USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 163 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 53 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-2.8) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 46 THR OG1 : rot 122:sc= 0.78 USER MOD Set 2.2: A 52 TYR OH : rot -128:sc= -0.34 USER MOD Set 2.3: A 80 TYR OH : rot 78:sc= 0.0277 USER MOD Set 3.1: A 32 GLN : amide:sc= -0.513 K(o=-2.7,f=-7!) USER MOD Set 3.2: A 56 THR OG1 : rot 180:sc= -2.16! USER MOD Single : A 1 ASP N :NH3+ -128:sc= -0.962! (180deg=-1.7) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 18 THR OG1 : rot -130:sc= -1.79! USER MOD Single : A 20 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.3) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -48:sc= 0.00472 USER MOD Single : A 38 GLN : amide:sc= -0.415 K(o=-0.41,f=0.088) USER MOD Single : A 39 ASN : amide:sc= -3.63! C(o=-3.6!,f=-10!) USER MOD Single : A 42 SER OG : rot -48:sc= 0.353 USER MOD Single : A 47 GLN : amide:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 18:sc= -1.87! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 67 THR OG1 : rot 113:sc= 0.767 USER MOD Single : A 72 THR OG1 : rot -136:sc= 0.00313 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0634 K(o=-0.063,f=-1.1) USER MOD Single : A 81 TYR OH : rot -147:sc= -0.323 USER MOD Single : A 82 THR OG1 : rot 63:sc= 0.246 USER MOD Single : A 85 HIS : no HE2:sc= -0.667 K(o=-0.67,f=-4.3!) USER MOD Single : A 86 TYR OH : rot -91:sc= 0.3 USER MOD Single : A 88 THR OG1 : rot 83:sc= 0.192 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0592 X(o=-0.059,f=-0.2) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.220 0.050 -0.050 1.00 0.00 N ATOM 2 CA ASP A 1 2.090 0.140 -1.240 1.00 0.00 C ATOM 3 C ASP A 1 3.600 0.040 -0.940 1.00 0.00 C ATOM 4 O ASP A 1 4.090 0.440 0.120 1.00 0.00 O ATOM 5 CB ASP A 1 1.770 1.370 -2.080 1.00 0.00 C ATOM 6 CG ASP A 1 1.560 2.610 -1.210 1.00 0.00 C ATOM 7 OD1 ASP A 1 2.580 3.230 -0.840 1.00 0.00 O ATOM 8 OD2 ASP A 1 0.370 2.890 -0.930 1.00 0.00 O ATOM 0 H1 ASP A 1 0.494 -0.679 -0.205 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.793 -0.203 0.780 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.759 0.968 0.114 1.00 0.00 H new ATOM 0 HA ASP A 1 1.856 -0.749 -1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 1 2.583 1.552 -2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 1 0.873 1.184 -2.671 1.00 0.00 H new ATOM 12 N VAL A 2 4.320 -0.490 -1.910 1.00 0.00 N ATOM 13 CA VAL A 2 5.780 -0.630 -1.790 1.00 0.00 C ATOM 14 C VAL A 2 6.420 0.590 -2.460 1.00 0.00 C ATOM 15 O VAL A 2 6.010 0.990 -3.540 1.00 0.00 O ATOM 16 CB VAL A 2 6.220 -1.950 -2.430 1.00 0.00 C ATOM 17 CG1 VAL A 2 7.700 -2.240 -2.280 1.00 0.00 C ATOM 18 CG2 VAL A 2 5.590 -3.090 -1.670 1.00 0.00 C ATOM 0 H VAL A 2 3.932 -0.832 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 2 6.099 -0.663 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 2 5.941 -1.862 -3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.935 -3.191 -2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.276 -1.444 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.955 -2.294 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.895 -4.037 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.914 -3.057 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.505 -3.001 -1.715 1.00 0.00 H new ATOM 20 N SER A 3 7.510 1.050 -1.850 1.00 0.00 N ATOM 21 CA SER A 3 8.320 2.160 -2.390 1.00 0.00 C ATOM 22 C SER A 3 9.240 1.720 -3.550 1.00 0.00 C ATOM 23 O SER A 3 10.050 2.490 -4.040 1.00 0.00 O ATOM 24 CB SER A 3 9.150 2.800 -1.280 1.00 0.00 C ATOM 25 OG SER A 3 8.290 3.250 -0.230 1.00 0.00 O ATOM 0 H SER A 3 7.863 0.672 -0.971 1.00 0.00 H new ATOM 0 HA SER A 3 7.620 2.891 -2.795 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.869 2.080 -0.890 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.722 3.638 -1.678 1.00 0.00 H new ATOM 0 HG SER A 3 8.827 3.658 0.481 1.00 0.00 H new ATOM 28 N GLY A 4 9.070 0.460 -3.950 1.00 0.00 N ATOM 29 CA GLY A 4 9.840 -0.180 -5.030 1.00 0.00 C ATOM 30 C GLY A 4 10.580 -1.400 -4.480 1.00 0.00 C ATOM 31 O GLY A 4 10.390 -1.820 -3.350 1.00 0.00 O ATOM 0 H GLY A 4 8.381 -0.162 -3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.172 -0.481 -5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.552 0.529 -5.453 1.00 0.00 H new ATOM 33 N THR A 5 11.350 -2.020 -5.350 1.00 0.00 N ATOM 34 CA THR A 5 12.110 -3.240 -5.010 1.00 0.00 C ATOM 35 C THR A 5 13.510 -2.840 -4.500 1.00 0.00 C ATOM 36 O THR A 5 13.870 -1.670 -4.420 1.00 0.00 O ATOM 37 CB THR A 5 12.140 -4.120 -6.270 1.00 0.00 C ATOM 38 OG1 THR A 5 10.840 -4.100 -6.870 1.00 0.00 O ATOM 39 CG2 THR A 5 12.450 -5.590 -5.980 1.00 0.00 C ATOM 0 H THR A 5 11.477 -1.707 -6.312 1.00 0.00 H new ATOM 0 HA THR A 5 11.649 -3.813 -4.206 1.00 0.00 H new ATOM 0 HB THR A 5 12.925 -3.715 -6.909 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.844 -4.656 -7.677 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.455 -6.152 -6.914 1.00 0.00 H new ATOM 0 HG22 THR A 5 13.427 -5.669 -5.504 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.689 -5.998 -5.315 1.00 0.00 H new ATOM 42 N VAL A 6 14.240 -3.840 -4.040 1.00 0.00 N ATOM 43 CA VAL A 6 15.560 -3.660 -3.430 1.00 0.00 C ATOM 44 C VAL A 6 16.450 -4.800 -3.930 1.00 0.00 C ATOM 45 O VAL A 6 16.110 -5.980 -3.870 1.00 0.00 O ATOM 46 CB VAL A 6 15.430 -3.550 -1.890 1.00 0.00 C ATOM 47 CG1 VAL A 6 15.440 -4.870 -1.120 1.00 0.00 C ATOM 48 CG2 VAL A 6 16.530 -2.650 -1.350 1.00 0.00 C ATOM 0 H VAL A 6 13.936 -4.813 -4.076 1.00 0.00 H new ATOM 0 HA VAL A 6 16.034 -2.724 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 6 14.437 -3.132 -1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 6 15.343 -4.670 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.606 -5.490 -1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.378 -5.393 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 6 16.438 -2.573 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.503 -3.073 -1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.439 -1.658 -1.793 1.00 0.00 H new ATOM 50 N CYS A 7 17.420 -4.360 -4.720 1.00 0.00 N ATOM 51 CA CYS A 7 18.430 -5.280 -5.240 1.00 0.00 C ATOM 52 C CYS A 7 19.010 -6.110 -4.090 1.00 0.00 C ATOM 53 O CYS A 7 19.360 -5.580 -3.040 1.00 0.00 O ATOM 54 CB CYS A 7 19.530 -4.490 -5.950 1.00 0.00 C ATOM 55 SG CYS A 7 18.870 -3.560 -7.380 1.00 0.00 S ATOM 0 H CYS A 7 17.531 -3.389 -5.013 1.00 0.00 H new ATOM 0 HA CYS A 7 17.973 -5.958 -5.961 1.00 0.00 H new ATOM 0 HB2 CYS A 7 19.994 -3.798 -5.247 1.00 0.00 H new ATOM 0 HB3 CYS A 7 20.310 -5.173 -6.287 1.00 0.00 H new ATOM 57 N LEU A 8 18.940 -7.430 -4.240 1.00 0.00 N ATOM 58 CA LEU A 8 19.550 -8.390 -3.310 1.00 0.00 C ATOM 59 C LEU A 8 21.030 -8.070 -3.030 1.00 0.00 C ATOM 60 O LEU A 8 21.440 -8.130 -1.880 1.00 0.00 O ATOM 61 CB LEU A 8 19.470 -9.820 -3.840 1.00 0.00 C ATOM 62 CG LEU A 8 18.960 -10.870 -2.840 1.00 0.00 C ATOM 63 CD1 LEU A 8 19.720 -12.170 -3.130 1.00 0.00 C ATOM 64 CD2 LEU A 8 19.130 -10.540 -1.350 1.00 0.00 C ATOM 0 H LEU A 8 18.453 -7.874 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 8 18.979 -8.303 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.818 -9.829 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.462 -10.119 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 8 17.882 -10.928 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.389 -12.947 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 8 19.523 -12.486 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 8 20.789 -12.003 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 8 18.732 -11.357 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 8 20.188 -10.406 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 8 18.591 -9.622 -1.117 1.00 0.00 H new ATOM 66 N SER A 9 21.750 -7.570 -4.050 1.00 0.00 N ATOM 67 CA SER A 9 23.140 -7.090 -3.880 1.00 0.00 C ATOM 68 C SER A 9 23.220 -5.870 -2.930 1.00 0.00 C ATOM 69 O SER A 9 24.170 -5.720 -2.170 1.00 0.00 O ATOM 70 CB SER A 9 23.760 -6.730 -5.230 1.00 0.00 C ATOM 71 OG SER A 9 25.110 -6.290 -5.030 1.00 0.00 O ATOM 0 H SER A 9 21.395 -7.486 -5.003 1.00 0.00 H new ATOM 0 HA SER A 9 23.703 -7.908 -3.430 1.00 0.00 H new ATOM 0 HB2 SER A 9 23.742 -7.595 -5.893 1.00 0.00 H new ATOM 0 HB3 SER A 9 23.178 -5.945 -5.713 1.00 0.00 H new ATOM 0 HG SER A 9 25.511 -6.060 -5.894 1.00 0.00 H new ATOM 74 N ALA A 10 22.160 -5.070 -2.930 1.00 0.00 N ATOM 75 CA ALA A 10 22.000 -3.920 -2.010 1.00 0.00 C ATOM 76 C ALA A 10 21.610 -4.370 -0.590 1.00 0.00 C ATOM 77 O ALA A 10 21.720 -3.610 0.370 1.00 0.00 O ATOM 78 CB ALA A 10 20.930 -2.980 -2.580 1.00 0.00 C ATOM 0 H ALA A 10 21.374 -5.191 -3.569 1.00 0.00 H new ATOM 0 HA ALA A 10 22.956 -3.403 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 10 20.801 -2.128 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 10 21.242 -2.627 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 10 19.985 -3.516 -2.670 1.00 0.00 H new ATOM 80 N LEU A 11 21.130 -5.600 -0.480 1.00 0.00 N ATOM 81 CA LEU A 11 20.770 -6.220 0.800 1.00 0.00 C ATOM 82 C LEU A 11 21.930 -6.980 1.460 1.00 0.00 C ATOM 83 O LEU A 11 22.950 -7.220 0.810 1.00 0.00 O ATOM 84 CB LEU A 11 19.570 -7.120 0.560 1.00 0.00 C ATOM 85 CG LEU A 11 18.250 -6.370 0.590 1.00 0.00 C ATOM 86 CD1 LEU A 11 17.210 -7.460 0.780 1.00 0.00 C ATOM 87 CD2 LEU A 11 18.070 -5.390 1.770 1.00 0.00 C ATOM 0 H LEU A 11 20.975 -6.209 -1.284 1.00 0.00 H new ATOM 0 HA LEU A 11 20.520 -5.433 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 11 19.680 -7.613 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 11 19.553 -7.904 1.317 1.00 0.00 H new ATOM 0 HG LEU A 11 18.179 -5.768 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 11 16.216 -7.013 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.263 -8.163 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.403 -7.988 1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 11 17.095 -4.907 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.134 -5.937 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.853 -4.633 1.737 1.00 0.00 H new ATOM 89 N PRO A 12 21.830 -7.270 2.770 1.00 0.00 N ATOM 90 CA PRO A 12 22.890 -7.980 3.510 1.00 0.00 C ATOM 91 C PRO A 12 23.060 -9.450 3.060 1.00 0.00 C ATOM 92 O PRO A 12 22.190 -9.970 2.370 1.00 0.00 O ATOM 93 CB PRO A 12 22.480 -7.800 4.980 1.00 0.00 C ATOM 94 CG PRO A 12 20.970 -7.680 4.970 1.00 0.00 C ATOM 95 CD PRO A 12 20.720 -6.910 3.690 1.00 0.00 C ATOM 0 HA PRO A 12 23.886 -7.580 3.323 1.00 0.00 H new ATOM 0 HB2 PRO A 12 22.802 -8.649 5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 12 22.941 -6.911 5.409 1.00 0.00 H new ATOM 0 HG2 PRO A 12 20.484 -8.656 4.960 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.598 -7.147 5.845 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.755 -7.174 3.258 1.00 0.00 H new ATOM 0 HD3 PRO A 12 20.702 -5.836 3.878 1.00 0.00 H new ATOM 96 N PRO A 13 24.130 -10.150 3.500 1.00 0.00 N ATOM 97 CA PRO A 13 24.320 -11.580 3.200 1.00 0.00 C ATOM 98 C PRO A 13 23.280 -12.480 3.880 1.00 0.00 C ATOM 99 O PRO A 13 23.000 -13.600 3.440 1.00 0.00 O ATOM 100 CB PRO A 13 25.740 -11.900 3.650 1.00 0.00 C ATOM 101 CG PRO A 13 26.000 -10.900 4.780 1.00 0.00 C ATOM 102 CD PRO A 13 25.240 -9.650 4.340 1.00 0.00 C ATOM 0 HA PRO A 13 24.179 -11.776 2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 13 25.827 -12.929 3.999 1.00 0.00 H new ATOM 0 HB3 PRO A 13 26.455 -11.778 2.836 1.00 0.00 H new ATOM 0 HG2 PRO A 13 25.636 -11.274 5.737 1.00 0.00 H new ATOM 0 HG3 PRO A 13 27.065 -10.700 4.900 1.00 0.00 H new ATOM 0 HD2 PRO A 13 24.865 -9.094 5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 13 25.885 -8.973 3.779 1.00 0.00 H new ATOM 103 N GLU A 14 22.620 -11.930 4.900 1.00 0.00 N ATOM 104 CA GLU A 14 21.530 -12.620 5.590 1.00 0.00 C ATOM 105 C GLU A 14 20.170 -12.440 4.900 1.00 0.00 C ATOM 106 O GLU A 14 19.310 -13.310 5.010 1.00 0.00 O ATOM 107 CB GLU A 14 21.460 -12.170 7.050 1.00 0.00 C ATOM 108 CG GLU A 14 20.420 -13.040 7.740 1.00 0.00 C ATOM 109 CD GLU A 14 20.940 -14.390 8.240 1.00 0.00 C ATOM 110 OE1 GLU A 14 22.170 -14.540 8.400 1.00 0.00 O ATOM 111 OE2 GLU A 14 20.060 -15.190 8.610 1.00 0.00 O ATOM 0 H GLU A 14 22.824 -11.001 5.269 1.00 0.00 H new ATOM 0 HA GLU A 14 21.755 -13.686 5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 14 22.432 -12.276 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 14 21.185 -11.117 7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.010 -12.489 8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 14 19.598 -13.218 7.047 1.00 0.00 H new ATOM 113 N ALA A 15 20.000 -11.360 4.150 1.00 0.00 N ATOM 114 CA ALA A 15 18.770 -11.130 3.370 1.00 0.00 C ATOM 115 C ALA A 15 18.340 -12.340 2.530 1.00 0.00 C ATOM 116 O ALA A 15 17.200 -12.810 2.630 1.00 0.00 O ATOM 117 CB ALA A 15 18.950 -9.910 2.490 1.00 0.00 C ATOM 0 H ALA A 15 20.696 -10.620 4.059 1.00 0.00 H new ATOM 0 HA ALA A 15 17.966 -10.964 4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.041 -9.740 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 15 19.153 -9.039 3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 15 19.786 -10.072 1.810 1.00 0.00 H new ATOM 119 N THR A 16 19.360 -13.020 2.000 1.00 0.00 N ATOM 120 CA THR A 16 19.200 -14.290 1.270 1.00 0.00 C ATOM 121 C THR A 16 18.860 -15.470 2.190 1.00 0.00 C ATOM 122 O THR A 16 18.150 -16.380 1.780 1.00 0.00 O ATOM 123 CB THR A 16 20.420 -14.540 0.360 1.00 0.00 C ATOM 124 OG1 THR A 16 19.900 -14.670 -0.960 1.00 0.00 O ATOM 125 CG2 THR A 16 21.320 -15.740 0.690 1.00 0.00 C ATOM 0 H THR A 16 20.329 -12.706 2.063 1.00 0.00 H new ATOM 0 HA THR A 16 18.329 -14.201 0.621 1.00 0.00 H new ATOM 0 HB THR A 16 21.096 -13.697 0.504 1.00 0.00 H new ATOM 0 HG1 THR A 16 20.636 -14.830 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A 16 22.135 -15.792 -0.031 1.00 0.00 H new ATOM 0 HG22 THR A 16 21.730 -15.622 1.693 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.734 -16.658 0.643 1.00 0.00 H new ATOM 128 N ASP A 17 19.420 -15.470 3.400 1.00 0.00 N ATOM 129 CA ASP A 17 19.210 -16.530 4.410 1.00 0.00 C ATOM 130 C ASP A 17 17.710 -16.720 4.660 1.00 0.00 C ATOM 131 O ASP A 17 17.200 -17.790 4.370 1.00 0.00 O ATOM 132 CB ASP A 17 19.880 -16.140 5.720 1.00 0.00 C ATOM 133 CG ASP A 17 20.100 -17.310 6.680 1.00 0.00 C ATOM 134 OD1 ASP A 17 19.160 -17.640 7.430 1.00 0.00 O ATOM 135 OD2 ASP A 17 21.260 -17.770 6.680 1.00 0.00 O ATOM 0 H ASP A 17 20.042 -14.727 3.719 1.00 0.00 H new ATOM 0 HA ASP A 17 19.644 -17.458 4.037 1.00 0.00 H new ATOM 0 HB2 ASP A 17 20.843 -15.678 5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.270 -15.385 6.217 1.00 0.00 H new ATOM 137 N THR A 18 17.000 -15.630 4.980 1.00 0.00 N ATOM 138 CA THR A 18 15.540 -15.700 5.140 1.00 0.00 C ATOM 139 C THR A 18 14.820 -16.170 3.880 1.00 0.00 C ATOM 140 O THR A 18 14.030 -17.100 3.950 1.00 0.00 O ATOM 141 CB THR A 18 15.010 -14.380 5.670 1.00 0.00 C ATOM 142 OG1 THR A 18 15.410 -14.270 7.030 1.00 0.00 O ATOM 143 CG2 THR A 18 13.500 -14.220 5.570 1.00 0.00 C ATOM 0 H THR A 18 17.403 -14.705 5.131 1.00 0.00 H new ATOM 0 HA THR A 18 15.323 -16.470 5.880 1.00 0.00 H new ATOM 0 HB THR A 18 15.427 -13.589 5.046 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.634 -14.037 7.581 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.210 -13.249 5.971 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.195 -14.287 4.526 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.012 -15.009 6.142 1.00 0.00 H new ATOM 146 N LEU A 19 15.160 -15.580 2.740 1.00 0.00 N ATOM 147 CA LEU A 19 14.580 -16.010 1.450 1.00 0.00 C ATOM 148 C LEU A 19 14.800 -17.490 1.140 1.00 0.00 C ATOM 149 O LEU A 19 13.890 -18.160 0.670 1.00 0.00 O ATOM 150 CB LEU A 19 15.120 -15.140 0.310 1.00 0.00 C ATOM 151 CG LEU A 19 14.870 -13.640 0.470 1.00 0.00 C ATOM 152 CD1 LEU A 19 14.850 -13.100 -0.960 1.00 0.00 C ATOM 153 CD2 LEU A 19 13.550 -13.250 1.160 1.00 0.00 C ATOM 0 H LEU A 19 15.826 -14.810 2.670 1.00 0.00 H new ATOM 0 HA LEU A 19 13.502 -15.877 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.194 -15.307 0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 19 14.668 -15.471 -0.625 1.00 0.00 H new ATOM 0 HG LEU A 19 15.644 -13.230 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 19 14.675 -12.024 -0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 19 15.808 -13.303 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 19 14.053 -13.587 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.478 -12.164 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.710 -13.639 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.527 -13.671 2.165 1.00 0.00 H new ATOM 155 N ASN A 20 15.900 -18.010 1.680 1.00 0.00 N ATOM 156 CA ASN A 20 16.240 -19.440 1.620 1.00 0.00 C ATOM 157 C ASN A 20 15.360 -20.240 2.560 1.00 0.00 C ATOM 158 O ASN A 20 14.820 -21.260 2.170 1.00 0.00 O ATOM 159 CB ASN A 20 17.680 -19.640 2.070 1.00 0.00 C ATOM 160 CG ASN A 20 18.460 -20.460 1.060 1.00 0.00 C ATOM 161 OD1 ASN A 20 17.970 -21.360 0.400 1.00 0.00 O ATOM 162 ND2 ASN A 20 19.720 -20.110 0.940 1.00 0.00 N ATOM 0 H ASN A 20 16.591 -17.449 2.178 1.00 0.00 H new ATOM 0 HA ASN A 20 16.096 -19.776 0.593 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.160 -18.671 2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.695 -20.140 3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.324 -20.597 0.277 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.095 -19.351 1.510 1.00 0.00 H new ATOM 166 N LEU A 21 15.110 -19.700 3.730 1.00 0.00 N ATOM 167 CA LEU A 21 14.220 -20.320 4.700 1.00 0.00 C ATOM 168 C LEU A 21 12.760 -20.270 4.220 1.00 0.00 C ATOM 169 O LEU A 21 12.000 -21.170 4.530 1.00 0.00 O ATOM 170 CB LEU A 21 14.380 -19.520 5.980 1.00 0.00 C ATOM 171 CG LEU A 21 15.770 -19.330 6.570 1.00 0.00 C ATOM 172 CD1 LEU A 21 15.730 -18.210 7.610 1.00 0.00 C ATOM 173 CD2 LEU A 21 16.330 -20.620 7.140 1.00 0.00 C ATOM 0 H LEU A 21 15.515 -18.818 4.042 1.00 0.00 H new ATOM 0 HA LEU A 21 14.468 -21.372 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.961 -18.529 5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 21 13.762 -19.995 6.742 1.00 0.00 H new ATOM 0 HG LEU A 21 16.452 -19.040 5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 21 16.724 -18.072 8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 21 15.406 -17.284 7.135 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.031 -18.475 8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 21 17.323 -20.436 7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.673 -20.984 7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.396 -21.368 6.350 1.00 0.00 H new ATOM 175 N ILE A 22 12.340 -19.260 3.460 1.00 0.00 N ATOM 176 CA ILE A 22 11.010 -19.250 2.820 1.00 0.00 C ATOM 177 C ILE A 22 10.920 -20.290 1.690 1.00 0.00 C ATOM 178 O ILE A 22 9.880 -20.920 1.510 1.00 0.00 O ATOM 179 CB ILE A 22 10.670 -17.820 2.340 1.00 0.00 C ATOM 180 CG1 ILE A 22 10.290 -17.030 3.570 1.00 0.00 C ATOM 181 CG2 ILE A 22 9.540 -17.710 1.300 1.00 0.00 C ATOM 182 CD1 ILE A 22 11.300 -15.910 3.790 1.00 0.00 C ATOM 0 H ILE A 22 12.900 -18.430 3.267 1.00 0.00 H new ATOM 0 HA ILE A 22 10.261 -19.541 3.556 1.00 0.00 H new ATOM 0 HB ILE A 22 11.551 -17.440 1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.290 -16.613 3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.262 -17.685 4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.388 -16.663 1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.811 -18.273 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.619 -18.116 1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.024 -15.341 4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.293 -16.337 3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.306 -15.250 2.923 1.00 0.00 H new ATOM 184 N ALA A 23 12.020 -20.420 0.950 1.00 0.00 N ATOM 185 CA ALA A 23 12.130 -21.350 -0.180 1.00 0.00 C ATOM 186 C ALA A 23 12.270 -22.810 0.290 1.00 0.00 C ATOM 187 O ALA A 23 11.470 -23.670 -0.070 1.00 0.00 O ATOM 188 CB ALA A 23 13.310 -20.950 -1.060 1.00 0.00 C ATOM 0 H ALA A 23 12.869 -19.880 1.117 1.00 0.00 H new ATOM 0 HA ALA A 23 11.210 -21.289 -0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.390 -21.642 -1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.156 -19.939 -1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 23 14.228 -20.983 -0.474 1.00 0.00 H new ATOM 190 N SER A 24 13.170 -23.020 1.250 1.00 0.00 N ATOM 191 CA SER A 24 13.420 -24.310 1.920 1.00 0.00 C ATOM 192 C SER A 24 12.480 -24.550 3.110 1.00 0.00 C ATOM 193 O SER A 24 12.670 -25.510 3.860 1.00 0.00 O ATOM 194 CB SER A 24 14.860 -24.420 2.420 1.00 0.00 C ATOM 195 OG SER A 24 15.710 -24.940 1.400 1.00 0.00 O ATOM 0 H SER A 24 13.771 -22.274 1.600 1.00 0.00 H new ATOM 0 HA SER A 24 13.232 -25.068 1.160 1.00 0.00 H new ATOM 0 HB2 SER A 24 15.217 -23.439 2.733 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.897 -25.067 3.296 1.00 0.00 H new ATOM 0 HG SER A 24 16.628 -25.001 1.739 1.00 0.00 H new ATOM 198 N ASP A 25 11.470 -23.680 3.280 1.00 0.00 N ATOM 199 CA ASP A 25 10.490 -23.750 4.390 1.00 0.00 C ATOM 200 C ASP A 25 11.150 -24.100 5.740 1.00 0.00 C ATOM 201 O ASP A 25 10.750 -25.020 6.460 1.00 0.00 O ATOM 202 CB ASP A 25 9.350 -24.700 4.000 1.00 0.00 C ATOM 203 CG ASP A 25 9.770 -26.170 3.960 1.00 0.00 C ATOM 204 OD1 ASP A 25 10.360 -26.580 2.930 1.00 0.00 O ATOM 205 OD2 ASP A 25 9.420 -26.880 4.930 1.00 0.00 O ATOM 0 H ASP A 25 11.305 -22.898 2.646 1.00 0.00 H new ATOM 0 HA ASP A 25 10.061 -22.760 4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.531 -24.583 4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.967 -24.413 3.021 1.00 0.00 H new ATOM 207 N GLY A 26 12.250 -23.400 6.000 1.00 0.00 N ATOM 208 CA GLY A 26 13.140 -23.670 7.130 1.00 0.00 C ATOM 209 C GLY A 26 14.190 -24.770 6.920 1.00 0.00 C ATOM 210 O GLY A 26 14.530 -25.070 5.780 1.00 0.00 O ATOM 0 H GLY A 26 12.555 -22.616 5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.659 -22.746 7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.528 -23.941 7.991 1.00 0.00 H new ATOM 212 N PRO A 27 14.790 -25.200 8.030 1.00 0.00 N ATOM 213 CA PRO A 27 14.540 -24.690 9.400 1.00 0.00 C ATOM 214 C PRO A 27 15.170 -23.310 9.610 1.00 0.00 C ATOM 215 O PRO A 27 16.180 -22.960 9.000 1.00 0.00 O ATOM 216 CB PRO A 27 15.140 -25.730 10.330 1.00 0.00 C ATOM 217 CG PRO A 27 16.260 -26.370 9.510 1.00 0.00 C ATOM 218 CD PRO A 27 15.810 -26.260 8.050 1.00 0.00 C ATOM 0 HA PRO A 27 13.476 -24.551 9.590 1.00 0.00 H new ATOM 0 HB2 PRO A 27 15.526 -25.273 11.241 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.397 -26.468 10.633 1.00 0.00 H new ATOM 0 HG2 PRO A 27 17.207 -25.854 9.669 1.00 0.00 H new ATOM 0 HG3 PRO A 27 16.412 -27.411 9.797 1.00 0.00 H new ATOM 0 HD2 PRO A 27 16.648 -26.010 7.399 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.400 -27.205 7.694 1.00 0.00 H new ATOM 219 N PHE A 28 14.420 -22.480 10.320 1.00 0.00 N ATOM 220 CA PHE A 28 14.810 -21.090 10.560 1.00 0.00 C ATOM 221 C PHE A 28 15.600 -20.940 11.870 1.00 0.00 C ATOM 222 O PHE A 28 15.310 -21.650 12.840 1.00 0.00 O ATOM 223 CB PHE A 28 13.580 -20.200 10.600 1.00 0.00 C ATOM 224 CG PHE A 28 12.720 -20.140 9.340 1.00 0.00 C ATOM 225 CD1 PHE A 28 11.890 -21.230 8.990 1.00 0.00 C ATOM 226 CD2 PHE A 28 12.630 -18.920 8.630 1.00 0.00 C ATOM 227 CE1 PHE A 28 11.010 -21.120 7.900 1.00 0.00 C ATOM 228 CE2 PHE A 28 11.730 -18.820 7.540 1.00 0.00 C ATOM 229 CZ PHE A 28 10.960 -19.930 7.150 1.00 0.00 C ATOM 0 H PHE A 28 13.531 -22.744 10.745 1.00 0.00 H new ATOM 0 HA PHE A 28 15.457 -20.784 9.738 1.00 0.00 H new ATOM 0 HB2 PHE A 28 12.949 -20.533 11.424 1.00 0.00 H new ATOM 0 HB3 PHE A 28 13.904 -19.186 10.836 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.932 -22.146 9.560 1.00 0.00 H new ATOM 0 HD2 PHE A 28 13.240 -18.075 8.915 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.371 -21.950 7.637 1.00 0.00 H new ATOM 0 HE2 PHE A 28 11.635 -17.886 7.006 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.330 -19.869 6.275 1.00 0.00 H new ATOM 231 N PRO A 29 16.610 -20.060 11.880 1.00 0.00 N ATOM 232 CA PRO A 29 17.480 -19.840 13.050 1.00 0.00 C ATOM 233 C PRO A 29 16.760 -19.040 14.140 1.00 0.00 C ATOM 234 O PRO A 29 16.470 -19.570 15.210 1.00 0.00 O ATOM 235 CB PRO A 29 18.740 -19.170 12.490 1.00 0.00 C ATOM 236 CG PRO A 29 18.300 -18.500 11.190 1.00 0.00 C ATOM 237 CD PRO A 29 17.070 -19.260 10.720 1.00 0.00 C ATOM 0 HA PRO A 29 17.752 -20.764 13.560 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.141 -18.439 13.192 1.00 0.00 H new ATOM 0 HB3 PRO A 29 19.526 -19.902 12.308 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.069 -17.447 11.353 1.00 0.00 H new ATOM 0 HG3 PRO A 29 19.093 -18.541 10.443 1.00 0.00 H new ATOM 0 HD2 PRO A 29 16.292 -18.573 10.388 1.00 0.00 H new ATOM 0 HD3 PRO A 29 17.310 -19.904 9.874 1.00 0.00 H new ATOM 238 N TYR A 30 16.440 -17.790 13.820 1.00 0.00 N ATOM 239 CA TYR A 30 15.660 -16.910 14.710 1.00 0.00 C ATOM 240 C TYR A 30 14.300 -17.510 15.070 1.00 0.00 C ATOM 241 O TYR A 30 13.780 -18.390 14.390 1.00 0.00 O ATOM 242 CB TYR A 30 15.490 -15.540 14.040 1.00 0.00 C ATOM 243 CG TYR A 30 16.480 -14.490 14.560 1.00 0.00 C ATOM 244 CD1 TYR A 30 17.690 -14.840 15.200 1.00 0.00 C ATOM 245 CD2 TYR A 30 16.160 -13.130 14.330 1.00 0.00 C ATOM 246 CE1 TYR A 30 18.590 -13.840 15.600 1.00 0.00 C ATOM 247 CE2 TYR A 30 17.060 -12.120 14.710 1.00 0.00 C ATOM 248 CZ TYR A 30 18.270 -12.490 15.330 1.00 0.00 C ATOM 249 OH TYR A 30 19.210 -11.530 15.550 1.00 0.00 O ATOM 0 H TYR A 30 16.710 -17.351 12.940 1.00 0.00 H new ATOM 0 HA TYR A 30 16.208 -16.798 15.646 1.00 0.00 H new ATOM 0 HB2 TYR A 30 15.618 -15.650 12.963 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.473 -15.185 14.205 1.00 0.00 H new ATOM 0 HD1 TYR A 30 17.923 -15.879 15.382 1.00 0.00 H new ATOM 0 HD2 TYR A 30 15.223 -12.869 13.862 1.00 0.00 H new ATOM 0 HE1 TYR A 30 19.510 -14.097 16.105 1.00 0.00 H new ATOM 0 HE2 TYR A 30 16.829 -11.080 14.530 1.00 0.00 H new ATOM 0 HH TYR A 30 18.842 -10.652 15.317 1.00 0.00 H new ATOM 252 N SER A 31 13.710 -16.950 16.130 1.00 0.00 N ATOM 253 CA SER A 31 12.360 -17.350 16.570 1.00 0.00 C ATOM 254 C SER A 31 11.250 -16.650 15.760 1.00 0.00 C ATOM 255 O SER A 31 10.060 -16.720 16.050 1.00 0.00 O ATOM 256 CB SER A 31 12.220 -17.060 18.060 1.00 0.00 C ATOM 257 OG SER A 31 11.230 -17.930 18.620 1.00 0.00 O ATOM 0 H SER A 31 14.139 -16.221 16.700 1.00 0.00 H new ATOM 0 HA SER A 31 12.239 -18.418 16.390 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.176 -17.207 18.562 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.936 -16.019 18.215 1.00 0.00 H new ATOM 0 HG SER A 31 10.431 -17.924 18.053 1.00 0.00 H new ATOM 260 N GLN A 32 11.670 -15.970 14.690 1.00 0.00 N ATOM 261 CA GLN A 32 10.780 -15.190 13.820 1.00 0.00 C ATOM 262 C GLN A 32 10.650 -15.800 12.430 1.00 0.00 C ATOM 263 O GLN A 32 11.560 -15.700 11.600 1.00 0.00 O ATOM 264 CB GLN A 32 11.280 -13.760 13.700 1.00 0.00 C ATOM 265 CG GLN A 32 10.210 -12.850 14.280 1.00 0.00 C ATOM 266 CD GLN A 32 9.850 -11.690 13.360 1.00 0.00 C ATOM 267 OE1 GLN A 32 9.820 -11.790 12.140 1.00 0.00 O ATOM 268 NE2 GLN A 32 9.420 -10.610 13.980 1.00 0.00 N ATOM 0 H GLN A 32 12.647 -15.944 14.399 1.00 0.00 H new ATOM 0 HA GLN A 32 9.793 -15.201 14.283 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.220 -13.637 14.237 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.473 -13.508 12.657 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.314 -13.436 14.483 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.556 -12.455 15.235 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.458 -10.557 14.998 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.049 -9.827 13.442 1.00 0.00 H new ATOM 272 N ASP A 33 9.530 -16.510 12.300 1.00 0.00 N ATOM 273 CA ASP A 33 9.180 -17.340 11.140 1.00 0.00 C ATOM 274 C ASP A 33 8.010 -18.300 11.350 1.00 0.00 C ATOM 275 O ASP A 33 8.000 -19.060 12.320 1.00 0.00 O ATOM 276 CB ASP A 33 10.330 -18.240 10.720 1.00 0.00 C ATOM 277 CG ASP A 33 11.080 -18.920 11.870 1.00 0.00 C ATOM 278 OD1 ASP A 33 12.050 -18.300 12.350 1.00 0.00 O ATOM 279 OD2 ASP A 33 10.780 -20.110 12.100 1.00 0.00 O ATOM 0 H ASP A 33 8.812 -16.526 13.025 1.00 0.00 H new ATOM 0 HA ASP A 33 8.917 -16.589 10.395 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.942 -19.011 10.054 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.041 -17.649 10.143 1.00 0.00 H new ATOM 281 N GLY A 34 7.200 -18.390 10.300 1.00 0.00 N ATOM 282 CA GLY A 34 6.020 -19.270 10.270 1.00 0.00 C ATOM 283 C GLY A 34 4.790 -18.570 10.870 1.00 0.00 C ATOM 284 O GLY A 34 3.920 -19.190 11.470 1.00 0.00 O ATOM 0 H GLY A 34 7.337 -17.857 9.441 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.809 -19.565 9.242 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.230 -20.183 10.827 1.00 0.00 H new ATOM 286 N VAL A 35 4.780 -17.250 10.710 1.00 0.00 N ATOM 287 CA VAL A 35 3.690 -16.380 11.170 1.00 0.00 C ATOM 288 C VAL A 35 3.130 -15.600 9.990 1.00 0.00 C ATOM 289 O VAL A 35 3.890 -15.230 9.100 1.00 0.00 O ATOM 290 CB VAL A 35 4.170 -15.430 12.290 1.00 0.00 C ATOM 291 CG1 VAL A 35 4.510 -16.210 13.560 1.00 0.00 C ATOM 292 CG2 VAL A 35 5.370 -14.560 11.900 1.00 0.00 C ATOM 0 H VAL A 35 5.537 -16.743 10.251 1.00 0.00 H new ATOM 0 HA VAL A 35 2.898 -16.999 11.591 1.00 0.00 H new ATOM 0 HB VAL A 35 3.331 -14.757 12.469 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.845 -15.518 14.333 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.625 -16.742 13.908 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.303 -16.927 13.346 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.645 -13.922 12.740 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.213 -15.199 11.638 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.106 -13.939 11.044 1.00 0.00 H new ATOM 294 N VAL A 36 1.830 -15.330 10.050 1.00 0.00 N ATOM 295 CA VAL A 36 1.090 -14.540 9.040 1.00 0.00 C ATOM 296 C VAL A 36 1.220 -13.040 9.360 1.00 0.00 C ATOM 297 O VAL A 36 1.470 -12.640 10.490 1.00 0.00 O ATOM 298 CB VAL A 36 -0.380 -15.030 8.950 1.00 0.00 C ATOM 299 CG1 VAL A 36 -1.390 -14.060 8.320 1.00 0.00 C ATOM 300 CG2 VAL A 36 -0.440 -16.330 8.150 1.00 0.00 C ATOM 0 H VAL A 36 1.238 -15.656 10.814 1.00 0.00 H new ATOM 0 HA VAL A 36 1.522 -14.689 8.050 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.678 -15.145 9.992 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.379 -14.517 8.315 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.420 -13.138 8.900 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.089 -13.835 7.297 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.473 -16.672 8.088 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.054 -16.157 7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.165 -17.090 8.645 1.00 0.00 H new ATOM 302 N PHE A 37 1.030 -12.250 8.310 1.00 0.00 N ATOM 303 CA PHE A 37 1.010 -10.790 8.440 1.00 0.00 C ATOM 304 C PHE A 37 -0.070 -10.200 7.520 1.00 0.00 C ATOM 305 O PHE A 37 0.270 -9.730 6.450 1.00 0.00 O ATOM 306 CB PHE A 37 2.410 -10.270 8.090 1.00 0.00 C ATOM 307 CG PHE A 37 2.490 -8.740 8.130 1.00 0.00 C ATOM 308 CD1 PHE A 37 2.070 -8.040 9.280 1.00 0.00 C ATOM 309 CD2 PHE A 37 2.960 -8.040 7.000 1.00 0.00 C ATOM 310 CE1 PHE A 37 2.140 -6.630 9.310 1.00 0.00 C ATOM 311 CE2 PHE A 37 3.060 -6.630 7.030 1.00 0.00 C ATOM 312 CZ PHE A 37 2.660 -5.940 8.200 1.00 0.00 C ATOM 0 H PHE A 37 0.887 -12.591 7.359 1.00 0.00 H new ATOM 0 HA PHE A 37 0.762 -10.487 9.457 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.135 -10.688 8.788 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.687 -10.620 7.096 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.695 -8.581 10.136 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.244 -8.582 6.110 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.797 -6.086 10.178 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.435 -6.088 6.175 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.756 -4.865 8.241 1.00 0.00 H new ATOM 314 N GLN A 38 -1.320 -10.110 7.970 1.00 0.00 N ATOM 315 CA GLN A 38 -2.410 -9.560 7.120 1.00 0.00 C ATOM 316 C GLN A 38 -2.310 -8.040 6.910 1.00 0.00 C ATOM 317 O GLN A 38 -3.180 -7.260 7.290 1.00 0.00 O ATOM 318 CB GLN A 38 -3.770 -9.930 7.710 1.00 0.00 C ATOM 319 CG GLN A 38 -4.880 -9.540 6.720 1.00 0.00 C ATOM 320 CD GLN A 38 -5.870 -8.490 7.220 1.00 0.00 C ATOM 321 OE1 GLN A 38 -6.320 -7.610 6.500 1.00 0.00 O ATOM 322 NE2 GLN A 38 -6.300 -8.610 8.460 1.00 0.00 N ATOM 0 H GLN A 38 -1.615 -10.402 8.902 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.299 -10.012 6.134 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.811 -11.000 7.916 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.918 -9.417 8.660 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.414 -9.169 5.807 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.435 -10.439 6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.925 -9.344 9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.008 -7.969 8.819 1.00 0.00 H new ATOM 326 N ASN A 39 -1.150 -7.630 6.410 1.00 0.00 N ATOM 327 CA ASN A 39 -0.700 -6.250 6.220 1.00 0.00 C ATOM 328 C ASN A 39 -1.350 -5.350 7.290 1.00 0.00 C ATOM 329 O ASN A 39 -2.120 -4.440 6.980 1.00 0.00 O ATOM 330 CB ASN A 39 -1.030 -5.860 4.780 1.00 0.00 C ATOM 331 CG ASN A 39 -0.550 -4.440 4.470 1.00 0.00 C ATOM 332 OD1 ASN A 39 0.350 -3.890 5.090 1.00 0.00 O ATOM 333 ND2 ASN A 39 -1.130 -3.870 3.440 1.00 0.00 N ATOM 0 H ASN A 39 -0.445 -8.301 6.103 1.00 0.00 H new ATOM 0 HA ASN A 39 0.375 -6.132 6.355 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.561 -6.564 4.093 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.106 -5.927 4.619 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.833 -2.943 3.136 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.878 -4.354 2.943 1.00 0.00 H new ATOM 337 N ARG A 40 -1.170 -5.760 8.540 1.00 0.00 N ATOM 338 CA ARG A 40 -1.810 -5.090 9.700 1.00 0.00 C ATOM 339 C ARG A 40 -1.410 -3.610 9.760 1.00 0.00 C ATOM 340 O ARG A 40 -2.140 -2.760 10.270 1.00 0.00 O ATOM 341 CB ARG A 40 -1.440 -5.760 11.030 1.00 0.00 C ATOM 342 CG ARG A 40 -1.850 -7.230 11.050 1.00 0.00 C ATOM 343 CD ARG A 40 -0.630 -8.130 11.180 1.00 0.00 C ATOM 344 NE ARG A 40 -0.130 -8.190 12.570 1.00 0.00 N ATOM 345 CZ ARG A 40 0.670 -9.130 13.070 1.00 0.00 C ATOM 346 NH1 ARG A 40 1.220 -10.060 12.300 1.00 0.00 N ATOM 347 NH2 ARG A 40 0.950 -9.150 14.360 1.00 0.00 N ATOM 0 H ARG A 40 -0.585 -6.557 8.792 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.887 -5.179 9.556 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.365 -5.679 11.193 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.927 -5.234 11.851 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.531 -7.411 11.882 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.391 -7.474 10.136 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.884 -9.135 10.843 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.161 -7.764 10.526 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.424 -7.445 13.202 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.034 -10.067 11.297 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.829 -10.768 12.711 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.553 -8.443 14.979 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.563 -9.872 14.738 1.00 0.00 H new ATOM 354 N GLU A 41 -0.270 -3.350 9.130 1.00 0.00 N ATOM 355 CA GLU A 41 0.250 -2.000 8.940 1.00 0.00 C ATOM 356 C GLU A 41 -0.340 -1.250 7.740 1.00 0.00 C ATOM 357 O GLU A 41 -0.060 -0.060 7.590 1.00 0.00 O ATOM 358 CB GLU A 41 1.760 -2.060 8.820 1.00 0.00 C ATOM 359 CG GLU A 41 2.320 -1.520 10.130 1.00 0.00 C ATOM 360 CD GLU A 41 3.810 -1.210 10.070 1.00 0.00 C ATOM 361 OE1 GLU A 41 4.500 -1.770 9.190 1.00 0.00 O ATOM 362 OE2 GLU A 41 4.220 -0.480 10.990 1.00 0.00 O ATOM 0 H GLU A 41 0.325 -4.077 8.733 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.056 -1.430 9.817 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.095 -3.083 8.647 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.106 -1.464 7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.779 -0.614 10.402 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.140 -2.248 10.921 1.00 0.00 H new ATOM 364 N SER A 42 -1.120 -1.930 6.900 1.00 0.00 N ATOM 365 CA SER A 42 -1.720 -1.380 5.670 1.00 0.00 C ATOM 366 C SER A 42 -0.710 -0.540 4.870 1.00 0.00 C ATOM 367 O SER A 42 -0.950 0.570 4.400 1.00 0.00 O ATOM 368 CB SER A 42 -3.000 -0.610 6.010 1.00 0.00 C ATOM 369 OG SER A 42 -3.620 -0.080 4.840 1.00 0.00 O ATOM 0 H SER A 42 -1.363 -2.908 7.055 1.00 0.00 H new ATOM 0 HA SER A 42 -1.999 -2.206 5.015 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.697 -1.271 6.524 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.765 0.202 6.698 1.00 0.00 H new ATOM 0 HG SER A 42 -2.948 0.375 4.291 1.00 0.00 H new ATOM 372 N VAL A 43 0.500 -1.080 4.810 1.00 0.00 N ATOM 373 CA VAL A 43 1.610 -0.390 4.110 1.00 0.00 C ATOM 374 C VAL A 43 1.960 -1.150 2.820 1.00 0.00 C ATOM 375 O VAL A 43 2.800 -0.740 2.040 1.00 0.00 O ATOM 376 CB VAL A 43 2.830 -0.170 5.030 1.00 0.00 C ATOM 377 CG1 VAL A 43 3.960 0.580 4.330 1.00 0.00 C ATOM 378 CG2 VAL A 43 2.490 0.720 6.220 1.00 0.00 C ATOM 0 H VAL A 43 0.750 -1.977 5.225 1.00 0.00 H new ATOM 0 HA VAL A 43 1.280 0.610 3.830 1.00 0.00 H new ATOM 0 HB VAL A 43 3.125 -1.177 5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.794 0.709 5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.292 0.010 3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.602 1.558 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.376 0.850 6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.152 1.693 5.862 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.699 0.255 6.808 1.00 0.00 H new ATOM 380 N LEU A 44 1.440 -2.360 2.680 1.00 0.00 N ATOM 381 CA LEU A 44 1.790 -3.210 1.540 1.00 0.00 C ATOM 382 C LEU A 44 0.660 -3.120 0.490 1.00 0.00 C ATOM 383 O LEU A 44 -0.480 -2.860 0.870 1.00 0.00 O ATOM 384 CB LEU A 44 1.960 -4.620 2.110 1.00 0.00 C ATOM 385 CG LEU A 44 3.170 -4.860 3.030 1.00 0.00 C ATOM 386 CD1 LEU A 44 4.280 -5.430 2.200 1.00 0.00 C ATOM 387 CD2 LEU A 44 3.810 -3.680 3.730 1.00 0.00 C ATOM 0 H LEU A 44 0.778 -2.778 3.334 1.00 0.00 H new ATOM 0 HA LEU A 44 2.708 -2.908 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.057 -4.872 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.026 -5.317 1.275 1.00 0.00 H new ATOM 0 HG LEU A 44 2.743 -5.489 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.151 -5.609 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.955 -6.370 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.543 -4.726 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.647 -4.027 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.171 -2.968 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.074 -3.194 4.371 1.00 0.00 H new ATOM 389 N PRO A 45 0.970 -3.240 -0.810 1.00 0.00 N ATOM 390 CA PRO A 45 -0.020 -3.050 -1.890 1.00 0.00 C ATOM 391 C PRO A 45 -0.910 -4.290 -2.050 1.00 0.00 C ATOM 392 O PRO A 45 -1.010 -4.880 -3.120 1.00 0.00 O ATOM 393 CB PRO A 45 0.830 -2.760 -3.130 1.00 0.00 C ATOM 394 CG PRO A 45 2.140 -3.510 -2.880 1.00 0.00 C ATOM 395 CD PRO A 45 2.290 -3.580 -1.360 1.00 0.00 C ATOM 0 HA PRO A 45 -0.721 -2.239 -1.691 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.339 -3.110 -4.038 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.002 -1.691 -3.252 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.110 -4.508 -3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.983 -2.989 -3.333 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.601 -4.576 -1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.051 -2.882 -1.010 1.00 0.00 H new ATOM 396 N THR A 46 -1.590 -4.610 -0.950 1.00 0.00 N ATOM 397 CA THR A 46 -2.470 -5.790 -0.850 1.00 0.00 C ATOM 398 C THR A 46 -3.480 -5.520 0.280 1.00 0.00 C ATOM 399 O THR A 46 -3.790 -4.360 0.550 1.00 0.00 O ATOM 400 CB THR A 46 -1.620 -7.060 -0.630 1.00 0.00 C ATOM 401 OG1 THR A 46 -0.420 -7.000 -1.400 1.00 0.00 O ATOM 402 CG2 THR A 46 -2.340 -8.330 -1.050 1.00 0.00 C ATOM 0 H THR A 46 -1.550 -4.058 -0.093 1.00 0.00 H new ATOM 0 HA THR A 46 -3.028 -5.964 -1.770 1.00 0.00 H new ATOM 0 HB THR A 46 -1.415 -7.092 0.440 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.355 -7.072 -0.804 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.694 -9.190 -0.872 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.256 -8.438 -0.469 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.587 -8.275 -2.110 1.00 0.00 H new ATOM 405 N GLN A 47 -3.890 -6.580 0.980 1.00 0.00 N ATOM 406 CA GLN A 47 -4.950 -6.580 2.020 1.00 0.00 C ATOM 407 C GLN A 47 -5.290 -8.010 2.460 1.00 0.00 C ATOM 408 O GLN A 47 -5.690 -8.230 3.600 1.00 0.00 O ATOM 409 CB GLN A 47 -6.220 -5.870 1.510 1.00 0.00 C ATOM 410 CG GLN A 47 -7.450 -6.080 2.400 1.00 0.00 C ATOM 411 CD GLN A 47 -8.400 -4.890 2.400 1.00 0.00 C ATOM 412 OE1 GLN A 47 -8.700 -4.240 1.410 1.00 0.00 O ATOM 413 NE2 GLN A 47 -8.910 -4.640 3.590 1.00 0.00 N ATOM 0 H GLN A 47 -3.483 -7.505 0.841 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.566 -6.034 2.882 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.020 -4.802 1.430 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.446 -6.228 0.505 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.988 -6.966 2.063 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.123 -6.275 3.421 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.634 -5.206 4.392 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.581 -3.881 3.708 1.00 0.00 H new ATOM 417 N SER A 48 -5.250 -8.930 1.500 1.00 0.00 N ATOM 418 CA SER A 48 -5.550 -10.360 1.740 1.00 0.00 C ATOM 419 C SER A 48 -4.960 -10.880 3.050 1.00 0.00 C ATOM 420 O SER A 48 -3.960 -10.390 3.580 1.00 0.00 O ATOM 421 CB SER A 48 -5.060 -11.210 0.560 1.00 0.00 C ATOM 422 OG SER A 48 -3.680 -10.940 0.320 1.00 0.00 O ATOM 0 H SER A 48 -5.010 -8.717 0.532 1.00 0.00 H new ATOM 0 HA SER A 48 -6.633 -10.445 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.202 -12.269 0.777 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.646 -10.986 -0.331 1.00 0.00 H new ATOM 0 HG SER A 48 -3.366 -11.484 -0.432 1.00 0.00 H new ATOM 425 N TYR A 49 -5.650 -11.890 3.570 1.00 0.00 N ATOM 426 CA TYR A 49 -5.330 -12.480 4.880 1.00 0.00 C ATOM 427 C TYR A 49 -4.670 -13.840 4.690 1.00 0.00 C ATOM 428 O TYR A 49 -5.170 -14.680 3.950 1.00 0.00 O ATOM 429 CB TYR A 49 -6.620 -12.590 5.720 1.00 0.00 C ATOM 430 CG TYR A 49 -6.370 -12.930 7.200 1.00 0.00 C ATOM 431 CD1 TYR A 49 -5.820 -14.190 7.540 1.00 0.00 C ATOM 432 CD2 TYR A 49 -6.700 -11.980 8.190 1.00 0.00 C ATOM 433 CE1 TYR A 49 -5.560 -14.490 8.890 1.00 0.00 C ATOM 434 CE2 TYR A 49 -6.430 -12.270 9.540 1.00 0.00 C ATOM 435 CZ TYR A 49 -5.870 -13.520 9.870 1.00 0.00 C ATOM 436 OH TYR A 49 -5.630 -13.830 11.170 1.00 0.00 O ATOM 0 H TYR A 49 -6.445 -12.326 3.103 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.626 -11.841 5.414 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.163 -11.647 5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.262 -13.356 5.284 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.602 -14.915 6.769 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.155 -11.040 7.914 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.133 -15.441 9.171 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.649 -11.546 10.311 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.887 -13.075 11.739 1.00 0.00 H new ATOM 439 N GLY A 50 -3.510 -13.970 5.320 1.00 0.00 N ATOM 440 CA GLY A 50 -2.770 -15.250 5.290 1.00 0.00 C ATOM 441 C GLY A 50 -1.810 -15.330 4.100 1.00 0.00 C ATOM 442 O GLY A 50 -0.780 -15.990 4.180 1.00 0.00 O ATOM 0 H GLY A 50 -3.057 -13.227 5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.209 -15.366 6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.478 -16.077 5.241 1.00 0.00 H new ATOM 444 N TYR A 51 -2.080 -14.520 3.070 1.00 0.00 N ATOM 445 CA TYR A 51 -1.240 -14.390 1.870 1.00 0.00 C ATOM 446 C TYR A 51 0.150 -13.810 2.190 1.00 0.00 C ATOM 447 O TYR A 51 1.020 -13.740 1.320 1.00 0.00 O ATOM 448 CB TYR A 51 -1.970 -13.470 0.900 1.00 0.00 C ATOM 449 CG TYR A 51 -1.850 -13.920 -0.550 1.00 0.00 C ATOM 450 CD1 TYR A 51 -2.640 -15.010 -0.980 1.00 0.00 C ATOM 451 CD2 TYR A 51 -0.980 -13.240 -1.430 1.00 0.00 C ATOM 452 CE1 TYR A 51 -2.550 -15.440 -2.320 1.00 0.00 C ATOM 453 CE2 TYR A 51 -0.890 -13.670 -2.770 1.00 0.00 C ATOM 454 CZ TYR A 51 -1.670 -14.770 -3.190 1.00 0.00 C ATOM 455 OH TYR A 51 -1.520 -15.240 -4.460 1.00 0.00 O ATOM 0 H TYR A 51 -2.906 -13.923 3.045 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.076 -15.379 1.441 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.024 -13.424 1.175 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.571 -12.460 0.996 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.305 -15.508 -0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.392 -12.403 -1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.146 -16.269 -2.672 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.235 -13.166 -3.465 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.882 -14.676 -4.944 1.00 0.00 H new ATOM 458 N TYR A 52 0.280 -13.270 3.390 1.00 0.00 N ATOM 459 CA TYR A 52 1.520 -12.670 3.880 1.00 0.00 C ATOM 460 C TYR A 52 2.030 -13.460 5.070 1.00 0.00 C ATOM 461 O TYR A 52 1.230 -13.950 5.870 1.00 0.00 O ATOM 462 CB TYR A 52 1.180 -11.310 4.400 1.00 0.00 C ATOM 463 CG TYR A 52 1.120 -10.200 3.370 1.00 0.00 C ATOM 464 CD1 TYR A 52 0.090 -10.170 2.410 1.00 0.00 C ATOM 465 CD2 TYR A 52 2.160 -9.270 3.440 1.00 0.00 C ATOM 466 CE1 TYR A 52 0.150 -9.150 1.440 1.00 0.00 C ATOM 467 CE2 TYR A 52 2.200 -8.260 2.470 1.00 0.00 C ATOM 468 CZ TYR A 52 1.210 -8.210 1.480 1.00 0.00 C ATOM 469 OH TYR A 52 1.300 -7.230 0.560 1.00 0.00 O ATOM 0 H TYR A 52 -0.483 -13.233 4.066 1.00 0.00 H new ATOM 0 HA TYR A 52 2.261 -12.648 3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.214 -11.366 4.901 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.916 -11.037 5.156 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.710 -10.896 2.417 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.909 -9.328 4.216 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.606 -9.085 0.672 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.990 -7.524 2.485 1.00 0.00 H new ATOM 0 HH TYR A 52 2.194 -7.239 0.159 1.00 0.00 H new ATOM 472 N HIS A 53 3.300 -13.200 5.330 1.00 0.00 N ATOM 473 CA HIS A 53 4.040 -13.850 6.420 1.00 0.00 C ATOM 474 C HIS A 53 5.270 -13.040 6.810 1.00 0.00 C ATOM 475 O HIS A 53 5.720 -12.160 6.080 1.00 0.00 O ATOM 476 CB HIS A 53 4.430 -15.280 6.040 1.00 0.00 C ATOM 477 CG HIS A 53 3.270 -16.250 5.820 1.00 0.00 C ATOM 478 ND1 HIS A 53 2.710 -16.530 4.650 1.00 0.00 N ATOM 479 CD2 HIS A 53 2.640 -16.950 6.760 1.00 0.00 C ATOM 480 CE1 HIS A 53 1.730 -17.400 4.860 1.00 0.00 C ATOM 481 NE2 HIS A 53 1.680 -17.640 6.160 1.00 0.00 N ATOM 0 H HIS A 53 3.856 -12.532 4.795 1.00 0.00 H new ATOM 0 HA HIS A 53 3.381 -13.897 7.287 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.026 -15.244 5.128 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.071 -15.682 6.824 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.868 -16.955 7.816 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.089 -17.833 4.106 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.012 -18.255 6.625 1.00 0.00 H new ATOM 485 N GLU A 54 5.750 -13.300 8.020 1.00 0.00 N ATOM 486 CA GLU A 54 6.920 -12.600 8.570 1.00 0.00 C ATOM 487 C GLU A 54 8.060 -13.580 8.830 1.00 0.00 C ATOM 488 O GLU A 54 7.820 -14.720 9.230 1.00 0.00 O ATOM 489 CB GLU A 54 6.620 -11.940 9.900 1.00 0.00 C ATOM 490 CG GLU A 54 5.460 -10.960 9.780 1.00 0.00 C ATOM 491 CD GLU A 54 5.390 -10.090 11.030 1.00 0.00 C ATOM 492 OE1 GLU A 54 6.450 -9.580 11.410 1.00 0.00 O ATOM 493 OE2 GLU A 54 4.270 -9.920 11.560 1.00 0.00 O ATOM 0 H GLU A 54 5.348 -13.995 8.649 1.00 0.00 H new ATOM 0 HA GLU A 54 7.191 -11.849 7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.380 -12.702 10.641 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.507 -11.416 10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.590 -10.334 8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.524 -11.504 9.651 1.00 0.00 H new ATOM 495 N TYR A 55 9.260 -13.060 8.600 1.00 0.00 N ATOM 496 CA TYR A 55 10.510 -13.850 8.660 1.00 0.00 C ATOM 497 C TYR A 55 11.730 -12.940 8.870 1.00 0.00 C ATOM 498 O TYR A 55 12.570 -12.790 7.980 1.00 0.00 O ATOM 499 CB TYR A 55 10.670 -14.640 7.350 1.00 0.00 C ATOM 500 CG TYR A 55 9.520 -15.570 7.010 1.00 0.00 C ATOM 501 CD1 TYR A 55 9.400 -16.770 7.710 1.00 0.00 C ATOM 502 CD2 TYR A 55 8.590 -15.210 6.020 1.00 0.00 C ATOM 503 CE1 TYR A 55 8.330 -17.650 7.450 1.00 0.00 C ATOM 504 CE2 TYR A 55 7.530 -16.090 5.740 1.00 0.00 C ATOM 505 CZ TYR A 55 7.400 -17.300 6.460 1.00 0.00 C ATOM 506 OH TYR A 55 6.350 -18.110 6.220 1.00 0.00 O ATOM 0 H TYR A 55 9.407 -12.078 8.365 1.00 0.00 H new ATOM 0 HA TYR A 55 10.450 -14.535 9.505 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.798 -13.932 6.531 1.00 0.00 H new ATOM 0 HB3 TYR A 55 11.586 -15.228 7.409 1.00 0.00 H new ATOM 0 HD1 TYR A 55 10.134 -17.028 8.459 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.688 -14.277 5.485 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.228 -18.573 8.001 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.812 -15.841 4.972 1.00 0.00 H new ATOM 0 HH TYR A 55 5.798 -17.727 5.507 1.00 0.00 H new ATOM 509 N THR A 56 11.780 -12.260 10.020 1.00 0.00 N ATOM 510 CA THR A 56 12.920 -11.390 10.370 1.00 0.00 C ATOM 511 C THR A 56 14.250 -11.940 9.870 1.00 0.00 C ATOM 512 O THR A 56 14.630 -13.080 10.130 1.00 0.00 O ATOM 513 CB THR A 56 13.000 -11.090 11.880 1.00 0.00 C ATOM 514 OG1 THR A 56 12.220 -9.930 12.090 1.00 0.00 O ATOM 515 CG2 THR A 56 14.360 -10.860 12.530 1.00 0.00 C ATOM 0 H THR A 56 11.047 -12.292 10.728 1.00 0.00 H new ATOM 0 HA THR A 56 12.730 -10.449 9.854 1.00 0.00 H new ATOM 0 HB THR A 56 12.659 -12.008 12.358 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.235 -9.694 13.041 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.226 -10.663 13.594 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.980 -11.747 12.400 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.847 -10.005 12.061 1.00 0.00 H new ATOM 518 N VAL A 57 14.870 -11.110 9.050 1.00 0.00 N ATOM 519 CA VAL A 57 16.180 -11.460 8.530 1.00 0.00 C ATOM 520 C VAL A 57 17.230 -11.110 9.580 1.00 0.00 C ATOM 521 O VAL A 57 17.290 -9.960 10.020 1.00 0.00 O ATOM 522 CB VAL A 57 16.370 -10.820 7.150 1.00 0.00 C ATOM 523 CG1 VAL A 57 17.070 -9.470 7.080 1.00 0.00 C ATOM 524 CG2 VAL A 57 17.190 -11.800 6.350 1.00 0.00 C ATOM 0 H VAL A 57 14.501 -10.213 8.736 1.00 0.00 H new ATOM 0 HA VAL A 57 16.288 -12.530 8.354 1.00 0.00 H new ATOM 0 HB VAL A 57 15.365 -10.614 6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.131 -9.145 6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.506 -8.737 7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 57 18.075 -9.560 7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 57 17.361 -11.400 5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.148 -11.962 6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 57 16.655 -12.747 6.276 1.00 0.00 H new ATOM 526 N ILE A 58 17.940 -12.130 10.060 1.00 0.00 N ATOM 527 CA ILE A 58 19.090 -11.910 10.980 1.00 0.00 C ATOM 528 C ILE A 58 19.920 -10.720 10.450 1.00 0.00 C ATOM 529 O ILE A 58 20.030 -10.500 9.250 1.00 0.00 O ATOM 530 CB ILE A 58 19.950 -13.180 11.150 1.00 0.00 C ATOM 531 CG1 ILE A 58 19.580 -13.910 12.420 1.00 0.00 C ATOM 532 CG2 ILE A 58 21.490 -13.070 11.070 1.00 0.00 C ATOM 533 CD1 ILE A 58 19.170 -15.330 12.080 1.00 0.00 C ATOM 0 H ILE A 58 17.755 -13.109 9.840 1.00 0.00 H new ATOM 0 HA ILE A 58 18.713 -11.676 11.975 1.00 0.00 H new ATOM 0 HB ILE A 58 19.691 -13.728 10.244 1.00 0.00 H new ATOM 0 HG12 ILE A 58 20.425 -13.918 13.108 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.763 -13.394 12.925 1.00 0.00 H new ATOM 0 HG21 ILE A 58 21.933 -14.056 11.211 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.777 -12.680 10.093 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.848 -12.397 11.849 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.902 -15.860 12.994 1.00 0.00 H new ATOM 0 HD12 ILE A 58 18.312 -15.310 11.408 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.000 -15.842 11.594 1.00 0.00 H new ATOM 535 N THR A 59 20.670 -10.150 11.380 1.00 0.00 N ATOM 536 CA THR A 59 21.550 -9.010 11.090 1.00 0.00 C ATOM 537 C THR A 59 22.740 -8.960 12.060 1.00 0.00 C ATOM 538 O THR A 59 22.610 -9.390 13.210 1.00 0.00 O ATOM 539 CB THR A 59 20.700 -7.730 11.000 1.00 0.00 C ATOM 540 OG1 THR A 59 20.100 -7.750 9.710 1.00 0.00 O ATOM 541 CG2 THR A 59 21.450 -6.410 11.130 1.00 0.00 C ATOM 0 H THR A 59 20.692 -10.456 12.353 1.00 0.00 H new ATOM 0 HA THR A 59 22.026 -9.121 10.116 1.00 0.00 H new ATOM 0 HB THR A 59 20.011 -7.753 11.844 1.00 0.00 H new ATOM 0 HG1 THR A 59 20.139 -8.659 9.345 1.00 0.00 H new ATOM 0 HG21 THR A 59 20.746 -5.582 11.051 1.00 0.00 H new ATOM 0 HG22 THR A 59 21.950 -6.369 12.098 1.00 0.00 H new ATOM 0 HG23 THR A 59 22.192 -6.333 10.335 1.00 0.00 H new ATOM 544 N PRO A 60 23.930 -8.580 11.570 1.00 0.00 N ATOM 545 CA PRO A 60 25.120 -8.410 12.420 1.00 0.00 C ATOM 546 C PRO A 60 24.990 -7.170 13.300 1.00 0.00 C ATOM 547 O PRO A 60 24.260 -6.230 12.970 1.00 0.00 O ATOM 548 CB PRO A 60 26.290 -8.310 11.440 1.00 0.00 C ATOM 549 CG PRO A 60 25.670 -7.750 10.160 1.00 0.00 C ATOM 550 CD PRO A 60 24.260 -8.330 10.140 1.00 0.00 C ATOM 0 HA PRO A 60 25.259 -9.237 13.116 1.00 0.00 H new ATOM 0 HB2 PRO A 60 27.073 -7.654 11.822 1.00 0.00 H new ATOM 0 HB3 PRO A 60 26.747 -9.284 11.266 1.00 0.00 H new ATOM 0 HG2 PRO A 60 25.652 -6.660 10.170 1.00 0.00 H new ATOM 0 HG3 PRO A 60 26.237 -8.051 9.279 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.553 -7.635 9.687 1.00 0.00 H new ATOM 0 HD3 PRO A 60 24.219 -9.251 9.558 1.00 0.00 H new ATOM 551 N GLY A 61 25.560 -7.300 14.500 1.00 0.00 N ATOM 552 CA GLY A 61 25.480 -6.270 15.560 1.00 0.00 C ATOM 553 C GLY A 61 24.030 -5.960 15.970 1.00 0.00 C ATOM 554 O GLY A 61 23.740 -4.920 16.570 1.00 0.00 O ATOM 0 H GLY A 61 26.095 -8.124 14.774 1.00 0.00 H new ATOM 0 HA2 GLY A 61 26.037 -6.608 16.434 1.00 0.00 H new ATOM 0 HA3 GLY A 61 25.959 -5.355 15.211 1.00 0.00 H new ATOM 556 N ALA A 62 23.140 -6.910 15.700 1.00 0.00 N ATOM 557 CA ALA A 62 21.720 -6.810 16.060 1.00 0.00 C ATOM 558 C ALA A 62 21.600 -7.350 17.490 1.00 0.00 C ATOM 559 O ALA A 62 21.460 -8.550 17.720 1.00 0.00 O ATOM 560 CB ALA A 62 20.860 -7.610 15.070 1.00 0.00 C ATOM 0 H ALA A 62 23.380 -7.779 15.222 1.00 0.00 H new ATOM 0 HA ALA A 62 21.361 -5.782 16.013 1.00 0.00 H new ATOM 0 HB1 ALA A 62 19.810 -7.526 15.350 1.00 0.00 H new ATOM 0 HB2 ALA A 62 21.000 -7.214 14.064 1.00 0.00 H new ATOM 0 HB3 ALA A 62 21.159 -8.658 15.093 1.00 0.00 H new ATOM 562 N ARG A 63 21.810 -6.430 18.430 1.00 0.00 N ATOM 563 CA ARG A 63 21.650 -6.720 19.870 1.00 0.00 C ATOM 564 C ARG A 63 20.340 -7.450 20.190 1.00 0.00 C ATOM 565 O ARG A 63 20.210 -8.130 21.210 1.00 0.00 O ATOM 566 CB ARG A 63 21.710 -5.440 20.720 1.00 0.00 C ATOM 567 CG ARG A 63 23.160 -5.180 21.140 1.00 0.00 C ATOM 568 CD ARG A 63 23.660 -3.810 20.690 1.00 0.00 C ATOM 569 NE ARG A 63 23.190 -2.740 21.580 1.00 0.00 N ATOM 570 CZ ARG A 63 23.660 -1.490 21.600 1.00 0.00 C ATOM 571 NH1 ARG A 63 24.620 -1.110 20.770 1.00 0.00 N ATOM 572 NH2 ARG A 63 23.190 -0.600 22.460 1.00 0.00 N ATOM 0 H ARG A 63 22.093 -5.471 18.228 1.00 0.00 H new ATOM 0 HA ARG A 63 22.486 -7.373 20.122 1.00 0.00 H new ATOM 0 HB2 ARG A 63 21.327 -4.593 20.151 1.00 0.00 H new ATOM 0 HB3 ARG A 63 21.077 -5.545 21.601 1.00 0.00 H new ATOM 0 HG2 ARG A 63 23.240 -5.255 22.224 1.00 0.00 H new ATOM 0 HG3 ARG A 63 23.802 -5.954 20.719 1.00 0.00 H new ATOM 0 HD2 ARG A 63 24.750 -3.810 20.666 1.00 0.00 H new ATOM 0 HD3 ARG A 63 23.319 -3.614 19.674 1.00 0.00 H new ATOM 0 HE ARG A 63 22.444 -2.970 22.236 1.00 0.00 H new ATOM 0 HH11 ARG A 63 25.011 -1.776 20.103 1.00 0.00 H new ATOM 0 HH12 ARG A 63 24.968 -0.152 20.798 1.00 0.00 H new ATOM 0 HH21 ARG A 63 22.459 -0.865 23.120 1.00 0.00 H new ATOM 0 HH22 ARG A 63 23.559 0.351 22.463 1.00 0.00 H new ATOM 579 N THR A 64 19.360 -7.220 19.320 1.00 0.00 N ATOM 580 CA THR A 64 18.020 -7.810 19.440 1.00 0.00 C ATOM 581 C THR A 64 17.650 -8.490 18.110 1.00 0.00 C ATOM 582 O THR A 64 18.500 -8.710 17.240 1.00 0.00 O ATOM 583 CB THR A 64 17.040 -6.690 19.820 1.00 0.00 C ATOM 584 OG1 THR A 64 16.950 -5.750 18.740 1.00 0.00 O ATOM 585 CG2 THR A 64 17.430 -5.980 21.120 1.00 0.00 C ATOM 0 H THR A 64 19.469 -6.616 18.505 1.00 0.00 H new ATOM 0 HA THR A 64 17.983 -8.575 20.216 1.00 0.00 H new ATOM 0 HB THR A 64 16.067 -7.147 19.998 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.324 -5.035 18.980 1.00 0.00 H new ATOM 0 HG21 THR A 64 16.703 -5.198 21.340 1.00 0.00 H new ATOM 0 HG22 THR A 64 17.446 -6.701 21.937 1.00 0.00 H new ATOM 0 HG23 THR A 64 18.419 -5.535 21.009 1.00 0.00 H new ATOM 588 N ARG A 65 16.350 -8.680 17.890 1.00 0.00 N ATOM 589 CA ARG A 65 15.830 -9.200 16.610 1.00 0.00 C ATOM 590 C ARG A 65 16.240 -8.350 15.400 1.00 0.00 C ATOM 591 O ARG A 65 16.220 -8.850 14.280 1.00 0.00 O ATOM 592 CB ARG A 65 14.310 -9.290 16.620 1.00 0.00 C ATOM 593 CG ARG A 65 13.810 -10.740 16.660 1.00 0.00 C ATOM 594 CD ARG A 65 12.280 -10.810 16.780 1.00 0.00 C ATOM 595 NE ARG A 65 11.830 -10.310 18.090 1.00 0.00 N ATOM 596 CZ ARG A 65 11.550 -9.040 18.420 1.00 0.00 C ATOM 597 NH1 ARG A 65 11.630 -8.050 17.530 1.00 0.00 N ATOM 598 NH2 ARG A 65 11.210 -8.730 19.660 1.00 0.00 N ATOM 0 H ARG A 65 15.627 -8.482 18.582 1.00 0.00 H new ATOM 0 HA ARG A 65 16.273 -10.191 16.510 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.923 -8.751 17.485 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.914 -8.796 15.733 1.00 0.00 H new ATOM 0 HG2 ARG A 65 14.128 -11.260 15.756 1.00 0.00 H new ATOM 0 HG3 ARG A 65 14.265 -11.259 17.503 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.822 -10.221 15.985 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.948 -11.839 16.646 1.00 0.00 H new ATOM 0 HE ARG A 65 11.719 -11.006 18.828 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.910 -8.249 16.570 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.411 -7.094 17.810 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.159 -9.458 20.372 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.998 -7.762 19.904 1.00 0.00 H new ATOM 605 N GLY A 66 16.650 -7.120 15.690 1.00 0.00 N ATOM 606 CA GLY A 66 17.080 -6.150 14.680 1.00 0.00 C ATOM 607 C GLY A 66 15.860 -5.780 13.860 1.00 0.00 C ATOM 608 O GLY A 66 15.090 -6.620 13.390 1.00 0.00 O ATOM 0 H GLY A 66 16.695 -6.761 16.644 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.507 -5.266 15.154 1.00 0.00 H new ATOM 0 HA3 GLY A 66 17.856 -6.576 14.044 1.00 0.00 H new ATOM 610 N THR A 67 15.630 -4.490 13.810 1.00 0.00 N ATOM 611 CA THR A 67 14.570 -3.880 13.000 1.00 0.00 C ATOM 612 C THR A 67 14.400 -4.540 11.600 1.00 0.00 C ATOM 613 O THR A 67 13.310 -4.630 11.040 1.00 0.00 O ATOM 614 CB THR A 67 14.900 -2.400 12.890 1.00 0.00 C ATOM 615 OG1 THR A 67 16.270 -2.260 12.500 1.00 0.00 O ATOM 616 CG2 THR A 67 14.600 -1.610 14.160 1.00 0.00 C ATOM 0 H THR A 67 16.178 -3.810 14.337 1.00 0.00 H new ATOM 0 HA THR A 67 13.607 -4.035 13.486 1.00 0.00 H new ATOM 0 HB THR A 67 14.247 -1.970 12.130 1.00 0.00 H new ATOM 0 HG1 THR A 67 16.316 -1.876 11.599 1.00 0.00 H new ATOM 0 HG21 THR A 67 14.860 -0.563 14.007 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.539 -1.689 14.396 1.00 0.00 H new ATOM 0 HG23 THR A 67 15.186 -2.013 14.986 1.00 0.00 H new ATOM 619 N ARG A 68 15.500 -5.040 11.060 1.00 0.00 N ATOM 620 CA ARG A 68 15.520 -5.890 9.840 1.00 0.00 C ATOM 621 C ARG A 68 14.460 -6.990 9.870 1.00 0.00 C ATOM 622 O ARG A 68 14.530 -7.980 10.600 1.00 0.00 O ATOM 623 CB ARG A 68 16.900 -6.530 9.680 1.00 0.00 C ATOM 624 CG ARG A 68 18.030 -5.500 9.650 1.00 0.00 C ATOM 625 CD ARG A 68 17.900 -4.520 8.490 1.00 0.00 C ATOM 626 NE ARG A 68 19.020 -4.640 7.550 1.00 0.00 N ATOM 627 CZ ARG A 68 19.370 -3.710 6.660 1.00 0.00 C ATOM 628 NH1 ARG A 68 18.690 -2.570 6.550 1.00 0.00 N ATOM 629 NH2 ARG A 68 20.390 -3.920 5.850 1.00 0.00 N ATOM 0 H ARG A 68 16.428 -4.875 11.450 1.00 0.00 H new ATOM 0 HA ARG A 68 15.296 -5.239 8.995 1.00 0.00 H new ATOM 0 HB2 ARG A 68 17.070 -7.226 10.501 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.921 -7.113 8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.037 -4.947 10.589 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.987 -6.018 9.578 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.963 -4.701 7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 68 17.857 -3.502 8.877 1.00 0.00 H new ATOM 0 HE ARG A 68 19.572 -5.498 7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.886 -2.396 7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.974 -1.871 5.863 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.912 -4.795 5.904 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.656 -3.208 5.170 1.00 0.00 H new ATOM 636 N ARG A 69 13.440 -6.740 9.070 1.00 0.00 N ATOM 637 CA ARG A 69 12.280 -7.630 8.920 1.00 0.00 C ATOM 638 C ARG A 69 11.990 -7.860 7.450 1.00 0.00 C ATOM 639 O ARG A 69 12.120 -6.960 6.620 1.00 0.00 O ATOM 640 CB ARG A 69 11.060 -7.010 9.600 1.00 0.00 C ATOM 641 CG ARG A 69 10.910 -7.390 11.050 1.00 0.00 C ATOM 642 CD ARG A 69 9.860 -8.490 11.130 1.00 0.00 C ATOM 643 NE ARG A 69 8.580 -7.920 11.580 1.00 0.00 N ATOM 644 CZ ARG A 69 8.300 -7.510 12.820 1.00 0.00 C ATOM 645 NH1 ARG A 69 9.190 -7.600 13.800 1.00 0.00 N ATOM 646 NH2 ARG A 69 7.090 -7.040 13.100 1.00 0.00 N ATOM 0 H ARG A 69 13.384 -5.901 8.492 1.00 0.00 H new ATOM 0 HA ARG A 69 12.503 -8.587 9.391 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.126 -5.925 9.524 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.163 -7.313 9.061 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.860 -7.737 11.455 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.607 -6.527 11.643 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.737 -8.961 10.155 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.186 -9.268 11.820 1.00 0.00 H new ATOM 0 HE ARG A 69 7.841 -7.830 10.883 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.114 -7.990 13.615 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.950 -7.279 14.738 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.379 -6.993 12.370 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.871 -6.726 14.045 1.00 0.00 H new ATOM 653 N ILE A 70 11.620 -9.110 7.190 1.00 0.00 N ATOM 654 CA ILE A 70 11.230 -9.560 5.850 1.00 0.00 C ATOM 655 C ILE A 70 9.770 -10.010 5.900 1.00 0.00 C ATOM 656 O ILE A 70 9.370 -10.780 6.770 1.00 0.00 O ATOM 657 CB ILE A 70 12.190 -10.650 5.330 1.00 0.00 C ATOM 658 CG1 ILE A 70 13.390 -9.930 4.680 1.00 0.00 C ATOM 659 CG2 ILE A 70 11.540 -11.670 4.380 1.00 0.00 C ATOM 660 CD1 ILE A 70 14.480 -10.830 4.080 1.00 0.00 C ATOM 0 H ILE A 70 11.581 -9.842 7.899 1.00 0.00 H new ATOM 0 HA ILE A 70 11.309 -8.743 5.133 1.00 0.00 H new ATOM 0 HB ILE A 70 12.511 -11.262 6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 70 13.012 -9.279 3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.851 -9.288 5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 70 12.286 -12.399 4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.728 -12.182 4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.144 -11.153 3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 70 15.269 -10.211 3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.899 -11.464 4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 70 14.047 -11.455 3.299 1.00 0.00 H new ATOM 662 N ILE A 71 9.060 -9.570 4.870 1.00 0.00 N ATOM 663 CA ILE A 71 7.640 -9.890 4.730 1.00 0.00 C ATOM 664 C ILE A 71 7.420 -10.540 3.370 1.00 0.00 C ATOM 665 O ILE A 71 7.560 -9.900 2.340 1.00 0.00 O ATOM 666 CB ILE A 71 6.760 -8.640 4.890 1.00 0.00 C ATOM 667 CG1 ILE A 71 7.170 -7.740 6.070 1.00 0.00 C ATOM 668 CG2 ILE A 71 5.300 -9.070 4.970 1.00 0.00 C ATOM 669 CD1 ILE A 71 7.210 -8.420 7.450 1.00 0.00 C ATOM 0 H ILE A 71 9.439 -8.992 4.120 1.00 0.00 H new ATOM 0 HA ILE A 71 7.350 -10.581 5.521 1.00 0.00 H new ATOM 0 HB ILE A 71 6.906 -8.012 4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.157 -7.327 5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.477 -6.900 6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.667 -8.190 5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.026 -9.599 4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.161 -9.730 5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.511 -7.694 8.205 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.221 -8.808 7.693 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.927 -9.241 7.431 1.00 0.00 H new ATOM 671 N THR A 72 7.290 -11.840 3.380 1.00 0.00 N ATOM 672 CA THR A 72 7.050 -12.600 2.140 1.00 0.00 C ATOM 673 C THR A 72 5.560 -12.740 1.850 1.00 0.00 C ATOM 674 O THR A 72 4.710 -12.450 2.690 1.00 0.00 O ATOM 675 CB THR A 72 7.720 -13.960 2.240 1.00 0.00 C ATOM 676 OG1 THR A 72 7.360 -14.460 3.520 1.00 0.00 O ATOM 677 CG2 THR A 72 9.230 -13.840 2.050 1.00 0.00 C ATOM 0 H THR A 72 7.343 -12.412 4.223 1.00 0.00 H new ATOM 0 HA THR A 72 7.485 -12.051 1.305 1.00 0.00 H new ATOM 0 HB THR A 72 7.395 -14.645 1.457 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.146 -14.859 3.948 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.686 -14.827 2.126 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.441 -13.418 1.067 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.643 -13.189 2.821 1.00 0.00 H new ATOM 680 N GLY A 73 5.300 -13.090 0.600 1.00 0.00 N ATOM 681 CA GLY A 73 3.940 -13.270 0.070 1.00 0.00 C ATOM 682 C GLY A 73 3.730 -14.730 -0.320 1.00 0.00 C ATOM 683 O GLY A 73 4.680 -15.480 -0.540 1.00 0.00 O ATOM 0 H GLY A 73 6.031 -13.261 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.205 -12.974 0.819 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.789 -12.627 -0.797 1.00 0.00 H new ATOM 685 N GLU A 74 2.460 -15.060 -0.550 1.00 0.00 N ATOM 686 CA GLU A 74 2.070 -16.410 -1.000 1.00 0.00 C ATOM 687 C GLU A 74 2.580 -16.710 -2.430 1.00 0.00 C ATOM 688 O GLU A 74 2.580 -17.850 -2.880 1.00 0.00 O ATOM 689 CB GLU A 74 0.550 -16.540 -0.940 1.00 0.00 C ATOM 690 CG GLU A 74 0.030 -17.970 -1.100 1.00 0.00 C ATOM 691 CD GLU A 74 -0.610 -18.440 0.200 1.00 0.00 C ATOM 692 OE1 GLU A 74 0.140 -18.960 1.050 1.00 0.00 O ATOM 693 OE2 GLU A 74 -1.840 -18.220 0.330 1.00 0.00 O ATOM 0 H GLU A 74 1.678 -14.416 -0.434 1.00 0.00 H new ATOM 0 HA GLU A 74 2.531 -17.140 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.201 -16.144 0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.113 -15.918 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.698 -18.012 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.849 -18.635 -1.373 1.00 0.00 H new ATOM 695 N ALA A 75 3.000 -15.650 -3.100 1.00 0.00 N ATOM 696 CA ALA A 75 3.630 -15.740 -4.420 1.00 0.00 C ATOM 697 C ALA A 75 5.120 -15.420 -4.260 1.00 0.00 C ATOM 698 O ALA A 75 5.500 -14.460 -3.590 1.00 0.00 O ATOM 699 CB ALA A 75 2.950 -14.750 -5.370 1.00 0.00 C ATOM 0 H ALA A 75 2.916 -14.696 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 75 3.523 -16.740 -4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.415 -14.812 -6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.891 -14.994 -5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.060 -13.738 -4.980 1.00 0.00 H new ATOM 701 N THR A 76 5.930 -16.300 -4.840 1.00 0.00 N ATOM 702 CA THR A 76 7.390 -16.110 -4.880 1.00 0.00 C ATOM 703 C THR A 76 7.660 -14.740 -5.520 1.00 0.00 C ATOM 704 O THR A 76 6.930 -14.320 -6.420 1.00 0.00 O ATOM 705 CB THR A 76 8.060 -17.280 -5.630 1.00 0.00 C ATOM 706 OG1 THR A 76 8.060 -18.370 -4.710 1.00 0.00 O ATOM 707 CG2 THR A 76 9.490 -17.070 -6.140 1.00 0.00 C ATOM 0 H THR A 76 5.607 -17.156 -5.292 1.00 0.00 H new ATOM 0 HA THR A 76 7.825 -16.115 -3.881 1.00 0.00 H new ATOM 0 HB THR A 76 7.488 -17.430 -6.546 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.475 -19.152 -5.130 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.832 -17.973 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.508 -16.234 -6.839 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.148 -16.854 -5.299 1.00 0.00 H new ATOM 710 N GLN A 77 8.700 -14.100 -4.990 1.00 0.00 N ATOM 711 CA GLN A 77 9.210 -12.760 -5.400 1.00 0.00 C ATOM 712 C GLN A 77 8.360 -11.630 -4.780 1.00 0.00 C ATOM 713 O GLN A 77 8.170 -10.550 -5.330 1.00 0.00 O ATOM 714 CB GLN A 77 9.330 -12.560 -6.930 1.00 0.00 C ATOM 715 CG GLN A 77 9.740 -13.850 -7.650 1.00 0.00 C ATOM 716 CD GLN A 77 10.800 -13.690 -8.720 1.00 0.00 C ATOM 717 OE1 GLN A 77 11.640 -12.810 -8.700 1.00 0.00 O ATOM 718 NE2 GLN A 77 10.830 -14.680 -9.590 1.00 0.00 N ATOM 0 H GLN A 77 9.245 -14.505 -4.229 1.00 0.00 H new ATOM 0 HA GLN A 77 10.227 -12.713 -5.011 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.376 -12.212 -7.326 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.064 -11.781 -7.137 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.102 -14.561 -6.907 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.852 -14.289 -8.105 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.105 -15.397 -9.571 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.578 -14.729 -10.282 1.00 0.00 H new ATOM 722 N GLU A 78 7.890 -11.920 -3.570 1.00 0.00 N ATOM 723 CA GLU A 78 7.070 -11.000 -2.770 1.00 0.00 C ATOM 724 C GLU A 78 7.580 -10.810 -1.340 1.00 0.00 C ATOM 725 O GLU A 78 6.830 -10.830 -0.370 1.00 0.00 O ATOM 726 CB GLU A 78 5.590 -11.370 -2.800 1.00 0.00 C ATOM 727 CG GLU A 78 4.950 -10.980 -4.140 1.00 0.00 C ATOM 728 CD GLU A 78 3.520 -10.500 -3.900 1.00 0.00 C ATOM 729 OE1 GLU A 78 2.730 -11.250 -3.290 1.00 0.00 O ATOM 730 OE2 GLU A 78 3.250 -9.360 -4.350 1.00 0.00 O ATOM 0 H GLU A 78 8.067 -12.811 -3.107 1.00 0.00 H new ATOM 0 HA GLU A 78 7.172 -10.028 -3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.477 -12.442 -2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.070 -10.867 -1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.533 -10.194 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.950 -11.834 -4.817 1.00 0.00 H new ATOM 732 N ASP A 79 8.870 -10.540 -1.260 1.00 0.00 N ATOM 733 CA ASP A 79 9.600 -10.350 0.010 1.00 0.00 C ATOM 734 C ASP A 79 9.940 -8.880 0.210 1.00 0.00 C ATOM 735 O ASP A 79 10.780 -8.340 -0.480 1.00 0.00 O ATOM 736 CB ASP A 79 10.880 -11.190 0.060 1.00 0.00 C ATOM 737 CG ASP A 79 11.480 -11.580 -1.300 1.00 0.00 C ATOM 738 OD1 ASP A 79 11.400 -10.770 -2.250 1.00 0.00 O ATOM 739 OD2 ASP A 79 11.820 -12.770 -1.430 1.00 0.00 O ATOM 0 H ASP A 79 9.464 -10.442 -2.084 1.00 0.00 H new ATOM 0 HA ASP A 79 8.946 -10.684 0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.633 -10.637 0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.671 -12.103 0.618 1.00 0.00 H new ATOM 741 N TYR A 80 9.170 -8.270 1.090 1.00 0.00 N ATOM 742 CA TYR A 80 9.250 -6.840 1.420 1.00 0.00 C ATOM 743 C TYR A 80 10.200 -6.630 2.600 1.00 0.00 C ATOM 744 O TYR A 80 10.160 -7.350 3.590 1.00 0.00 O ATOM 745 CB TYR A 80 7.860 -6.350 1.820 1.00 0.00 C ATOM 746 CG TYR A 80 6.770 -6.800 0.830 1.00 0.00 C ATOM 747 CD1 TYR A 80 6.480 -5.980 -0.270 1.00 0.00 C ATOM 748 CD2 TYR A 80 6.010 -7.970 1.090 1.00 0.00 C ATOM 749 CE1 TYR A 80 5.390 -6.310 -1.100 1.00 0.00 C ATOM 750 CE2 TYR A 80 4.940 -8.310 0.260 1.00 0.00 C ATOM 751 CZ TYR A 80 4.640 -7.470 -0.840 1.00 0.00 C ATOM 752 OH TYR A 80 3.680 -7.840 -1.720 1.00 0.00 O ATOM 0 H TYR A 80 8.447 -8.760 1.616 1.00 0.00 H new ATOM 0 HA TYR A 80 9.618 -6.289 0.554 1.00 0.00 H new ATOM 0 HB2 TYR A 80 7.619 -6.723 2.815 1.00 0.00 H new ATOM 0 HB3 TYR A 80 7.865 -5.262 1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 80 7.083 -5.109 -0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 80 6.260 -8.599 1.932 1.00 0.00 H new ATOM 0 HE1 TYR A 80 5.132 -5.674 -1.933 1.00 0.00 H new ATOM 0 HE2 TYR A 80 4.353 -9.196 0.453 1.00 0.00 H new ATOM 0 HH TYR A 80 4.096 -8.267 -2.498 1.00 0.00 H new ATOM 755 N TYR A 81 11.100 -5.680 2.410 1.00 0.00 N ATOM 756 CA TYR A 81 12.140 -5.380 3.400 1.00 0.00 C ATOM 757 C TYR A 81 11.870 -4.030 4.040 1.00 0.00 C ATOM 758 O TYR A 81 11.780 -3.000 3.360 1.00 0.00 O ATOM 759 CB TYR A 81 13.500 -5.320 2.710 1.00 0.00 C ATOM 760 CG TYR A 81 14.640 -5.680 3.660 1.00 0.00 C ATOM 761 CD1 TYR A 81 15.210 -4.700 4.510 1.00 0.00 C ATOM 762 CD2 TYR A 81 15.140 -7.000 3.610 1.00 0.00 C ATOM 763 CE1 TYR A 81 16.300 -5.060 5.320 1.00 0.00 C ATOM 764 CE2 TYR A 81 16.240 -7.350 4.410 1.00 0.00 C ATOM 765 CZ TYR A 81 16.790 -6.380 5.260 1.00 0.00 C ATOM 766 OH TYR A 81 17.820 -6.770 6.060 1.00 0.00 O ATOM 0 H TYR A 81 11.137 -5.095 1.575 1.00 0.00 H new ATOM 0 HA TYR A 81 12.135 -6.161 4.161 1.00 0.00 H new ATOM 0 HB2 TYR A 81 13.506 -6.003 1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 81 13.661 -4.318 2.313 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.814 -3.695 4.535 1.00 0.00 H new ATOM 0 HD2 TYR A 81 14.681 -7.733 2.963 1.00 0.00 H new ATOM 0 HE1 TYR A 81 16.756 -4.336 5.979 1.00 0.00 H new ATOM 0 HE2 TYR A 81 16.654 -8.347 4.371 1.00 0.00 H new ATOM 0 HH TYR A 81 18.363 -7.438 5.592 1.00 0.00 H new ATOM 769 N THR A 82 11.780 -4.080 5.360 1.00 0.00 N ATOM 770 CA THR A 82 11.580 -2.890 6.200 1.00 0.00 C ATOM 771 C THR A 82 12.900 -2.250 6.630 1.00 0.00 C ATOM 772 O THR A 82 13.280 -1.170 6.210 1.00 0.00 O ATOM 773 CB THR A 82 10.570 -3.080 7.360 1.00 0.00 C ATOM 774 OG1 THR A 82 10.890 -2.360 8.540 1.00 0.00 O ATOM 775 CG2 THR A 82 10.200 -4.520 7.670 1.00 0.00 C ATOM 0 H THR A 82 11.843 -4.949 5.890 1.00 0.00 H new ATOM 0 HA THR A 82 11.088 -2.164 5.552 1.00 0.00 H new ATOM 0 HB THR A 82 9.667 -2.627 6.951 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.873 -1.398 8.351 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.489 -4.543 8.496 1.00 0.00 H new ATOM 0 HG22 THR A 82 9.749 -4.977 6.790 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.097 -5.074 7.947 1.00 0.00 H new ATOM 778 N GLY A 83 13.560 -2.970 7.520 1.00 0.00 N ATOM 779 CA GLY A 83 14.810 -2.510 8.150 1.00 0.00 C ATOM 780 C GLY A 83 14.550 -1.540 9.320 1.00 0.00 C ATOM 781 O GLY A 83 15.490 -1.180 10.020 1.00 0.00 O ATOM 0 H GLY A 83 13.254 -3.891 7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 83 15.371 -3.372 8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.431 -2.017 7.403 1.00 0.00 H new ATOM 783 N ASP A 84 13.300 -1.110 9.490 1.00 0.00 N ATOM 784 CA ASP A 84 12.900 -0.280 10.650 1.00 0.00 C ATOM 785 C ASP A 84 11.960 -1.040 11.600 1.00 0.00 C ATOM 786 O ASP A 84 11.420 -0.450 12.530 1.00 0.00 O ATOM 787 CB ASP A 84 12.240 1.010 10.180 1.00 0.00 C ATOM 788 CG ASP A 84 11.970 2.040 11.300 1.00 0.00 C ATOM 789 OD1 ASP A 84 10.910 1.940 11.960 1.00 0.00 O ATOM 790 OD2 ASP A 84 12.770 2.990 11.370 1.00 0.00 O ATOM 0 H ASP A 84 12.539 -1.318 8.844 1.00 0.00 H new ATOM 0 HA ASP A 84 13.806 -0.037 11.204 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.875 1.473 9.424 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.295 0.764 9.696 1.00 0.00 H new ATOM 792 N HIS A 85 11.800 -2.350 11.380 1.00 0.00 N ATOM 793 CA HIS A 85 10.940 -3.260 12.160 1.00 0.00 C ATOM 794 C HIS A 85 9.510 -3.300 11.660 1.00 0.00 C ATOM 795 O HIS A 85 8.890 -4.330 11.860 1.00 0.00 O ATOM 796 CB HIS A 85 11.020 -3.000 13.670 1.00 0.00 C ATOM 797 CG HIS A 85 10.470 -4.120 14.540 1.00 0.00 C ATOM 798 ND1 HIS A 85 9.290 -4.110 15.130 1.00 0.00 N ATOM 799 CD2 HIS A 85 11.150 -5.180 14.940 1.00 0.00 C ATOM 800 CE1 HIS A 85 9.220 -5.170 15.920 1.00 0.00 C ATOM 801 NE2 HIS A 85 10.370 -5.830 15.800 1.00 0.00 N ATOM 0 H HIS A 85 12.285 -2.830 10.622 1.00 0.00 H new ATOM 0 HA HIS A 85 11.345 -4.258 11.995 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.062 -2.827 13.940 1.00 0.00 H new ATOM 0 HB3 HIS A 85 10.476 -2.083 13.896 1.00 0.00 H new ATOM 0 HD1 HIS A 85 8.560 -3.409 15.000 1.00 0.00 H new ATOM 0 HD2 HIS A 85 12.145 -5.463 14.629 1.00 0.00 H new ATOM 0 HE1 HIS A 85 8.385 -5.448 16.546 1.00 0.00 H new ATOM 805 N TYR A 86 9.140 -2.240 10.930 1.00 0.00 N ATOM 806 CA TYR A 86 7.820 -1.970 10.320 1.00 0.00 C ATOM 807 C TYR A 86 7.600 -0.490 9.950 1.00 0.00 C ATOM 808 O TYR A 86 6.660 0.160 10.400 1.00 0.00 O ATOM 809 CB TYR A 86 6.700 -2.440 11.260 1.00 0.00 C ATOM 810 CG TYR A 86 6.170 -3.820 10.910 1.00 0.00 C ATOM 811 CD1 TYR A 86 6.830 -4.670 9.990 1.00 0.00 C ATOM 812 CD2 TYR A 86 5.030 -4.240 11.630 1.00 0.00 C ATOM 813 CE1 TYR A 86 6.370 -5.980 9.800 1.00 0.00 C ATOM 814 CE2 TYR A 86 4.550 -5.540 11.440 1.00 0.00 C ATOM 815 CZ TYR A 86 5.240 -6.380 10.520 1.00 0.00 C ATOM 816 OH TYR A 86 4.750 -7.590 10.220 1.00 0.00 O ATOM 0 H TYR A 86 9.801 -1.489 10.732 1.00 0.00 H new ATOM 0 HA TYR A 86 7.796 -2.532 9.386 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.073 -2.449 12.284 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.880 -1.723 11.226 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.685 -4.310 9.437 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.537 -3.568 12.317 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.870 -6.656 9.122 1.00 0.00 H new ATOM 0 HE2 TYR A 86 3.682 -5.896 11.975 1.00 0.00 H new ATOM 0 HH TYR A 86 4.080 -7.505 9.510 1.00 0.00 H new ATOM 819 N ALA A 87 8.500 0.060 9.160 1.00 0.00 N ATOM 820 CA ALA A 87 8.290 1.450 8.690 1.00 0.00 C ATOM 821 C ALA A 87 8.210 1.580 7.170 1.00 0.00 C ATOM 822 O ALA A 87 7.400 2.330 6.630 1.00 0.00 O ATOM 823 CB ALA A 87 9.310 2.440 9.230 1.00 0.00 C ATOM 0 H ALA A 87 9.353 -0.394 8.832 1.00 0.00 H new ATOM 0 HA ALA A 87 7.315 1.708 9.104 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.092 3.435 8.843 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.261 2.456 10.319 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.310 2.140 8.916 1.00 0.00 H new ATOM 825 N THR A 88 9.090 0.840 6.510 1.00 0.00 N ATOM 826 CA THR A 88 9.240 0.850 5.040 1.00 0.00 C ATOM 827 C THR A 88 9.180 -0.590 4.540 1.00 0.00 C ATOM 828 O THR A 88 9.110 -1.510 5.340 1.00 0.00 O ATOM 829 CB THR A 88 10.580 1.470 4.690 1.00 0.00 C ATOM 830 OG1 THR A 88 11.570 0.860 5.520 1.00 0.00 O ATOM 831 CG2 THR A 88 10.570 2.990 4.890 1.00 0.00 C ATOM 0 H THR A 88 9.735 0.202 6.977 1.00 0.00 H new ATOM 0 HA THR A 88 8.445 1.431 4.573 1.00 0.00 H new ATOM 0 HB THR A 88 10.800 1.296 3.637 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.850 0.009 5.124 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.547 3.398 4.629 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.808 3.436 4.251 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.348 3.218 5.932 1.00 0.00 H new ATOM 834 N PHE A 89 9.000 -0.760 3.230 1.00 0.00 N ATOM 835 CA PHE A 89 8.790 -2.090 2.620 1.00 0.00 C ATOM 836 C PHE A 89 9.180 -2.000 1.150 1.00 0.00 C ATOM 837 O PHE A 89 8.640 -1.180 0.410 1.00 0.00 O ATOM 838 CB PHE A 89 7.330 -2.540 2.720 1.00 0.00 C ATOM 839 CG PHE A 89 6.860 -2.740 4.170 1.00 0.00 C ATOM 840 CD1 PHE A 89 7.030 -3.980 4.810 1.00 0.00 C ATOM 841 CD2 PHE A 89 6.300 -1.640 4.860 1.00 0.00 C ATOM 842 CE1 PHE A 89 6.630 -4.130 6.160 1.00 0.00 C ATOM 843 CE2 PHE A 89 5.930 -1.770 6.220 1.00 0.00 C ATOM 844 CZ PHE A 89 6.090 -3.020 6.850 1.00 0.00 C ATOM 0 H PHE A 89 8.994 0.008 2.559 1.00 0.00 H new ATOM 0 HA PHE A 89 9.399 -2.819 3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.693 -1.799 2.237 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.205 -3.474 2.172 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.463 -4.813 4.276 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.154 -0.700 4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.736 -5.083 6.658 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.532 -0.927 6.765 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.794 -3.133 7.882 1.00 0.00 H new ATOM 846 N SER A 90 10.260 -2.710 0.850 1.00 0.00 N ATOM 847 CA SER A 90 10.800 -2.730 -0.510 1.00 0.00 C ATOM 848 C SER A 90 11.050 -4.170 -0.930 1.00 0.00 C ATOM 849 O SER A 90 11.800 -4.870 -0.250 1.00 0.00 O ATOM 850 CB SER A 90 12.110 -1.950 -0.620 1.00 0.00 C ATOM 851 OG SER A 90 11.990 -0.690 0.030 1.00 0.00 O ATOM 0 H SER A 90 10.778 -3.276 1.522 1.00 0.00 H new ATOM 0 HA SER A 90 10.067 -2.255 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.921 -2.523 -0.171 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.367 -1.803 -1.669 1.00 0.00 H new ATOM 0 HG SER A 90 12.836 -0.201 -0.046 1.00 0.00 H new ATOM 854 N LEU A 91 10.260 -4.640 -1.910 1.00 0.00 N ATOM 855 CA LEU A 91 10.410 -6.000 -2.480 1.00 0.00 C ATOM 856 C LEU A 91 11.880 -6.380 -2.710 1.00 0.00 C ATOM 857 O LEU A 91 12.740 -5.530 -2.750 1.00 0.00 O ATOM 858 CB LEU A 91 9.630 -6.150 -3.790 1.00 0.00 C ATOM 859 CG LEU A 91 8.150 -6.390 -3.560 1.00 0.00 C ATOM 860 CD1 LEU A 91 7.380 -6.510 -4.880 1.00 0.00 C ATOM 861 CD2 LEU A 91 7.970 -7.700 -2.800 1.00 0.00 C ATOM 0 H LEU A 91 9.505 -4.098 -2.330 1.00 0.00 H new ATOM 0 HA LEU A 91 9.996 -6.684 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 91 9.760 -5.250 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.045 -6.979 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 91 7.762 -5.540 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.324 -6.681 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 91 7.492 -5.589 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.776 -7.345 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.908 -7.880 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.388 -8.520 -3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.485 -7.638 -1.841 1.00 0.00 H new ATOM 863 N ILE A 92 12.180 -7.650 -2.880 1.00 0.00 N ATOM 864 CA ILE A 92 13.560 -8.080 -3.110 1.00 0.00 C ATOM 865 C ILE A 92 13.680 -8.610 -4.540 1.00 0.00 C ATOM 866 O ILE A 92 12.960 -9.520 -4.950 1.00 0.00 O ATOM 867 CB ILE A 92 13.990 -9.080 -2.020 1.00 0.00 C ATOM 868 CG1 ILE A 92 14.510 -8.390 -0.770 1.00 0.00 C ATOM 869 CG2 ILE A 92 15.090 -10.060 -2.460 1.00 0.00 C ATOM 870 CD1 ILE A 92 13.530 -7.570 0.050 1.00 0.00 C ATOM 0 H ILE A 92 11.496 -8.407 -2.865 1.00 0.00 H new ATOM 0 HA ILE A 92 14.256 -7.245 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 92 13.071 -9.630 -1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 92 14.934 -9.154 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 92 15.329 -7.734 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 92 15.334 -10.728 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 92 14.737 -10.646 -3.309 1.00 0.00 H new ATOM 0 HG23 ILE A 92 15.980 -9.502 -2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 92 14.045 -7.140 0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.121 -6.769 -0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.720 -8.211 0.397 1.00 0.00 H new ATOM 872 N ASP A 93 14.700 -8.100 -5.200 1.00 0.00 N ATOM 873 CA ASP A 93 15.000 -8.550 -6.560 1.00 0.00 C ATOM 874 C ASP A 93 16.250 -9.420 -6.520 1.00 0.00 C ATOM 875 O ASP A 93 17.350 -8.900 -6.590 1.00 0.00 O ATOM 876 CB ASP A 93 15.200 -7.330 -7.470 1.00 0.00 C ATOM 877 CG ASP A 93 14.300 -7.370 -8.710 1.00 0.00 C ATOM 878 OD1 ASP A 93 13.670 -8.420 -8.960 1.00 0.00 O ATOM 879 OD2 ASP A 93 14.320 -6.350 -9.430 1.00 0.00 O ATOM 0 H ASP A 93 15.330 -7.387 -4.833 1.00 0.00 H new ATOM 0 HA ASP A 93 14.175 -9.138 -6.961 1.00 0.00 H new ATOM 0 HB2 ASP A 93 14.994 -6.421 -6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 93 16.243 -7.281 -7.783 1.00 0.00 H new ATOM 881 N GLN A 94 16.050 -10.730 -6.420 1.00 0.00 N ATOM 882 CA GLN A 94 17.180 -11.690 -6.370 1.00 0.00 C ATOM 883 C GLN A 94 18.160 -11.510 -7.550 1.00 0.00 C ATOM 884 O GLN A 94 19.370 -11.430 -7.360 1.00 0.00 O ATOM 885 CB GLN A 94 16.720 -13.150 -6.360 1.00 0.00 C ATOM 886 CG GLN A 94 15.630 -13.440 -5.320 1.00 0.00 C ATOM 887 CD GLN A 94 14.290 -13.710 -6.020 1.00 0.00 C ATOM 888 OE1 GLN A 94 14.180 -14.450 -6.980 1.00 0.00 O ATOM 889 NE2 GLN A 94 13.230 -13.100 -5.530 1.00 0.00 N ATOM 0 H GLN A 94 15.128 -11.163 -6.371 1.00 0.00 H new ATOM 0 HA GLN A 94 17.687 -11.465 -5.432 1.00 0.00 H new ATOM 0 HB2 GLN A 94 16.346 -13.412 -7.350 1.00 0.00 H new ATOM 0 HB3 GLN A 94 17.579 -13.792 -6.164 1.00 0.00 H new ATOM 0 HG2 GLN A 94 15.913 -14.302 -4.716 1.00 0.00 H new ATOM 0 HG3 GLN A 94 15.530 -12.593 -4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.325 -12.480 -4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.315 -13.247 -5.955 1.00 0.00 H new ATOM 893 N THR A 95 17.560 -11.200 -8.710 1.00 0.00 N ATOM 894 CA THR A 95 18.260 -10.860 -9.960 1.00 0.00 C ATOM 895 C THR A 95 19.230 -9.670 -9.820 1.00 0.00 C ATOM 896 O THR A 95 20.410 -9.750 -10.150 1.00 0.00 O ATOM 897 CB THR A 95 17.280 -10.600 -11.120 1.00 0.00 C ATOM 898 OG1 THR A 95 18.030 -10.140 -12.250 1.00 0.00 O ATOM 899 CG2 THR A 95 16.140 -9.620 -10.800 1.00 0.00 C ATOM 0 H THR A 95 16.545 -11.178 -8.808 1.00 0.00 H new ATOM 0 HA THR A 95 18.859 -11.741 -10.192 1.00 0.00 H new ATOM 0 HB THR A 95 16.779 -11.546 -11.326 1.00 0.00 H new ATOM 0 HG1 THR A 95 17.422 -9.971 -12.999 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.504 -9.502 -11.678 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.547 -10.009 -9.972 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.559 -8.653 -10.523 1.00 0.00 H new ATOM 902 N CYS A 96 18.720 -8.590 -9.230 1.00 0.00 N ATOM 903 CA CYS A 96 19.530 -7.390 -9.010 1.00 0.00 C ATOM 904 C CYS A 96 20.280 -7.560 -7.680 1.00 0.00 C ATOM 905 O CYS A 96 21.520 -7.470 -7.600 1.00 0.00 O ATOM 906 CB CYS A 96 18.610 -6.160 -8.990 1.00 0.00 C ATOM 907 SG CYS A 96 19.560 -4.600 -8.990 1.00 0.00 S ATOM 908 OXT CYS A 96 19.570 -7.810 -6.710 1.00 0.00 O ATOM 0 H CYS A 96 17.758 -8.520 -8.898 1.00 0.00 H new ATOM 0 HA CYS A 96 20.258 -7.248 -9.809 1.00 0.00 H new ATOM 0 HB2 CYS A 96 17.952 -6.184 -9.859 1.00 0.00 H new ATOM 0 HB3 CYS A 96 17.973 -6.197 -8.106 1.00 0.00 H new TER 910 CYS A 96