260 CE1 TYR A 35 0.030 -5.970 5.730 1.00 0.00 C ATOM 261 CE2 TYR A 35 0.780 -4.370 3.980 1.00 0.00 C ATOM 262 CZ TYR A 35 -0.040 -5.450 4.410 1.00 0.00 C ATOM 263 OH TYR A 35 -0.790 -6.060 3.470 1.00 0.00 O ATOM 0 H TYR A 35 3.409 -3.881 9.625 1.00 0.00 H new ATOM 0 HA TYR A 35 3.149 -5.703 7.252 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.769 -2.902 7.288 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.803 -3.522 6.016 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.183 -5.939 7.561 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.271 -2.965 4.668 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.683 -6.706 6.070 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.700 -3.966 2.982 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.747 -5.549 2.635 1.00 0.00 H new ATOM 264 N LEU A 36 5.670 -6.190 8.040 1.00 0.00 N ATOM 265 CA LEU A 36 7.100 -6.470 8.220 1.00 0.00 C ATOM 266 C LEU A 36 8.200 -6.140 7.200 1.00 0.00 C ATOM 267 O LEU A 36 9.340 -6.600 7.300 1.00 0.00 O ATOM 268 CB LEU A 36 7.280 -7.910 8.740 1.00 0.00 C ATOM 269 CG LEU A 36 6.790 -8.960 7.730 1.00 0.00 C ATOM 270 CD1 LEU A 36 7.620 -10.240 7.870 1.00 0.00 C ATOM 271 CD2 LEU A 36 5.300 -9.260 7.910 1.00 0.00 C ATOM 0 H LEU A 36 5.083 -7.019 8.133 1.00 0.00 H new ATOM 0 HA LEU A 36 7.317 -5.656 8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.333 -8.085 8.961 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.734 -8.027 9.676 1.00 0.00 H new ATOM 0 HG LEU A 36 6.921 -8.556 6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.269 -10.981 7.152 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.669 -10.016 7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.513 -10.634 8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.988 -10.006 7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.125 -9.641 8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.725 -8.346 7.763 1.00 0.00 H new ATOM 272 N CYS A 37 7.940 -5.100 6.420 1.00 0.00 N ATOM 273 CA CYS A 37 8.900 -4.540 5.400 1.00 0.00 C ATOM 274 C CYS A 37 9.480 -5.690 4.580 1.00 0.00 C ATOM 275 O CYS A 37 8.930 -6.790 4.470 1.00 0.00 O ATOM 276 CB CYS A 37 9.860 -3.680 6.230 1.00 0.00 C ATOM 277 SG CYS A 37 11.100 -2.790 5.230 1.00 0.00 S ATOM 0 H CYS A 37 7.054 -4.595 6.456 1.00 0.00 H new ATOM 0 HA CYS A 37 8.479 -3.899 4.625 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.281 -2.956 6.804 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.375 -4.317 6.949 1.00 0.00 H new ATOM 0 HG CYS A 37 10.708 -2.745 3.991 1.00 0.00 H new ATOM 314 N CYS A 43 13.640 0.100 2.160 1.00 0.00 N ATOM 315 CA CYS A 43 12.210 0.240 1.880 1.00 0.00 C ATOM 316 C CYS A 43 11.760 1.570 1.260 1.00 0.00 C ATOM 317 O CYS A 43 11.590 2.590 1.920 1.00 0.00 O ATOM 318 CB CYS A 43 11.530 -0.170 3.130 1.00 0.00 C ATOM 319 SG CYS A 43 9.880 0.380 3.740 1.00 0.00 S ATOM 0 HA CYS A 43 11.916 -0.407 1.053 1.00 0.00 H new ATOM 0 HB2 CYS A 43 11.470 -1.257 3.081 1.00 0.00 H new ATOM 0 HB3 CYS A 43 12.228 0.075 3.930 1.00 0.00 H new ATOM 0 HG CYS A 43 9.622 -0.199 4.875 1.00 0.00 H new ATOM 320 N ILE A 44 11.820 1.490 -0.070 1.00 0.00 N ATOM 321 CA ILE A 44 11.480 2.570 -1.010 1.00 0.00 C ATOM 322 C ILE A 44 10.370 2.070 -1.960 1.00 0.00 C ATOM 323 O ILE A 44 10.500 1.040 -2.630 1.00 0.00 O ATOM 324 CB ILE A 44 12.610 3.240 -1.760 1.00 0.00 C ATOM 325 CG1 ILE A 44 13.750 3.420 -0.760 1.00 0.00 C ATOM 326 CG2 ILE A 44 12.050 4.510 -2.370 1.00 0.00 C ATOM 327 CD1 ILE A 44 13.630 4.570 0.250 1.00 0.00 C ATOM 0 H ILE A 44 12.118 0.638 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 44 11.134 3.390 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 44 13.022 2.670 -2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.857 2.491 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.673 3.561 -1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.836 5.026 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.235 4.259 -3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.676 5.160 -1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 44 14.507 4.579 0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.563 5.518 -0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 44 12.735 4.430 0.856 1.00 0.00 H new ATOM 328 N ILE A 45 9.300 2.840 -1.960 1.00 0.00 N ATOM 329 CA ILE A 45 8.200 2.680 -2.920 1.00 0.00 C ATOM 330 C ILE A 45 8.090 4.010 -3.680 1.00 0.00 C ATOM 331 O ILE A 45 8.390 5.080 -3.150 1.00 0.00 O ATOM 332 CB ILE A 45 6.890 2.200 -2.200 1.00 0.00 C ATOM 333 CG1 ILE A 45 6.140 1.030 -2.690 1.00 0.00 C ATOM 334 CG2 ILE A 45 6.040 3.420 -1.860 1.00 0.00 C ATOM 335 CD1 ILE A 45 6.960 -0.270 -2.620 1.00 0.00 C ATOM 0 H ILE A 45 9.158 3.601 -1.295 1.00 0.00 H new ATOM 0 HA ILE A 45 8.385 1.890 -3.648 1.00 0.00 H new ATOM 0 HB ILE A 45 7.257 1.707 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.230 0.914 -2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.832 1.206 -3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.127 3.099 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.601 4.082 -1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.784 3.952 -2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.359 -1.100 -2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.857 -0.168 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.246 -0.465 -1.586 1.00 0.00 H new ATOM 336 N ASP A 46 7.710 3.840 -4.930 1.00 0.00 N ATOM 337 CA ASP A 46 7.400 4.880 -5.910 1.00 0.00 C ATOM 338 C ASP A 46 7.960 4.440 -7.280 1.00 0.00 C ATOM 339 O ASP A 46 8.870 3.620 -7.310 1.00 0.00 O ATOM 340 CB ASP A 46 7.450 6.360 -5.660 1.00 0.00 C ATOM 341 CG ASP A 46 8.830 6.960 -5.310 1.00 0.00 C ATOM 342 OD1 ASP A 46 9.820 6.480 -5.910 1.00 0.00 O ATOM 343 OD2 ASP A 46 8.860 7.890 -4.480 1.00 0.00 O ATOM 0 H ASP A 46 7.599 2.905 -5.324 1.00 0.00 H new ATOM 0 HA ASP A 46 6.314 4.899 -5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.074 6.868 -6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.763 6.591 -4.846 1.00 0.00 H new ATOM 344 N LYS A 47 7.230 4.790 -8.340 1.00 0.00 N ATOM 345 CA LYS A 47 7.580 4.400 -9.730 1.00 0.00 C ATOM 346 C LYS A 47 7.770 2.860 -9.750 1.00 0.00 C ATOM 347 O LYS A 47 8.670 2.340 -10.400 1.00 0.00 O ATOM 348 CB LYS A 47 8.620 5.280 -10.400 1.00 0.00 C ATOM 349 CG LYS A 47 9.910 5.610 -9.640 1.00 0.00 C ATOM 350 CD LYS A 47 10.920 4.460 -9.590 1.00 0.00 C ATOM 351 CE LYS A 47 12.020 4.820 -8.590 1.00 0.00 C ATOM 352 NZ LYS A 47 13.010 3.740 -8.520 1.00 0.00 N ATOM 0 H LYS A 47 6.380 5.350 -8.273 1.00 0.00 H new ATOM 0 HA LYS A 47 6.763 4.615 -10.418 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.903 4.801 -11.337 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.138 6.223 -10.657 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.383 6.474 -10.107 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.654 5.899 -8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.426 3.535 -9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.348 4.289 -10.578 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.505 5.749 -8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.585 4.990 -7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.948 4.142 -8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.748 3.078 -7.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.037 3.234 -9.428 1.00 0.00 H new ATOM 353 N ILE A 48 6.830 2.180 -9.080 1.00 0.00 N ATOM 354 CA ILE A 48 6.740 0.710 -8.880 1.00 0.00 C ATOM 355 C ILE A 48 7.860 0.070 -8.070 1.00 0.00 C ATOM 356 O ILE A 48 7.640 -0.340 -6.930 1.00 0.00 O ATOM 357 CB ILE A 48 6.490 0.060 -10.240 1.00 0.00 C ATOM 358 CG1 ILE A 48 5.680 0.890 -11.230 1.00 0.00 C ATOM 359 CG2 ILE A 48 5.540 -1.160 -10.200 1.00 0.00 C ATOM 360 CD1 ILE A 48 6.130 0.790 -12.720 1.00 0.00 C ATOM 0 H ILE A 48 6.055 2.667 -8.629 1.00 0.00 H new ATOM 0 HA ILE A 48 5.894 0.518 -8.220 1.00 0.00 H new ATOM 0 HB ILE A 48 7.526 -0.131 -10.521 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.636 0.585 -11.163 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.727 1.935 -10.924 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.418 -1.559 -11.207 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.962 -1.929 -9.553 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.569 -0.852 -9.812 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.488 1.418 -13.337 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.163 1.126 -12.812 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.054 -0.245 -13.054 1.00 0.00 H new ATOM 361 N ARG A 49 9.060 0.270 -8.580 1.00 0.00 N ATOM 362 CA ARG A 49 10.360 -0.250 -8.090 1.00 0.00 C ATOM 363 C ARG A 49 10.260 -1.580 -7.310 1.00 0.00 C ATOM 364 O ARG A 49 9.960 -2.600 -7.920 1.00 0.00 O ATOM 365 CB ARG A 49 11.200 0.860 -7.430 1.00 0.00 C ATOM 366 CG ARG A 49 10.620 1.480 -6.150 1.00 0.00 C ATOM 367 CD ARG A 49 11.490 2.620 -5.610 1.00 0.00 C ATOM 368 NE ARG A 49 12.850 2.160 -5.280 1.00 0.00 N ATOM 369 CZ ARG A 49 13.990 2.800 -5.550 1.00 0.00 C ATOM 370 NH1 ARG A 49 14.030 4.090 -5.870 1.00 0.00 N ATOM 371 NH2 ARG A 49 15.150 2.200 -5.260 1.00 0.00 N ATOM 0 H ARG A 49 9.181 0.844 -9.415 1.00 0.00 H new ATOM 0 HA ARG A 49 10.934 -0.555 -8.965 1.00 0.00 H new ATOM 0 HB2 ARG A 49 12.184 0.453 -7.198 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.349 1.656 -8.159 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.617 1.856 -6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.522 0.708 -5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.546 3.417 -6.351 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.024 3.043 -4.721 1.00 0.00 H new ATOM 0 HE ARG A 49 12.928 1.265 -4.798 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.166 4.631 -5.917 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.924 4.539 -6.069 1.00 0.00 H new ATOM 0 HH21 ARG A 49 15.152 1.270 -4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 49 16.032 2.672 -5.459 1.00 0.00 H new ATOM 372 N ARG A 50 10.280 -1.530 -5.980 1.00 0.00 N ATOM 373 CA ARG A 50 10.190 -2.750 -5.160 1.00 0.00 C ATOM 374 C ARG A 50 8.860 -2.830 -4.400 1.00 0.00 C ATOM 375 O ARG A 50 8.780 -3.050 -3.190 1.00 0.00 O ATOM 376 CB ARG A 50 11.440 -3.060 -4.310 1.00 0.00 C ATOM 377 CG ARG A 50 11.870 -2.040 -3.240 1.00 0.00 C ATOM 378 CD ARG A 50 12.630 -0.830 -3.790 1.00 0.00 C ATOM 379 NE ARG A 50 13.880 -1.190 -4.480 1.00 0.00 N ATOM 380 CZ ARG A 50 15.110 -0.750 -4.170 1.00 0.00 C ATOM 381 NH1 ARG A 50 15.360 -0.050 -3.060 1.00 0.00 N ATOM 382 NH2 ARG A 50 16.140 -1.110 -4.920 1.00 0.00 N ATOM 0 H ARG A 50 10.357 -0.666 -5.443 1.00 0.00 H new ATOM 0 HA ARG A 50 10.184 -3.580 -5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.273 -4.014 -3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.279 -3.199 -4.992 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.983 -1.688 -2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 50 12.497 -2.545 -2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.985 -0.288 -4.482 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.859 -0.150 -2.969 1.00 0.00 H new ATOM 0 HE ARG A 50 13.804 -1.834 -5.267 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.602 0.168 -2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 50 16.309 0.267 -2.860 1.00 0.00 H new ATOM 0 HH21 ARG A 50 15.996 -1.717 -5.727 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.078 -0.780 -4.691 1.00 0.00 H new ATOM 383 N LYS A 51 7.840 -2.910 -5.260 1.00 0.00 N ATOM 384 CA LYS A 51 6.390 -3.010 -4.990 1.00 0.00 C ATOM 385 C LYS A 51 6.150 -4.110 -3.910 1.00 0.00 C ATOM 386 O LYS A 51 5.390 -3.900 -2.970 1.00 0.00 O ATOM 387 CB LYS A 51 5.580 -3.060 -6.230 1.00 0.00 C ATOM 388 CG LYS A 51 4.100 -3.040 -5.850 1.00 0.00 C ATOM 389 CD LYS A 51 3.180 -2.810 -7.050 1.00 0.00 C ATOM 390 CE LYS A 51 1.710 -3.070 -6.710 1.00 0.00 C ATOM 391 NZ LYS A 51 1.230 -2.100 -5.720 1.00 0.00 N ATOM 0 H LYS A 51 8.020 -2.907 -6.264 1.00 0.00 H new ATOM 0 HA LYS A 51 6.007 -2.093 -4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.817 -2.211 -6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.812 -3.961 -6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.839 -3.986 -5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.930 -2.255 -5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.294 -1.785 -7.402 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.483 -3.463 -7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.105 -3.005 -7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.594 -4.082 -6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.168 -2.557 -4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.892 -1.299 -5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.290 -1.755 -6.000 1.00 0.00 H new ATOM 392 N ASN A 52 6.940 -5.180 -4.000 1.00 0.00 N ATOM 393 CA ASN A 52 6.880 -6.350 -3.080 1.00 0.00 C ATOM 394 C ASN A 52 6.990 -5.980 -1.600 1.00 0.00 C ATOM 395 O ASN A 52 6.410 -6.670 -0.770 1.00 0.00 O ATOM 396 CB ASN A 52 8.010 -7.250 -3.570 1.00 0.00 C ATOM 397 CG ASN A 52 7.920 -8.730 -3.160 1.00 0.00 C ATOM 398 OD1 ASN A 52 8.350 -9.610 -3.890 1.00 0.00 O ATOM 399 ND2 ASN A 52 7.370 -9.040 -2.010 1.00 0.00 N ATOM 0 H ASN A 52 7.656 -5.274 -4.721 1.00 0.00 H new ATOM 0 HA ASN A 52 5.911 -6.847 -3.113 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.044 -7.197 -4.658 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.954 -6.848 -3.201 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.301 -10.017 -1.724 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.011 -8.304 -1.401 1.00 0.00 H new ATOM 400 N CYS A 53 7.740 -4.930 -1.280 1.00 0.00 N ATOM 401 CA CYS A 53 7.910 -4.480 0.100 1.00 0.00 C ATOM 402 C CYS A 53 6.610 -3.930 0.700 1.00 0.00 C ATOM 403 O CYS A 53 6.180 -2.830 0.350 1.00 0.00 O ATOM 404 CB CYS A 53 9.060 -3.460 0.270 1.00 0.00 C ATOM 405 SG CYS A 53 9.340 -3.000 2.020 1.00 0.00 S ATOM 0 H CYS A 53 8.245 -4.369 -1.965 1.00 0.00 H new ATOM 0 HA CYS A 53 8.187 -5.374 0.658 1.00 0.00 H new ATOM 0 HB2 CYS A 53 9.977 -3.880 -0.143 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.833 -2.563 -0.306 1.00 0.00 H new ATOM 0 HG CYS A 53 8.198 -2.769 2.596 1.00 0.00 H new ATOM 406 N PRO A 54 6.060 -4.630 1.700 1.00 0.00 N ATOM 407 CA PRO A 54 4.720 -4.380 2.250 1.00 0.00 C ATOM 408 C PRO A 54 4.470 -3.030 2.970 1.00 0.00 C ATOM 409 O PRO A 54 3.830 -2.160 2.390 1.00 0.00 O ATOM 410 CB PRO A 54 4.440 -5.570 3.170 1.00 0.00 C ATOM 411 CG PRO A 54 5.420 -6.640 2.690 1.00 0.00 C ATOM 412 CD PRO A 54 6.660 -5.800 2.360 1.00 0.00 C ATOM 0 HA PRO A 54 4.031 -4.286 1.410 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.607 -5.315 4.216 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.407 -5.907 3.085 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.623 -7.384 3.460 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.045 -7.177 1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 54 7.218 -5.524 3.255 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.351 -6.330 1.705 1.00 0.00 H new ATOM 413 N ALA A 55 5.190 -2.760 4.060 1.00 0.00 N ATOM 414 CA ALA A 55 4.980 -1.620 4.950 1.00 0.00 C ATOM 415 C ALA A 55 5.150 -0.260 4.210 1.00 0.00 C ATOM 416 O ALA A 55 4.240 0.540 4.180 1.00 0.00 O ATOM 417 CB ALA A 55 5.830 -1.590 6.170 1.00 0.00 C ATOM 0 H ALA A 55 5.965 -3.353 4.357 1.00 0.00 H new ATOM 0 HA ALA A 55 3.951 -1.761 5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.592 -0.703 6.758 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.641 -2.482 6.767 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.881 -1.562 5.881 1.00 0.00 H new ATOM 418 N CYS A 56 6.090 -0.390 3.270 1.00 0.00 N ATOM 419 CA CYS A 56 6.740 0.530 2.310 1.00 0.00 C ATOM 420 C CYS A 56 5.550 1.290 1.660 1.00 0.00 C ATOM 421 O CYS A 56 5.160 2.390 2.050 1.00 0.00 O ATOM 422 CB CYS A 56 7.550 -0.270 1.420 1.00 0.00 C ATOM 423 SG CYS A 56 8.780 0.310 0.180 1.00 0.00 S ATOM 0 H CYS A 56 6.490 -1.319 3.138 1.00 0.00 H new ATOM 0 HA CYS A 56 7.430 1.265 2.723 1.00 0.00 H new ATOM 0 HB2 CYS A 56 8.101 -0.950 2.070 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.840 -0.874 0.855 1.00 0.00 H new ATOM 0 HG CYS A 56 9.749 -0.552 0.094 1.00 0.00 H new ATOM 424 N ARG A 57 4.740 0.410 1.080 1.00 0.00 N ATOM 425 CA ARG A 57 3.570 0.780 0.290 1.00 0.00 C ATOM 426 C ARG A 57 2.350 1.200 1.100 1.00 0.00 C ATOM 427 O ARG A 57 1.860 2.310 0.910 1.00 0.00 O ATOM 428 CB ARG A 57 3.370 -0.450 -0.550 1.00 0.00 C ATOM 429 CG ARG A 57 2.090 -0.490 -1.420 1.00 0.00 C ATOM 430 CD ARG A 57 2.340 -1.170 -2.770 1.00 0.00 C ATOM 431 NE ARG A 57 2.670 -2.600 -2.660 1.00 0.00 N ATOM 432 CZ ARG A 57 1.840 -3.630 -2.860 1.00 0.00 C ATOM 433 NH1 ARG A 57 0.520 -3.460 -3.010 1.00 0.00 N ATOM 434 NH2 ARG A 57 2.310 -4.860 -2.780 1.00 0.00 N ATOM 0 H ARG A 57 4.880 -0.598 1.147 1.00 0.00 H new ATOM 0 HA ARG A 57 3.721 1.687 -0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.233 -0.559 -1.207 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.361 -1.317 0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.304 -1.022 -0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.731 0.526 -1.586 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.453 -1.058 -3.393 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.155 -0.656 -3.280 1.00 0.00 H new ATOM 0 HE ARG A 57 3.631 -2.829 -2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.119 -2.523 -2.973 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.084 -4.268 -3.161 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.295 -5.017 -2.568 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.688 -5.654 -2.930 1.00 0.00 H new ATOM 435 N TYR A 58 2.090 0.450 2.180 1.00 0.00 N ATOM 436 CA TYR A 58 0.950 0.690 3.050 1.00 0.00 C ATOM 437 C TYR A 58 1.090 2.110 3.660 1.00 0.00 C ATOM 438 O TYR A 58 0.180 2.920 3.620 1.00 0.00 O ATOM 439 CB TYR A 58 0.880 -0.350 4.150 1.00 0.00 C ATOM 440 CG TYR A 58 -0.140 -0.200 5.280 1.00 0.00 C ATOM 441 CD1 TYR A 58 -0.440 1.000 5.980 1.00 0.00 C ATOM 442 CD2 TYR A 58 -0.750 -1.410 5.600 1.00 0.00 C ATOM 443 CE1 TYR A 58 -1.370 0.970 7.020 1.00 0.00 C ATOM 444 CE2 TYR A 58 -1.790 -1.410 6.530 1.00 0.00 C ATOM 445 CZ TYR A 58 -2.030 -0.250 7.300 1.00 0.00 C ATOM 446 OH TYR A 58 -2.950 -0.300 8.300 1.00 0.00 O ATOM 0 H TYR A 58 2.670 -0.338 2.468 1.00 0.00 H new ATOM 0 HA TYR A 58 0.029 0.619 2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.697 -1.313 3.674 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.867 -0.403 4.609 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.047 1.925 5.710 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.425 -2.330 5.138 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.581 1.858 7.598 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.405 -2.288 6.660 1.00 0.00 H new ATOM 0 HH TYR A 58 -3.381 0.575 8.392 1.00 0.00 H new ATOM 447 N ARG A 59 2.320 2.420 4.080 1.00 0.00 N ATOM 448 CA ARG A 59 2.710 3.690 4.700 1.00 0.00 C ATOM 449 C ARG A 59 2.390 4.850 3.750 1.00 0.00 C ATOM 450 O ARG A 59 1.480 5.630 4.030 1.00 0.00 O ATOM 451 CB ARG A 59 4.210 3.630 5.030 1.00 0.00 C ATOM 452 CG ARG A 59 4.590 4.430 6.260 1.00 0.00 C ATOM 453 CD ARG A 59 6.060 4.690 6.070 1.00 0.00 C ATOM 454 NE ARG A 59 6.260 6.150 5.970 1.00 0.00 N ATOM 455 CZ ARG A 59 7.230 6.800 5.310 1.00 0.00 C ATOM 456 NH1 ARG A 59 8.200 6.170 4.650 1.00 0.00 N ATOM 457 NH2 ARG A 59 7.220 8.130 5.300 1.00 0.00 N ATOM 0 H ARG A 59 3.101 1.769 3.994 1.00 0.00 H new ATOM 0 HA ARG A 59 2.152 3.856 5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.500 2.590 5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.777 4.000 4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.023 5.359 6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.396 3.873 7.177 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.629 4.285 6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.421 4.194 5.169 1.00 0.00 H new ATOM 0 HE ARG A 59 5.581 6.732 6.460 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.226 5.150 4.632 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.917 6.707 4.162 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.483 8.638 5.789 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.949 8.642 4.803 1.00 0.00 H new ATOM 458 N LYS A 60 2.750 4.640 2.490 1.00 0.00 N ATOM 459 CA LYS A 60 2.440 5.650 1.480 1.00 0.00 C ATOM 460 C LYS A 60 1.040 5.620 0.910 1.00 0.00 C ATOM 461 O LYS A 60 0.560 6.640 0.440 1.00 0.00 O ATOM 462 CB LYS A 60 3.480 5.600 0.340 1.00 0.00 C ATOM 463 CG LYS A 60 4.820 6.310 0.590 1.00 0.00 C ATOM 464 CD LYS A 60 5.790 5.500 1.450 1.00 0.00 C ATOM 465 CE LYS A 60 7.220 6.040 1.360 1.00 0.00 C ATOM 466 NZ LYS A 60 7.830 5.740 0.060 1.00 0.00 N ATOM 0 H LYS A 60 3.239 3.812 2.149 1.00 0.00 H new ATOM 0 HA LYS A 60 2.491 6.596 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.687 4.554 0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.027 6.034 -0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.291 6.527 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.630 7.267 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.459 5.521 2.488 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.775 4.458 1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.213 7.118 1.519 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.825 5.604 2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.750 6.220 -0.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.968 4.713 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.206 6.074 -0.702 1.00 0.00 H new ATOM 467 N CYS A 61 0.300 4.560 1.240 1.00 0.00 N ATOM 468 CA CYS A 61 -1.140 4.460 0.940 1.00 0.00 C ATOM 469 C CYS A 61 -1.830 5.520 1.800 1.00 0.00 C ATOM 470 O CYS A 61 -2.250 6.510 1.220 1.00 0.00 O ATOM 471 CB CYS A 61 -1.660 3.060 1.250 1.00 0.00 C ATOM 472 SG CYS A 61 -1.120 1.730 0.110 1.00 0.00 S ATOM 0 H CYS A 61 0.676 3.744 1.723 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.342 4.631 -0.117 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -1.348 2.794 2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.750 3.091 1.250 1.00 0.00 H new ATOM 0 HG CYS A 61 0.175 1.756 -0.005 1.00 0.00 H new ATOM 473 N LEU A 62 -1.340 5.610 3.040 1.00 0.00 N ATOM 474 CA LEU A 62 -1.850 6.530 4.090 1.00 0.00 C ATOM 475 C LEU A 62 -1.590 8.000 3.680 1.00 0.00 C ATOM 476 O LEU A 62 -2.420 8.880 3.820 1.00 0.00 O ATOM 477 CB LEU A 62 -1.250 6.290 5.440 1.00 0.00 C ATOM 478 CG LEU A 62 -1.300 4.830 5.850 1.00 0.00 C ATOM 479 CD1 LEU A 62 -0.400 4.600 7.040 1.00 0.00 C ATOM 480 CD2 LEU A 62 -2.740 4.600 6.290 1.00 0.00 C ATOM 0 H LEU A 62 -0.560 5.037 3.360 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.919 6.331 4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.214 6.628 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.779 6.890 6.180 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.983 4.170 5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.441 3.550 7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.624 4.865 6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.733 5.219 7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.863 3.564 6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.976 5.262 7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.412 4.810 5.458 1.00 0.00 H new ATOM 481 N GLN A 63 -0.370 8.150 3.170 1.00 0.00 N ATOM 482 CA GLN A 63 0.410 9.340 2.770 1.00 0.00 C ATOM 483 C GLN A 63 -0.220 9.940 1.490 1.00 0.00 C ATOM 484 O GLN A 63 -0.110 11.130 1.220 1.00 0.00 O ATOM 485 CB GLN A 63 1.830 8.980 2.940 1.00 0.00 C ATOM 486 CG GLN A 63 2.140 8.640 4.380 1.00 0.00 C ATOM 487 CD GLN A 63 3.420 7.880 4.800 1.00 0.00 C ATOM 488 OE1 GLN A 63 3.510 7.400 5.920 1.00 0.00 O ATOM 489 NE2 GLN A 63 4.450 7.800 3.980 1.00 0.00 N ATOM 0 H GLN A 63 0.187 7.313 2.998 1.00 0.00 H new ATOM 0 HA GLN A 63 0.372 10.246 3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.071 8.129 2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.459 9.809 2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.143 9.582 4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.296 8.058 4.751 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.387 8.197 3.042 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.309 7.341 4.283 1.00 0.00 H new ATOM 490 N ALA A 64 -0.720 9.030 0.680 1.00 0.00 N ATOM 491 CA ALA A 64 -1.460 9.320 -0.560 1.00 0.00 C ATOM 492 C ALA A 64 -2.890 9.790 -0.220 1.00 0.00 C ATOM 493 O ALA A 64 -3.580 10.430 -1.000 1.00 0.00 O ATOM 494 CB ALA A 64 -1.550 8.080 -1.430 1.00 0.00 C ATOM 0 H ALA A 64 -0.627 8.030 0.861 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.927 10.103 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.100 8.314 -2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.546 7.743 -1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.069 7.291 -0.886 1.00 0.00 H new ATOM 495 N GLY A 65 -3.350 9.040 0.770 1.00 0.00 N ATOM 496 CA GLY A 65 -4.570 9.130 1.560 1.00 0.00 C ATOM 497 C GLY A 65 -5.520 7.930 1.420 1.00 0.00 C ATOM 498 O GLY A 65 -6.710 7.980 1.750 1.00 0.00 O ATOM 0 H GLY A 65 -2.797 8.241 1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.299 9.240 2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.106 10.035 1.273 1.00 0.00 H new ATOM 499 N MET A 66 -4.860 6.800 1.210 1.00 0.00 N ATOM 500 CA MET A 66 -5.500 5.510 1.040 1.00 0.00 C ATOM 501 C MET A 66 -5.820 4.790 2.380 1.00 0.00 C ATOM 502 O MET A 66 -4.960 4.130 2.970 1.00 0.00 O ATOM 503 CB MET A 66 -4.980 4.420 0.100 1.00 0.00 C ATOM 504 CG MET A 66 -6.140 3.540 -0.370 1.00 0.00 C ATOM 505 SD MET A 66 -5.740 1.790 -0.730 1.00 0.00 S ATOM 506 CE MET A 66 -6.410 1.040 0.740 1.00 0.00 C ATOM 0 H MET A 66 -3.843 6.757 1.152 1.00 0.00 H new ATOM 0 HA MET A 66 -6.349 5.932 0.501 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.485 4.874 -0.759 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.235 3.811 0.612 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.917 3.563 0.394 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.564 3.986 -1.270 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.693 0.324 1.142 1.00 0.00 H new ATOM 0 HE2 MET A 66 -6.608 1.811 1.484 1.00 0.00 H new ATOM 0 HE3 MET A 66 -7.339 0.525 0.495 1.00 0.00 H new ATOM 507 N ASN A 67 -7.060 4.980 2.790 1.00 0.00 N ATOM 508 CA ASN A 67 -7.640 4.380 4.000 1.00 0.00 C ATOM 509 C ASN A 67 -9.070 3.900 3.800 1.00 0.00 C ATOM 510 O ASN A 67 -10.000 4.650 3.510 1.00 0.00 O ATOM 511 CB ASN A 67 -7.390 5.250 5.230 1.00 0.00 C ATOM 512 CG ASN A 67 -8.080 4.710 6.490 1.00 0.00 C ATOM 513 OD1 ASN A 67 -8.270 3.520 6.690 1.00 0.00 O ATOM 514 ND2 ASN A 67 -8.650 5.630 7.250 1.00 0.00 N ATOM 0 H ASN A 67 -7.719 5.571 2.283 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.106 3.453 4.209 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.317 5.318 5.410 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.745 6.262 5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.260 5.351 8.018 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.480 6.619 7.068 1.00 0.00 H new ATOM 515 N LEU A 68 -9.090 2.560 3.790 1.00 0.00 N ATOM 516 CA LEU A 68 -10.220 1.650 3.680 1.00 0.00 C ATOM 517 C LEU A 68 -11.600 2.290 4.010 1.00 0.00 C ATOM 518 O LEU A 68 -12.490 2.390 3.160 1.00 0.00 O ATOM 519 CB LEU A 68 -10.180 0.140 3.660 1.00 0.00 C ATOM 520 CG LEU A 68 -11.290 -0.570 4.460 1.00 0.00 C ATOM 521 CD1 LEU A 68 -11.790 -1.330 3.250 1.00 0.00 C ATOM 522 CD2 LEU A 68 -10.890 -1.390 5.680 1.00 0.00 C ATOM 0 H LEU A 68 -8.216 2.039 3.868 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.905 1.510 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.236 -0.193 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.214 -0.184 4.048 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.991 0.053 5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.633 -1.959 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.109 -0.624 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.989 -1.955 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -11.780 -1.825 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -10.211 -2.187 5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -10.392 -0.745 6.404 1.00 0.00 H new ATOM 523 N GLU A 69 -11.630 2.830 5.230 1.00 0.00 N ATOM 524 CA GLU A 69 -12.840 3.470 5.780 1.00 0.00 C ATOM 525 C GLU A 69 -13.080 4.880 5.210 1.00 0.00 C ATOM 526 O GLU A 69 -12.750 5.880 5.850 1.00 0.00 O ATOM 527 CB GLU A 69 -12.910 3.400 7.300 1.00 0.00 C ATOM 528 CG GLU A 69 -13.970 2.360 7.740 1.00 0.00 C ATOM 529 CD GLU A 69 -13.490 0.950 7.410 1.00 0.00 C ATOM 530 OE1 GLU A 69 -12.510 0.510 8.050 1.00 0.00 O ATOM 531 OE2 GLU A 69 -14.060 0.370 6.460 1.00 0.00 O ATOM 0 H GLU A 69 -10.830 2.840 5.863 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.684 2.875 5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.935 3.129 7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.162 4.380 7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.155 2.448 8.811 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.916 2.558 7.236 1.00 0.00 H new ATOM 532 N ALA A 70 -13.440 4.850 3.930 1.00 0.00 N ATOM 533 CA ALA A 70 -13.780 5.980 3.050 1.00 0.00 C ATOM 534 C ALA A 70 -12.950 7.270 3.220 1.00 0.00 C ATOM 535 O ALA A 70 -13.470 8.380 3.280 1.00 0.00 O ATOM 536 CB ALA A 70 -15.300 6.220 3.060 1.00 0.00 C ATOM 0 H ALA A 70 -13.509 3.962 3.433 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.474 5.667 2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.540 7.058 2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.812 5.325 2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.626 6.447 4.075 1.00 0.00 H new