USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=29 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 32 GLN : amide:sc= -0.995 K(o=-0.79,f=-2!) USER MOD Set 1.2: A 56 THR OG1 : rot -106:sc= 0.208 USER MOD Set 2.1: A 53 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-2.8) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 46 THR OG1 : rot 131:sc= 0.902 USER MOD Set 3.2: A 52 TYR OH : rot -133:sc= -0.512! USER MOD Set 3.3: A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ 179:sc= 1.23 (180deg=1.11) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00957 USER MOD Single : A 9 SER OG : rot -28:sc= 0.0554 USER MOD Single : A 16 THR OG1 : rot -150:sc= -2.62! USER MOD Single : A 18 THR OG1 : rot -131:sc= -2.21! USER MOD Single : A 20 ASN : amide:sc= -0.0083 X(o=-0.0083,f=-0.2) 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 -32:sc=0.000796 USER MOD Single : A 38 GLN : amide:sc= 0.234 K(o=0.23,f=-0.91) USER MOD Single : A 39 ASN : amide:sc= -3.76! C(o=-3.8!,f=-11!) USER MOD Single : A 42 SER OG : rot -50:sc= 0.318 USER MOD Single : A 47 GLN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0056 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 -122:sc= -0.466 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.174 USER MOD Single : A 67 THR OG1 : rot 108:sc= 0.243 USER MOD Single : A 72 THR OG1 : rot -150:sc= 0.83 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.00411 X(o=-0.0041,f=0) USER MOD Single : A 81 TYR OH : rot -130:sc= -0.292 USER MOD Single : A 82 THR OG1 : rot -118:sc= 0.264 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot -55:sc= 0.421! USER MOD Single : A 88 THR OG1 : rot 105:sc= 0.918 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.200 -0.030 -0.010 1.00 0.00 N ATOM 2 CA ASP A 1 2.010 0.050 -1.250 1.00 0.00 C ATOM 3 C ASP A 1 3.060 1.170 -1.200 1.00 0.00 C ATOM 4 O ASP A 1 3.040 2.050 -0.340 1.00 0.00 O ATOM 5 CB ASP A 1 1.080 0.180 -2.460 1.00 0.00 C ATOM 6 CG ASP A 1 0.030 1.270 -2.280 1.00 0.00 C ATOM 7 OD1 ASP A 1 0.430 2.440 -2.090 1.00 0.00 O ATOM 8 OD2 ASP A 1 -1.160 0.900 -2.320 1.00 0.00 O ATOM 0 H1 ASP A 1 0.497 -0.790 -0.103 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.822 -0.231 0.799 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.713 0.875 0.145 1.00 0.00 H new ATOM 0 HA ASP A 1 2.581 -0.874 -1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.674 0.396 -3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 1 0.582 -0.774 -2.634 1.00 0.00 H new ATOM 12 N VAL A 2 3.960 1.120 -2.170 1.00 0.00 N ATOM 13 CA VAL A 2 5.020 2.140 -2.310 1.00 0.00 C ATOM 14 C VAL A 2 4.370 3.370 -2.970 1.00 0.00 C ATOM 15 O VAL A 2 3.690 3.230 -3.990 1.00 0.00 O ATOM 16 CB VAL A 2 6.170 1.620 -3.200 1.00 0.00 C ATOM 17 CG1 VAL A 2 7.460 2.380 -2.910 1.00 0.00 C ATOM 18 CG2 VAL A 2 6.530 0.160 -2.950 1.00 0.00 C ATOM 0 H VAL A 2 3.988 0.388 -2.879 1.00 0.00 H new ATOM 0 HA VAL A 2 5.443 2.384 -1.335 1.00 0.00 H new ATOM 0 HB VAL A 2 5.801 1.754 -4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.258 1.999 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.310 3.441 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.735 2.244 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.345 -0.132 -3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.842 0.035 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.661 -0.468 -3.146 1.00 0.00 H new ATOM 20 N SER A 3 4.660 4.550 -2.420 1.00 0.00 N ATOM 21 CA SER A 3 4.190 5.840 -3.000 1.00 0.00 C ATOM 22 C SER A 3 4.770 6.140 -4.390 1.00 0.00 C ATOM 23 O SER A 3 4.380 7.100 -5.050 1.00 0.00 O ATOM 24 CB SER A 3 4.490 7.020 -2.070 1.00 0.00 C ATOM 25 OG SER A 3 3.530 7.050 -1.010 1.00 0.00 O ATOM 0 H SER A 3 5.218 4.655 -1.573 1.00 0.00 H new ATOM 0 HA SER A 3 3.112 5.719 -3.110 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.496 6.927 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.458 7.955 -2.630 1.00 0.00 H new ATOM 0 HG SER A 3 3.724 7.804 -0.415 1.00 0.00 H new ATOM 28 N GLY A 4 5.720 5.310 -4.790 1.00 0.00 N ATOM 29 CA GLY A 4 6.410 5.390 -6.090 1.00 0.00 C ATOM 30 C GLY A 4 7.920 5.400 -5.860 1.00 0.00 C ATOM 31 O GLY A 4 8.390 5.320 -4.730 1.00 0.00 O ATOM 0 H GLY A 4 6.049 4.537 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.131 4.542 -6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.105 6.292 -6.622 1.00 0.00 H new ATOM 33 N THR A 5 8.640 5.250 -6.950 1.00 0.00 N ATOM 34 CA THR A 5 10.110 5.200 -6.920 1.00 0.00 C ATOM 35 C THR A 5 10.700 6.610 -6.790 1.00 0.00 C ATOM 36 O THR A 5 9.980 7.610 -6.760 1.00 0.00 O ATOM 37 CB THR A 5 10.560 4.490 -8.210 1.00 0.00 C ATOM 38 OG1 THR A 5 9.630 3.450 -8.530 1.00 0.00 O ATOM 39 CG2 THR A 5 11.920 3.810 -8.060 1.00 0.00 C ATOM 0 H THR A 5 8.239 5.159 -7.883 1.00 0.00 H new ATOM 0 HA THR A 5 10.472 4.648 -6.052 1.00 0.00 H new ATOM 0 HB THR A 5 10.616 5.259 -8.981 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.914 2.998 -9.352 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.190 3.325 -8.998 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.674 4.556 -7.807 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.868 3.064 -7.267 1.00 0.00 H new ATOM 42 N VAL A 6 12.000 6.660 -6.590 1.00 0.00 N ATOM 43 CA VAL A 6 12.710 7.920 -6.330 1.00 0.00 C ATOM 44 C VAL A 6 14.100 7.830 -6.970 1.00 0.00 C ATOM 45 O VAL A 6 14.860 6.900 -6.710 1.00 0.00 O ATOM 46 CB VAL A 6 12.680 8.210 -4.820 1.00 0.00 C ATOM 47 CG1 VAL A 6 13.690 7.420 -3.970 1.00 0.00 C ATOM 48 CG2 VAL A 6 12.810 9.710 -4.550 1.00 0.00 C ATOM 0 H VAL A 6 12.604 5.838 -6.601 1.00 0.00 H new ATOM 0 HA VAL A 6 12.230 8.784 -6.790 1.00 0.00 H new ATOM 0 HB VAL A 6 11.703 7.852 -4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.583 7.701 -2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.501 6.352 -4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 6 14.702 7.646 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.786 9.890 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.754 10.073 -4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.983 10.238 -5.025 1.00 0.00 H new ATOM 50 N CYS A 7 14.230 8.590 -8.050 1.00 0.00 N ATOM 51 CA CYS A 7 15.500 8.670 -8.780 1.00 0.00 C ATOM 52 C CYS A 7 16.690 8.780 -7.830 1.00 0.00 C ATOM 53 O CYS A 7 16.600 9.440 -6.800 1.00 0.00 O ATOM 54 CB CYS A 7 15.470 9.870 -9.730 1.00 0.00 C ATOM 55 SG CYS A 7 14.420 9.540 -11.190 1.00 0.00 S ATOM 0 H CYS A 7 13.480 9.159 -8.442 1.00 0.00 H new ATOM 0 HA CYS A 7 15.621 7.751 -9.353 1.00 0.00 H new ATOM 0 HB2 CYS A 7 15.095 10.746 -9.201 1.00 0.00 H new ATOM 0 HB3 CYS A 7 16.484 10.104 -10.055 1.00 0.00 H new ATOM 57 N LEU A 8 17.750 8.060 -8.150 1.00 0.00 N ATOM 58 CA LEU A 8 18.940 8.070 -7.280 1.00 0.00 C ATOM 59 C LEU A 8 19.530 9.480 -7.130 1.00 0.00 C ATOM 60 O LEU A 8 19.790 9.920 -6.010 1.00 0.00 O ATOM 61 CB LEU A 8 20.020 7.100 -7.750 1.00 0.00 C ATOM 62 CG LEU A 8 20.690 6.270 -6.650 1.00 0.00 C ATOM 63 CD1 LEU A 8 22.160 6.160 -7.050 1.00 0.00 C ATOM 64 CD2 LEU A 8 20.630 6.810 -5.210 1.00 0.00 C ATOM 0 H LEU A 8 17.825 7.472 -8.980 1.00 0.00 H new ATOM 0 HA LEU A 8 18.593 7.734 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.579 6.418 -8.477 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.790 7.668 -8.272 1.00 0.00 H new ATOM 0 HG LEU A 8 20.135 5.333 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 8 22.698 5.576 -6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 8 22.237 5.668 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 8 22.595 7.157 -7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.144 6.120 -4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.114 7.786 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 8 19.589 6.907 -4.901 1.00 0.00 H new ATOM 66 N SER A 9 19.400 10.250 -8.210 1.00 0.00 N ATOM 67 CA SER A 9 19.780 11.680 -8.260 1.00 0.00 C ATOM 68 C SER A 9 18.830 12.580 -7.440 1.00 0.00 C ATOM 69 O SER A 9 19.140 13.720 -7.130 1.00 0.00 O ATOM 70 CB SER A 9 19.830 12.150 -9.720 1.00 0.00 C ATOM 71 OG SER A 9 20.390 13.460 -9.790 1.00 0.00 O ATOM 0 H SER A 9 19.024 9.903 -9.092 1.00 0.00 H new ATOM 0 HA SER A 9 20.767 11.770 -7.805 1.00 0.00 H new ATOM 0 HB2 SER A 9 20.427 11.458 -10.314 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.826 12.151 -10.145 1.00 0.00 H new ATOM 0 HG SER A 9 20.211 13.937 -8.953 1.00 0.00 H new ATOM 74 N ALA A 10 17.660 12.040 -7.090 1.00 0.00 N ATOM 75 CA ALA A 10 16.670 12.730 -6.240 1.00 0.00 C ATOM 76 C ALA A 10 17.060 12.680 -4.750 1.00 0.00 C ATOM 77 O ALA A 10 16.860 13.630 -4.000 1.00 0.00 O ATOM 78 CB ALA A 10 15.280 12.130 -6.440 1.00 0.00 C ATOM 0 H ALA A 10 17.366 11.109 -7.386 1.00 0.00 H new ATOM 0 HA ALA A 10 16.654 13.776 -6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.564 12.652 -5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.985 12.236 -7.484 1.00 0.00 H new ATOM 0 HB3 ALA A 10 15.298 11.073 -6.174 1.00 0.00 H new ATOM 80 N LEU A 11 17.620 11.540 -4.350 1.00 0.00 N ATOM 81 CA LEU A 11 18.100 11.280 -2.980 1.00 0.00 C ATOM 82 C LEU A 11 19.460 11.960 -2.730 1.00 0.00 C ATOM 83 O LEU A 11 20.120 12.380 -3.690 1.00 0.00 O ATOM 84 CB LEU A 11 18.270 9.770 -2.860 1.00 0.00 C ATOM 85 CG LEU A 11 16.990 9.010 -3.190 1.00 0.00 C ATOM 86 CD1 LEU A 11 17.380 7.790 -4.010 1.00 0.00 C ATOM 87 CD2 LEU A 11 16.220 8.640 -1.930 1.00 0.00 C ATOM 0 H LEU A 11 17.759 10.749 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 11 17.392 11.675 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 11 19.066 9.443 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 11 18.584 9.522 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 11 16.313 9.638 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 11 16.485 7.221 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.878 8.111 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.056 7.162 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.314 8.100 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 11 16.842 8.008 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.952 9.547 -1.388 1.00 0.00 H new ATOM 89 N PRO A 12 19.920 12.070 -1.470 1.00 0.00 N ATOM 90 CA PRO A 12 21.240 12.650 -1.150 1.00 0.00 C ATOM 91 C PRO A 12 22.430 11.780 -1.640 1.00 0.00 C ATOM 92 O PRO A 12 22.230 10.610 -1.970 1.00 0.00 O ATOM 93 CB PRO A 12 21.180 12.860 0.370 1.00 0.00 C ATOM 94 CG PRO A 12 20.230 11.800 0.880 1.00 0.00 C ATOM 95 CD PRO A 12 19.180 11.740 -0.230 1.00 0.00 C ATOM 0 HA PRO A 12 21.431 13.586 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 12 22.167 12.754 0.821 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.823 13.860 0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 12 20.729 10.841 1.020 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.792 12.075 1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.726 10.751 -0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.373 12.450 -0.050 1.00 0.00 H new ATOM 96 N PRO A 13 23.680 12.280 -1.600 1.00 0.00 N ATOM 97 CA PRO A 13 24.870 11.470 -1.960 1.00 0.00 C ATOM 98 C PRO A 13 25.180 10.360 -0.950 1.00 0.00 C ATOM 99 O PRO A 13 25.800 9.350 -1.280 1.00 0.00 O ATOM 100 CB PRO A 13 26.010 12.480 -2.080 1.00 0.00 C ATOM 101 CG PRO A 13 25.620 13.610 -1.130 1.00 0.00 C ATOM 102 CD PRO A 13 24.090 13.640 -1.170 1.00 0.00 C ATOM 0 HA PRO A 13 24.705 10.925 -2.889 1.00 0.00 H new ATOM 0 HB2 PRO A 13 26.965 12.036 -1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 13 26.115 12.840 -3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 13 25.986 13.423 -0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 13 26.043 14.562 -1.451 1.00 0.00 H new ATOM 0 HD2 PRO A 13 23.676 13.884 -0.192 1.00 0.00 H new ATOM 0 HD3 PRO A 13 23.730 14.397 -1.866 1.00 0.00 H new ATOM 103 N GLU A 14 24.580 10.470 0.240 1.00 0.00 N ATOM 104 CA GLU A 14 24.720 9.480 1.330 1.00 0.00 C ATOM 105 C GLU A 14 23.600 8.440 1.310 1.00 0.00 C ATOM 106 O GLU A 14 23.620 7.480 2.070 1.00 0.00 O ATOM 107 CB GLU A 14 24.760 10.160 2.710 1.00 0.00 C ATOM 108 CG GLU A 14 25.300 11.590 2.660 1.00 0.00 C ATOM 109 CD GLU A 14 26.060 12.040 3.910 1.00 0.00 C ATOM 110 OE1 GLU A 14 25.800 11.500 5.000 1.00 0.00 O ATOM 111 OE2 GLU A 14 26.810 13.020 3.730 1.00 0.00 O ATOM 0 H GLU A 14 23.976 11.255 0.483 1.00 0.00 H new ATOM 0 HA GLU A 14 25.668 8.970 1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 14 23.755 10.172 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 14 25.380 9.567 3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 14 25.961 11.682 1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 14 24.465 12.272 2.496 1.00 0.00 H new ATOM 113 N ALA A 15 22.760 8.540 0.270 1.00 0.00 N ATOM 114 CA ALA A 15 21.660 7.600 0.010 1.00 0.00 C ATOM 115 C ALA A 15 22.150 6.320 -0.680 1.00 0.00 C ATOM 116 O ALA A 15 21.990 5.220 -0.150 1.00 0.00 O ATOM 117 CB ALA A 15 20.550 8.240 -0.800 1.00 0.00 C ATOM 0 H ALA A 15 22.826 9.285 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 15 21.255 7.325 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.757 7.512 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 15 20.148 9.094 -0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 15 20.946 8.575 -1.759 1.00 0.00 H new ATOM 119 N THR A 16 22.950 6.530 -1.730 1.00 0.00 N ATOM 120 CA THR A 16 23.620 5.430 -2.450 1.00 0.00 C ATOM 121 C THR A 16 24.520 4.590 -1.540 1.00 0.00 C ATOM 122 O THR A 16 24.780 3.430 -1.830 1.00 0.00 O ATOM 123 CB THR A 16 24.330 5.940 -3.720 1.00 0.00 C ATOM 124 OG1 THR A 16 23.890 5.090 -4.770 1.00 0.00 O ATOM 125 CG2 THR A 16 25.870 5.960 -3.700 1.00 0.00 C ATOM 0 H THR A 16 23.153 7.456 -2.106 1.00 0.00 H new ATOM 0 HA THR A 16 22.845 4.742 -2.787 1.00 0.00 H new ATOM 0 HB THR A 16 24.066 6.992 -3.832 1.00 0.00 H new ATOM 0 HG1 THR A 16 24.593 5.018 -5.449 1.00 0.00 H new ATOM 0 HG21 THR A 16 26.241 6.339 -4.652 1.00 0.00 H new ATOM 0 HG22 THR A 16 26.215 6.606 -2.893 1.00 0.00 H new ATOM 0 HG23 THR A 16 26.245 4.949 -3.541 1.00 0.00 H new ATOM 128 N ASP A 17 24.950 5.200 -0.430 1.00 0.00 N ATOM 129 CA ASP A 17 25.810 4.570 0.580 1.00 0.00 C ATOM 130 C ASP A 17 25.240 3.210 0.990 1.00 0.00 C ATOM 131 O ASP A 17 25.850 2.190 0.700 1.00 0.00 O ATOM 132 CB ASP A 17 25.910 5.460 1.820 1.00 0.00 C ATOM 133 CG ASP A 17 27.070 5.080 2.740 1.00 0.00 C ATOM 134 OD1 ASP A 17 27.160 3.890 3.110 1.00 0.00 O ATOM 135 OD2 ASP A 17 27.850 6.000 3.040 1.00 0.00 O ATOM 0 H ASP A 17 24.706 6.164 -0.203 1.00 0.00 H new ATOM 0 HA ASP A 17 26.801 4.434 0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 17 26.028 6.497 1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 17 24.976 5.400 2.379 1.00 0.00 H new ATOM 137 N THR A 18 24.010 3.200 1.480 1.00 0.00 N ATOM 138 CA THR A 18 23.330 1.950 1.860 1.00 0.00 C ATOM 139 C THR A 18 23.250 0.950 0.710 1.00 0.00 C ATOM 140 O THR A 18 23.600 -0.210 0.890 1.00 0.00 O ATOM 141 CB THR A 18 21.960 2.280 2.430 1.00 0.00 C ATOM 142 OG1 THR A 18 22.180 2.970 3.640 1.00 0.00 O ATOM 143 CG2 THR A 18 21.120 1.050 2.720 1.00 0.00 C ATOM 0 H THR A 18 23.452 4.041 1.628 1.00 0.00 H new ATOM 0 HA THR A 18 23.924 1.455 2.628 1.00 0.00 H new ATOM 0 HB THR A 18 21.410 2.867 1.694 1.00 0.00 H new ATOM 0 HG1 THR A 18 21.626 2.577 4.346 1.00 0.00 H new ATOM 0 HG21 THR A 18 20.155 1.355 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 18 20.966 0.489 1.798 1.00 0.00 H new ATOM 0 HG23 THR A 18 21.635 0.421 3.446 1.00 0.00 H new ATOM 146 N LEU A 19 22.800 1.410 -0.440 1.00 0.00 N ATOM 147 CA LEU A 19 22.710 0.560 -1.650 1.00 0.00 C ATOM 148 C LEU A 19 24.070 -0.080 -2.000 1.00 0.00 C ATOM 149 O LEU A 19 24.130 -1.290 -2.210 1.00 0.00 O ATOM 150 CB LEU A 19 22.200 1.380 -2.830 1.00 0.00 C ATOM 151 CG LEU A 19 21.100 2.390 -2.490 1.00 0.00 C ATOM 152 CD1 LEU A 19 20.630 2.990 -3.800 1.00 0.00 C ATOM 153 CD2 LEU A 19 19.910 1.810 -1.710 1.00 0.00 C ATOM 0 H LEU A 19 22.485 2.370 -0.580 1.00 0.00 H new ATOM 0 HA LEU A 19 22.007 -0.246 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 19 23.041 1.916 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.823 0.697 -3.591 1.00 0.00 H new ATOM 0 HG LEU A 19 21.526 3.135 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.843 3.718 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.466 3.483 -4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.242 2.200 -4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 19 19.183 2.599 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 19 19.440 1.021 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 19 20.261 1.399 -0.764 1.00 0.00 H new ATOM 155 N ASN A 20 25.130 0.680 -1.760 1.00 0.00 N ATOM 156 CA ASN A 20 26.520 0.210 -1.890 1.00 0.00 C ATOM 157 C ASN A 20 26.850 -0.820 -0.820 1.00 0.00 C ATOM 158 O ASN A 20 27.420 -1.850 -1.130 1.00 0.00 O ATOM 159 CB ASN A 20 27.480 1.380 -1.710 1.00 0.00 C ATOM 160 CG ASN A 20 28.580 1.390 -2.760 1.00 0.00 C ATOM 161 OD1 ASN A 20 29.020 0.380 -3.290 1.00 0.00 O ATOM 162 ND2 ASN A 20 28.990 2.590 -3.090 1.00 0.00 N ATOM 0 H ASN A 20 25.057 1.654 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 20 26.625 -0.236 -2.879 1.00 0.00 H new ATOM 0 HB2 ASN A 20 26.923 2.316 -1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 20 27.928 1.330 -0.718 1.00 0.00 H new ATOM 0 HD21 ASN A 20 29.701 2.705 -3.812 1.00 0.00 H new ATOM 0 HD22 ASN A 20 28.598 3.409 -2.624 1.00 0.00 H new ATOM 166 N LEU A 21 26.350 -0.620 0.390 1.00 0.00 N ATOM 167 CA LEU A 21 26.500 -1.580 1.480 1.00 0.00 C ATOM 168 C LEU A 21 25.680 -2.850 1.210 1.00 0.00 C ATOM 169 O LEU A 21 26.130 -3.920 1.560 1.00 0.00 O ATOM 170 CB LEU A 21 26.020 -0.920 2.770 1.00 0.00 C ATOM 171 CG LEU A 21 26.650 0.420 3.170 1.00 0.00 C ATOM 172 CD1 LEU A 21 25.830 1.040 4.300 1.00 0.00 C ATOM 173 CD2 LEU A 21 28.110 0.280 3.560 1.00 0.00 C ATOM 0 H LEU A 21 25.826 0.216 0.648 1.00 0.00 H new ATOM 0 HA LEU A 21 27.547 -1.869 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 21 24.943 -0.772 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.184 -1.623 3.586 1.00 0.00 H new ATOM 0 HG LEU A 21 26.633 1.080 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 21 26.272 1.993 4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 21 24.807 1.203 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 21 25.825 0.367 5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 21 28.509 1.257 3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 21 28.196 -0.399 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 21 28.675 -0.119 2.717 1.00 0.00 H new ATOM 175 N ILE A 22 24.510 -2.770 0.580 1.00 0.00 N ATOM 176 CA ILE A 22 23.740 -3.960 0.150 1.00 0.00 C ATOM 177 C ILE A 22 24.440 -4.690 -1.010 1.00 0.00 C ATOM 178 O ILE A 22 24.490 -5.920 -1.040 1.00 0.00 O ATOM 179 CB ILE A 22 22.280 -3.580 -0.160 1.00 0.00 C ATOM 180 CG1 ILE A 22 21.560 -3.380 1.160 1.00 0.00 C ATOM 181 CG2 ILE A 22 21.500 -4.580 -1.020 1.00 0.00 C ATOM 182 CD1 ILE A 22 21.130 -1.930 1.290 1.00 0.00 C ATOM 0 H ILE A 22 24.060 -1.884 0.348 1.00 0.00 H new ATOM 0 HA ILE A 22 23.707 -4.673 0.973 1.00 0.00 H new ATOM 0 HB ILE A 22 22.322 -2.673 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 22 20.690 -4.034 1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 22 22.215 -3.651 1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 22 20.486 -4.213 -1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 22 21.996 -4.696 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 22 21.463 -5.544 -0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 22 20.613 -1.788 2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 22 22.008 -1.285 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 22 20.460 -1.674 0.469 1.00 0.00 H new ATOM 184 N ALA A 23 24.970 -3.900 -1.930 1.00 0.00 N ATOM 185 CA ALA A 23 25.680 -4.400 -3.120 1.00 0.00 C ATOM 186 C ALA A 23 27.060 -5.000 -2.770 1.00 0.00 C ATOM 187 O ALA A 23 27.370 -6.120 -3.170 1.00 0.00 O ATOM 188 CB ALA A 23 25.850 -3.270 -4.140 1.00 0.00 C ATOM 0 H ALA A 23 24.925 -2.882 -1.881 1.00 0.00 H new ATOM 0 HA ALA A 23 25.074 -5.199 -3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 23 26.376 -3.648 -5.017 1.00 0.00 H new ATOM 0 HB2 ALA A 23 24.870 -2.898 -4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 23 26.426 -2.460 -3.693 1.00 0.00 H new ATOM 190 N SER A 24 27.770 -4.310 -1.890 1.00 0.00 N ATOM 191 CA SER A 24 29.100 -4.730 -1.380 1.00 0.00 C ATOM 192 C SER A 24 28.970 -5.550 -0.090 1.00 0.00 C ATOM 193 O SER A 24 29.960 -5.900 0.540 1.00 0.00 O ATOM 194 CB SER A 24 29.960 -3.490 -1.100 1.00 0.00 C ATOM 195 OG SER A 24 31.270 -3.690 -1.620 1.00 0.00 O ATOM 0 H SER A 24 27.448 -3.427 -1.494 1.00 0.00 H new ATOM 0 HA SER A 24 29.570 -5.353 -2.141 1.00 0.00 H new ATOM 0 HB2 SER A 24 29.507 -2.610 -1.557 1.00 0.00 H new ATOM 0 HB3 SER A 24 30.008 -3.303 -0.027 1.00 0.00 H new ATOM 0 HG SER A 24 31.817 -2.897 -1.442 1.00 0.00 H new ATOM 198 N ASP A 25 27.720 -5.890 0.280 1.00 0.00 N ATOM 199 CA ASP A 25 27.370 -6.640 1.500 1.00 0.00 C ATOM 200 C ASP A 25 28.220 -6.210 2.710 1.00 0.00 C ATOM 201 O ASP A 25 28.890 -7.000 3.380 1.00 0.00 O ATOM 202 CB ASP A 25 27.460 -8.140 1.160 1.00 0.00 C ATOM 203 CG ASP A 25 26.560 -8.990 2.050 1.00 0.00 C ATOM 204 OD1 ASP A 25 25.570 -8.440 2.600 1.00 0.00 O ATOM 205 OD2 ASP A 25 26.820 -10.210 2.100 1.00 0.00 O ATOM 0 H ASP A 25 26.903 -5.643 -0.278 1.00 0.00 H new ATOM 0 HA ASP A 25 26.351 -6.417 1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 25 27.183 -8.291 0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 25 28.492 -8.473 1.267 1.00 0.00 H new ATOM 207 N GLY A 26 28.200 -4.900 2.910 1.00 0.00 N ATOM 208 CA GLY A 26 29.020 -4.190 3.900 1.00 0.00 C ATOM 209 C GLY A 26 30.440 -3.830 3.450 1.00 0.00 C ATOM 210 O GLY A 26 30.710 -3.740 2.250 1.00 0.00 O ATOM 0 H GLY A 26 27.596 -4.276 2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 26 28.504 -3.272 4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 26 29.088 -4.805 4.797 1.00 0.00 H new ATOM 212 N PRO A 27 31.270 -3.480 4.450 1.00 0.00 N ATOM 213 CA PRO A 27 30.910 -3.370 5.870 1.00 0.00 C ATOM 214 C PRO A 27 30.070 -2.120 6.150 1.00 0.00 C ATOM 215 O PRO A 27 30.170 -1.110 5.450 1.00 0.00 O ATOM 216 CB PRO A 27 32.230 -3.360 6.630 1.00 0.00 C ATOM 217 CG PRO A 27 33.230 -2.780 5.630 1.00 0.00 C ATOM 218 CD PRO A 27 32.700 -3.170 4.240 1.00 0.00 C ATOM 0 HA PRO A 27 30.283 -4.203 6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 27 32.167 -2.749 7.531 1.00 0.00 H new ATOM 0 HB3 PRO A 27 32.517 -4.363 6.944 1.00 0.00 H new ATOM 0 HG2 PRO A 27 33.303 -1.697 5.732 1.00 0.00 H new ATOM 0 HG3 PRO A 27 34.229 -3.184 5.796 1.00 0.00 H new ATOM 0 HD2 PRO A 27 32.827 -2.356 3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 27 33.236 -4.031 3.840 1.00 0.00 H new ATOM 219 N PHE A 28 29.110 -2.310 7.030 1.00 0.00 N ATOM 220 CA PHE A 28 28.150 -1.250 7.370 1.00 0.00 C ATOM 221 C PHE A 28 28.600 -0.470 8.610 1.00 0.00 C ATOM 222 O PHE A 28 29.050 -1.080 9.580 1.00 0.00 O ATOM 223 CB PHE A 28 26.780 -1.870 7.620 1.00 0.00 C ATOM 224 CG PHE A 28 26.130 -2.600 6.440 1.00 0.00 C ATOM 225 CD1 PHE A 28 26.520 -3.920 6.130 1.00 0.00 C ATOM 226 CD2 PHE A 28 25.020 -2.010 5.790 1.00 0.00 C ATOM 227 CE1 PHE A 28 25.840 -4.630 5.120 1.00 0.00 C ATOM 228 CE2 PHE A 28 24.320 -2.740 4.810 1.00 0.00 C ATOM 229 CZ PHE A 28 24.760 -4.030 4.450 1.00 0.00 C ATOM 0 H PHE A 28 28.963 -3.186 7.531 1.00 0.00 H new ATOM 0 HA PHE A 28 28.096 -0.553 6.534 1.00 0.00 H new ATOM 0 HB2 PHE A 28 26.871 -2.574 8.447 1.00 0.00 H new ATOM 0 HB3 PHE A 28 26.103 -1.080 7.946 1.00 0.00 H new ATOM 0 HD1 PHE A 28 27.336 -4.384 6.664 1.00 0.00 H new ATOM 0 HD2 PHE A 28 24.712 -1.007 6.044 1.00 0.00 H new ATOM 0 HE1 PHE A 28 26.148 -5.632 4.862 1.00 0.00 H new ATOM 0 HE2 PHE A 28 23.449 -2.313 4.336 1.00 0.00 H new ATOM 0 HZ PHE A 28 24.263 -4.562 3.652 1.00 0.00 H new ATOM 231 N PRO A 29 28.550 0.870 8.530 1.00 0.00 N ATOM 232 CA PRO A 29 29.000 1.750 9.630 1.00 0.00 C ATOM 233 C PRO A 29 27.980 1.770 10.780 1.00 0.00 C ATOM 234 O PRO A 29 28.300 1.370 11.900 1.00 0.00 O ATOM 235 CB PRO A 29 29.230 3.110 8.980 1.00 0.00 C ATOM 236 CG PRO A 29 28.380 3.110 7.710 1.00 0.00 C ATOM 237 CD PRO A 29 28.160 1.650 7.340 1.00 0.00 C ATOM 0 HA PRO A 29 29.918 1.402 10.104 1.00 0.00 H new ATOM 0 HB2 PRO A 29 28.935 3.919 9.649 1.00 0.00 H new ATOM 0 HB3 PRO A 29 30.284 3.259 8.746 1.00 0.00 H new ATOM 0 HG2 PRO A 29 27.429 3.615 7.879 1.00 0.00 H new ATOM 0 HG3 PRO A 29 28.885 3.643 6.905 1.00 0.00 H new ATOM 0 HD2 PRO A 29 27.118 1.466 7.076 1.00 0.00 H new ATOM 0 HD3 PRO A 29 28.762 1.371 6.475 1.00 0.00 H new ATOM 238 N TYR A 30 26.760 2.190 10.470 1.00 0.00 N ATOM 239 CA TYR A 30 25.640 2.180 11.420 1.00 0.00 C ATOM 240 C TYR A 30 25.310 0.770 11.920 1.00 0.00 C ATOM 241 O TYR A 30 25.680 -0.230 11.310 1.00 0.00 O ATOM 242 CB TYR A 30 24.410 2.830 10.780 1.00 0.00 C ATOM 243 CG TYR A 30 24.310 4.340 11.020 1.00 0.00 C ATOM 244 CD1 TYR A 30 25.390 5.100 11.530 1.00 0.00 C ATOM 245 CD2 TYR A 30 23.070 4.950 10.740 1.00 0.00 C ATOM 246 CE1 TYR A 30 25.240 6.480 11.760 1.00 0.00 C ATOM 247 CE2 TYR A 30 22.910 6.330 10.950 1.00 0.00 C ATOM 248 CZ TYR A 30 23.990 7.080 11.460 1.00 0.00 C ATOM 249 OH TYR A 30 23.840 8.410 11.670 1.00 0.00 O ATOM 0 H TYR A 30 26.512 2.550 9.549 1.00 0.00 H new ATOM 0 HA TYR A 30 25.943 2.758 12.293 1.00 0.00 H new ATOM 0 HB2 TYR A 30 24.430 2.643 9.706 1.00 0.00 H new ATOM 0 HB3 TYR A 30 23.513 2.350 11.171 1.00 0.00 H new ATOM 0 HD1 TYR A 30 26.333 4.619 11.743 1.00 0.00 H new ATOM 0 HD2 TYR A 30 22.247 4.359 10.366 1.00 0.00 H new ATOM 0 HE1 TYR A 30 26.056 7.067 12.155 1.00 0.00 H new ATOM 0 HE2 TYR A 30 21.970 6.811 10.723 1.00 0.00 H new ATOM 0 HH TYR A 30 22.932 8.681 11.419 1.00 0.00 H new ATOM 252 N SER A 31 24.660 0.720 13.080 1.00 0.00 N ATOM 253 CA SER A 31 24.180 -0.560 13.650 1.00 0.00 C ATOM 254 C SER A 31 22.900 -1.060 12.960 1.00 0.00 C ATOM 255 O SER A 31 22.490 -2.220 13.080 1.00 0.00 O ATOM 256 CB SER A 31 23.950 -0.390 15.160 1.00 0.00 C ATOM 257 OG SER A 31 23.700 -1.670 15.740 1.00 0.00 O ATOM 0 H SER A 31 24.449 1.539 13.649 1.00 0.00 H new ATOM 0 HA SER A 31 24.946 -1.316 13.477 1.00 0.00 H new ATOM 0 HB2 SER A 31 24.823 0.069 15.624 1.00 0.00 H new ATOM 0 HB3 SER A 31 23.106 0.276 15.339 1.00 0.00 H new ATOM 0 HG SER A 31 23.242 -2.241 15.088 1.00 0.00 H new ATOM 260 N GLN A 32 22.310 -0.190 12.140 1.00 0.00 N ATOM 261 CA GLN A 32 21.070 -0.480 11.420 1.00 0.00 C ATOM 262 C GLN A 32 21.330 -1.070 10.040 1.00 0.00 C ATOM 263 O GLN A 32 21.510 -0.350 9.050 1.00 0.00 O ATOM 264 CB GLN A 32 20.270 0.790 11.320 1.00 0.00 C ATOM 265 CG GLN A 32 19.010 0.610 12.170 1.00 0.00 C ATOM 266 CD GLN A 32 18.730 1.880 12.960 1.00 0.00 C ATOM 267 OE1 GLN A 32 18.810 1.910 14.180 1.00 0.00 O ATOM 268 NE2 GLN A 32 18.490 2.940 12.240 1.00 0.00 N ATOM 0 H GLN A 32 22.682 0.742 11.956 1.00 0.00 H new ATOM 0 HA GLN A 32 20.510 -1.234 11.973 1.00 0.00 H new ATOM 0 HB2 GLN A 32 20.854 1.639 11.675 1.00 0.00 H new ATOM 0 HB3 GLN A 32 20.006 0.996 10.283 1.00 0.00 H new ATOM 0 HG2 GLN A 32 18.160 0.375 11.530 1.00 0.00 H new ATOM 0 HG3 GLN A 32 19.138 -0.231 12.851 1.00 0.00 H new ATOM 0 HE21 GLN A 32 18.432 2.864 11.224 1.00 0.00 H new ATOM 0 HE22 GLN A 32 18.360 3.845 12.692 1.00 0.00 H new ATOM 272 N ASP A 33 21.450 -2.390 10.090 1.00 0.00 N ATOM 273 CA ASP A 33 21.810 -3.250 8.950 1.00 0.00 C ATOM 274 C ASP A 33 22.060 -4.710 9.320 1.00 0.00 C ATOM 275 O ASP A 33 22.840 -5.020 10.210 1.00 0.00 O ATOM 276 CB ASP A 33 23.060 -2.760 8.250 1.00 0.00 C ATOM 277 CG ASP A 33 24.160 -2.310 9.210 1.00 0.00 C ATOM 278 OD1 ASP A 33 24.930 -3.190 9.640 1.00 0.00 O ATOM 279 OD2 ASP A 33 24.260 -1.070 9.350 1.00 0.00 O ATOM 0 H ASP A 33 21.296 -2.917 10.949 1.00 0.00 H new ATOM 0 HA ASP A 33 20.937 -3.193 8.300 1.00 0.00 H new ATOM 0 HB2 ASP A 33 23.447 -3.557 7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 33 22.798 -1.929 7.595 1.00 0.00 H new ATOM 281 N GLY A 34 21.500 -5.570 8.470 1.00 0.00 N ATOM 282 CA GLY A 34 21.600 -7.040 8.610 1.00 0.00 C ATOM 283 C GLY A 34 20.450 -7.610 9.450 1.00 0.00 C ATOM 284 O GLY A 34 20.560 -8.640 10.090 1.00 0.00 O ATOM 0 H GLY A 34 20.959 -5.275 7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 34 21.592 -7.501 7.622 1.00 0.00 H new ATOM 0 HA3 GLY A 34 22.552 -7.297 9.074 1.00 0.00 H new ATOM 286 N VAL A 35 19.330 -6.890 9.380 1.00 0.00 N ATOM 287 CA VAL A 35 18.080 -7.240 10.080 1.00 0.00 C ATOM 288 C VAL A 35 16.940 -7.360 9.070 1.00 0.00 C ATOM 289 O VAL A 35 16.950 -6.650 8.070 1.00 0.00 O ATOM 290 CB VAL A 35 17.760 -6.190 11.170 1.00 0.00 C ATOM 291 CG1 VAL A 35 18.730 -6.310 12.340 1.00 0.00 C ATOM 292 CG2 VAL A 35 17.770 -4.740 10.660 1.00 0.00 C ATOM 0 H VAL A 35 19.258 -6.034 8.830 1.00 0.00 H new ATOM 0 HA VAL A 35 18.201 -8.203 10.576 1.00 0.00 H new ATOM 0 HB VAL A 35 16.743 -6.413 11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 35 18.485 -5.562 13.094 1.00 0.00 H new ATOM 0 HG12 VAL A 35 18.651 -7.305 12.778 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.748 -6.149 11.986 1.00 0.00 H new ATOM 0 HG21 VAL A 35 17.537 -4.063 11.482 1.00 0.00 H new ATOM 0 HG22 VAL A 35 18.756 -4.501 10.262 1.00 0.00 H new ATOM 0 HG23 VAL A 35 17.024 -4.626 9.874 1.00 0.00 H new ATOM 294 N VAL A 36 16.020 -8.270 9.360 1.00 0.00 N ATOM 295 CA VAL A 36 14.810 -8.540 8.560 1.00 0.00 C ATOM 296 C VAL A 36 13.720 -7.520 8.910 1.00 0.00 C ATOM 297 O VAL A 36 13.680 -6.960 10.000 1.00 0.00 O ATOM 298 CB VAL A 36 14.370 -10.010 8.730 1.00 0.00 C ATOM 299 CG1 VAL A 36 12.920 -10.330 8.330 1.00 0.00 C ATOM 300 CG2 VAL A 36 15.280 -10.930 7.920 1.00 0.00 C ATOM 0 H VAL A 36 16.088 -8.866 10.185 1.00 0.00 H new ATOM 0 HA VAL A 36 15.022 -8.415 7.498 1.00 0.00 H new ATOM 0 HB VAL A 36 14.444 -10.179 9.804 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.723 -11.390 8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.236 -9.737 8.937 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.772 -10.090 7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 36 14.959 -11.964 8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 36 15.224 -10.661 6.865 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.308 -10.823 8.267 1.00 0.00 H new ATOM 302 N PHE A 37 12.810 -7.350 7.960 1.00 0.00 N ATOM 303 CA PHE A 37 11.640 -6.480 8.140 1.00 0.00 C ATOM 304 C PHE A 37 10.400 -7.150 7.530 1.00 0.00 C ATOM 305 O PHE A 37 10.050 -6.830 6.400 1.00 0.00 O ATOM 306 CB PHE A 37 11.950 -5.140 7.450 1.00 0.00 C ATOM 307 CG PHE A 37 10.820 -4.100 7.540 1.00 0.00 C ATOM 308 CD1 PHE A 37 10.370 -3.650 8.790 1.00 0.00 C ATOM 309 CD2 PHE A 37 10.190 -3.660 6.360 1.00 0.00 C ATOM 310 CE1 PHE A 37 9.270 -2.770 8.880 1.00 0.00 C ATOM 311 CE2 PHE A 37 9.110 -2.760 6.420 1.00 0.00 C ATOM 312 CZ PHE A 37 8.650 -2.330 7.690 1.00 0.00 C ATOM 0 H PHE A 37 12.855 -7.804 7.048 1.00 0.00 H new ATOM 0 HA PHE A 37 11.432 -6.308 9.196 1.00 0.00 H new ATOM 0 HB2 PHE A 37 12.852 -4.718 7.893 1.00 0.00 H new ATOM 0 HB3 PHE A 37 12.170 -5.329 6.399 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.869 -3.979 9.690 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.538 -4.016 5.402 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.909 -2.439 9.842 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.640 -2.403 5.515 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.810 -1.654 7.749 1.00 0.00 H new ATOM 314 N GLN A 38 9.700 -8.000 8.270 1.00 0.00 N ATOM 315 CA GLN A 38 8.490 -8.690 7.740 1.00 0.00 C ATOM 316 C GLN A 38 7.290 -7.750 7.520 1.00 0.00 C ATOM 317 O GLN A 38 6.190 -7.950 8.040 1.00 0.00 O ATOM 318 CB GLN A 38 8.090 -9.830 8.670 1.00 0.00 C ATOM 319 CG GLN A 38 7.220 -10.800 7.860 1.00 0.00 C ATOM 320 CD GLN A 38 5.790 -11.030 8.330 1.00 0.00 C ATOM 321 OE1 GLN A 38 5.350 -10.670 9.410 1.00 0.00 O ATOM 322 NE2 GLN A 38 5.040 -11.700 7.480 1.00 0.00 N ATOM 0 H GLN A 38 9.932 -8.239 9.234 1.00 0.00 H new ATOM 0 HA GLN A 38 8.764 -9.078 6.759 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.974 -10.338 9.056 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.540 -9.448 9.530 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.181 -10.438 6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.725 -11.766 7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.424 -11.993 6.582 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.075 -11.926 7.720 1.00 0.00 H new ATOM 326 N ASN A 39 7.550 -6.680 6.780 1.00 0.00 N ATOM 327 CA ASN A 39 6.660 -5.540 6.530 1.00 0.00 C ATOM 328 C ASN A 39 5.760 -5.320 7.750 1.00 0.00 C ATOM 329 O ASN A 39 4.540 -5.490 7.680 1.00 0.00 O ATOM 330 CB ASN A 39 5.920 -5.810 5.220 1.00 0.00 C ATOM 331 CG ASN A 39 5.120 -4.600 4.750 1.00 0.00 C ATOM 332 OD1 ASN A 39 5.340 -3.450 5.120 1.00 0.00 O ATOM 333 ND2 ASN A 39 4.150 -4.870 3.900 1.00 0.00 N ATOM 0 H ASN A 39 8.446 -6.573 6.304 1.00 0.00 H new ATOM 0 HA ASN A 39 7.199 -4.601 6.403 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.639 -6.090 4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.248 -6.658 5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.566 -4.117 3.537 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.984 -5.832 3.605 1.00 0.00 H new ATOM 337 N ARG A 40 6.400 -5.160 8.900 1.00 0.00 N ATOM 338 CA ARG A 40 5.690 -5.040 10.190 1.00 0.00 C ATOM 339 C ARG A 40 4.670 -3.910 10.170 1.00 0.00 C ATOM 340 O ARG A 40 3.590 -3.990 10.740 1.00 0.00 O ATOM 341 CB ARG A 40 6.620 -4.760 11.370 1.00 0.00 C ATOM 342 CG ARG A 40 7.600 -5.890 11.620 1.00 0.00 C ATOM 343 CD ARG A 40 8.970 -5.510 11.070 1.00 0.00 C ATOM 344 NE ARG A 40 10.030 -5.660 12.070 1.00 0.00 N ATOM 345 CZ ARG A 40 10.390 -6.820 12.630 1.00 0.00 C ATOM 346 NH1 ARG A 40 9.830 -7.960 12.250 1.00 0.00 N ATOM 347 NH2 ARG A 40 11.310 -6.840 13.570 1.00 0.00 N ATOM 0 H ARG A 40 7.416 -5.109 8.978 1.00 0.00 H new ATOM 0 HA ARG A 40 5.209 -6.009 10.321 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.173 -3.839 11.182 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.023 -4.596 12.267 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.670 -6.095 12.688 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.246 -6.804 11.143 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.198 -6.133 10.205 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.946 -4.478 10.721 1.00 0.00 H new ATOM 0 HE ARG A 40 10.529 -4.819 12.360 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.115 -7.959 11.522 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.114 -8.838 12.685 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.749 -5.970 13.872 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.584 -7.725 13.997 1.00 0.00 H new ATOM 354 N GLU A 41 5.030 -2.900 9.380 1.00 0.00 N ATOM 355 CA GLU A 41 4.150 -1.770 9.110 1.00 0.00 C ATOM 356 C GLU A 41 3.070 -2.050 8.070 1.00 0.00 C ATOM 357 O GLU A 41 2.200 -1.200 7.880 1.00 0.00 O ATOM 358 CB GLU A 41 5.000 -0.590 8.690 1.00 0.00 C ATOM 359 CG GLU A 41 4.920 0.420 9.830 1.00 0.00 C ATOM 360 CD GLU A 41 5.490 1.770 9.450 1.00 0.00 C ATOM 361 OE1 GLU A 41 6.090 1.850 8.340 1.00 0.00 O ATOM 362 OE2 GLU A 41 5.420 2.640 10.340 1.00 0.00 O ATOM 0 H GLU A 41 5.935 -2.844 8.913 1.00 0.00 H new ATOM 0 HA GLU A 41 3.606 -1.557 10.030 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.031 -0.896 8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.632 -0.157 7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.880 0.541 10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.460 0.032 10.694 1.00 0.00 H new ATOM 364 N SER A 42 3.140 -3.200 7.410 1.00 0.00 N ATOM 365 CA SER A 42 2.200 -3.620 6.340 1.00 0.00 C ATOM 366 C SER A 42 1.900 -2.480 5.360 1.00 0.00 C ATOM 367 O SER A 42 0.770 -2.160 5.000 1.00 0.00 O ATOM 368 CB SER A 42 0.940 -4.210 6.990 1.00 0.00 C ATOM 369 OG SER A 42 0.020 -4.660 5.990 1.00 0.00 O ATOM 0 H SER A 42 3.864 -3.893 7.597 1.00 0.00 H new ATOM 0 HA SER A 42 2.663 -4.396 5.730 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.215 -5.041 7.639 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.463 -3.458 7.619 1.00 0.00 H new ATOM 0 HG SER A 42 -0.124 -3.947 5.333 1.00 0.00 H new ATOM 372 N VAL A 43 2.980 -1.780 5.020 1.00 0.00 N ATOM 373 CA VAL A 43 2.870 -0.630 4.100 1.00 0.00 C ATOM 374 C VAL A 43 3.460 -1.000 2.740 1.00 0.00 C ATOM 375 O VAL A 43 3.230 -0.350 1.730 1.00 0.00 O ATOM 376 CB VAL A 43 3.490 0.650 4.690 1.00 0.00 C ATOM 377 CG1 VAL A 43 3.370 1.840 3.730 1.00 0.00 C ATOM 378 CG2 VAL A 43 2.790 1.090 5.970 1.00 0.00 C ATOM 0 H VAL A 43 3.924 -1.975 5.354 1.00 0.00 H new ATOM 0 HA VAL A 43 1.814 -0.398 3.958 1.00 0.00 H new ATOM 0 HB VAL A 43 4.532 0.391 4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.820 2.722 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.887 1.609 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.318 2.036 3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.262 1.996 6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.739 1.288 5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.868 0.300 6.717 1.00 0.00 H new ATOM 380 N LEU A 44 4.260 -2.050 2.710 1.00 0.00 N ATOM 381 CA LEU A 44 4.940 -2.440 1.480 1.00 0.00 C ATOM 382 C LEU A 44 4.040 -3.420 0.710 1.00 0.00 C ATOM 383 O LEU A 44 3.250 -4.130 1.340 1.00 0.00 O ATOM 384 CB LEU A 44 6.270 -3.050 1.920 1.00 0.00 C ATOM 385 CG LEU A 44 7.310 -2.070 2.490 1.00 0.00 C ATOM 386 CD1 LEU A 44 8.230 -1.650 1.370 1.00 0.00 C ATOM 387 CD2 LEU A 44 6.810 -0.770 3.100 1.00 0.00 C ATOM 0 H LEU A 44 4.456 -2.646 3.514 1.00 0.00 H new ATOM 0 HA LEU A 44 5.135 -1.611 0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.066 -3.810 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.713 -3.560 1.065 1.00 0.00 H new ATOM 0 HG LEU A 44 7.762 -2.637 3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.976 -0.954 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.730 -2.528 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.650 -1.164 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.658 -0.186 3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.268 -0.199 2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.145 -0.992 3.934 1.00 0.00 H new ATOM 389 N PRO A 45 4.090 -3.410 -0.630 1.00 0.00 N ATOM 390 CA PRO A 45 3.210 -4.260 -1.460 1.00 0.00 C ATOM 391 C PRO A 45 3.680 -5.720 -1.490 1.00 0.00 C ATOM 392 O PRO A 45 3.900 -6.310 -2.550 1.00 0.00 O ATOM 393 CB PRO A 45 3.240 -3.570 -2.830 1.00 0.00 C ATOM 394 CG PRO A 45 4.630 -2.950 -2.910 1.00 0.00 C ATOM 395 CD PRO A 45 4.950 -2.550 -1.470 1.00 0.00 C ATOM 0 HA PRO A 45 2.194 -4.340 -1.073 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.076 -4.283 -3.638 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.461 -2.812 -2.910 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.361 -3.660 -3.297 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.642 -2.086 -3.575 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.005 -2.706 -1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.739 -1.494 -1.298 1.00 0.00 H new ATOM 396 N THR A 46 3.780 -6.290 -0.290 1.00 0.00 N ATOM 397 CA THR A 46 4.250 -7.670 -0.060 1.00 0.00 C ATOM 398 C THR A 46 3.680 -8.140 1.290 1.00 0.00 C ATOM 399 O THR A 46 2.610 -7.680 1.690 1.00 0.00 O ATOM 400 CB THR A 46 5.790 -7.720 -0.140 1.00 0.00 C ATOM 401 OG1 THR A 46 6.290 -6.840 -1.150 1.00 0.00 O ATOM 402 CG2 THR A 46 6.310 -9.120 -0.460 1.00 0.00 C ATOM 0 H THR A 46 3.534 -5.802 0.571 1.00 0.00 H new ATOM 0 HA THR A 46 3.895 -8.356 -0.829 1.00 0.00 H new ATOM 0 HB THR A 46 6.141 -7.414 0.845 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.016 -6.296 -0.779 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.399 -9.102 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.991 -9.813 0.318 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.912 -9.445 -1.421 1.00 0.00 H new ATOM 405 N GLN A 47 4.440 -8.940 2.030 1.00 0.00 N ATOM 406 CA GLN A 47 4.040 -9.620 3.290 1.00 0.00 C ATOM 407 C GLN A 47 5.090 -10.670 3.690 1.00 0.00 C ATOM 408 O GLN A 47 5.250 -10.950 4.870 1.00 0.00 O ATOM 409 CB GLN A 47 2.650 -10.290 3.170 1.00 0.00 C ATOM 410 CG GLN A 47 2.310 -11.270 4.300 1.00 0.00 C ATOM 411 CD GLN A 47 0.860 -11.180 4.740 1.00 0.00 C ATOM 412 OE1 GLN A 47 -0.090 -11.340 3.980 1.00 0.00 O ATOM 413 NE2 GLN A 47 0.700 -10.930 6.020 1.00 0.00 N ATOM 0 H GLN A 47 5.403 -9.153 1.768 1.00 0.00 H new ATOM 0 HA GLN A 47 3.978 -8.854 4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.888 -9.511 3.142 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.599 -10.821 2.219 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.522 -12.287 3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.957 -11.071 5.154 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.515 -10.803 6.621 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.239 -10.863 6.413 1.00 0.00 H new ATOM 417 N SER A 48 5.670 -11.330 2.700 1.00 0.00 N ATOM 418 CA SER A 48 6.690 -12.380 2.910 1.00 0.00 C ATOM 419 C SER A 48 7.660 -12.080 4.060 1.00 0.00 C ATOM 420 O SER A 48 7.930 -10.930 4.420 1.00 0.00 O ATOM 421 CB SER A 48 7.470 -12.620 1.620 1.00 0.00 C ATOM 422 OG SER A 48 7.960 -11.370 1.130 1.00 0.00 O ATOM 0 H SER A 48 5.454 -11.161 1.717 1.00 0.00 H new ATOM 0 HA SER A 48 6.145 -13.280 3.195 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.299 -13.303 1.804 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.829 -13.091 0.875 1.00 0.00 H new ATOM 0 HG SER A 48 8.463 -11.518 0.302 1.00 0.00 H new ATOM 425 N TYR A 49 8.100 -13.170 4.670 1.00 0.00 N ATOM 426 CA TYR A 49 8.950 -13.100 5.860 1.00 0.00 C ATOM 427 C TYR A 49 10.410 -13.400 5.530 1.00 0.00 C ATOM 428 O TYR A 49 10.700 -14.430 4.920 1.00 0.00 O ATOM 429 CB TYR A 49 8.430 -14.050 6.950 1.00 0.00 C ATOM 430 CG TYR A 49 9.120 -13.910 8.320 1.00 0.00 C ATOM 431 CD1 TYR A 49 9.940 -12.800 8.640 1.00 0.00 C ATOM 432 CD2 TYR A 49 8.910 -14.930 9.260 1.00 0.00 C ATOM 433 CE1 TYR A 49 10.560 -12.700 9.890 1.00 0.00 C ATOM 434 CE2 TYR A 49 9.520 -14.850 10.530 1.00 0.00 C ATOM 435 CZ TYR A 49 10.340 -13.730 10.820 1.00 0.00 C ATOM 436 OH TYR A 49 10.970 -13.660 12.020 1.00 0.00 O ATOM 0 H TYR A 49 7.884 -14.119 4.363 1.00 0.00 H new ATOM 0 HA TYR A 49 8.906 -12.079 6.238 1.00 0.00 H new ATOM 0 HB2 TYR A 49 7.361 -13.880 7.079 1.00 0.00 H new ATOM 0 HB3 TYR A 49 8.549 -15.076 6.603 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.089 -12.020 7.908 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.283 -15.774 9.012 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.189 -11.856 10.133 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.366 -15.625 11.266 1.00 0.00 H new ATOM 0 HH TYR A 49 10.725 -14.438 12.564 1.00 0.00 H new ATOM 439 N GLY A 50 11.250 -12.430 5.850 1.00 0.00 N ATOM 440 CA GLY A 50 12.700 -12.580 5.620 1.00 0.00 C ATOM 441 C GLY A 50 13.120 -12.010 4.260 1.00 0.00 C ATOM 442 O GLY A 50 14.240 -11.530 4.110 1.00 0.00 O ATOM 0 H GLY A 50 10.972 -11.540 6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.249 -12.072 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.970 -13.635 5.671 1.00 0.00 H new ATOM 444 N TYR A 51 12.160 -11.920 3.340 1.00 0.00 N ATOM 445 CA TYR A 51 12.340 -11.320 2.010 1.00 0.00 C ATOM 446 C TYR A 51 12.680 -9.820 2.070 1.00 0.00 C ATOM 447 O TYR A 51 12.960 -9.200 1.060 1.00 0.00 O ATOM 448 CB TYR A 51 11.030 -11.510 1.250 1.00 0.00 C ATOM 449 CG TYR A 51 11.230 -12.020 -0.180 1.00 0.00 C ATOM 450 CD1 TYR A 51 11.580 -13.380 -0.360 1.00 0.00 C ATOM 451 CD2 TYR A 51 11.040 -11.150 -1.270 1.00 0.00 C ATOM 452 CE1 TYR A 51 11.780 -13.870 -1.670 1.00 0.00 C ATOM 453 CE2 TYR A 51 11.230 -11.640 -2.580 1.00 0.00 C ATOM 454 CZ TYR A 51 11.620 -12.990 -2.760 1.00 0.00 C ATOM 455 OH TYR A 51 11.890 -13.430 -4.010 1.00 0.00 O ATOM 0 H TYR A 51 11.214 -12.268 3.498 1.00 0.00 H new ATOM 0 HA TYR A 51 13.180 -11.809 1.517 1.00 0.00 H new ATOM 0 HB2 TYR A 51 10.400 -12.213 1.795 1.00 0.00 H new ATOM 0 HB3 TYR A 51 10.495 -10.561 1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 51 11.693 -14.034 0.492 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.753 -10.122 -1.106 1.00 0.00 H new ATOM 0 HE1 TYR A 51 12.051 -14.902 -1.834 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.080 -10.995 -3.433 1.00 0.00 H new ATOM 0 HH TYR A 51 11.731 -12.707 -4.653 1.00 0.00 H new ATOM 458 N TYR A 52 12.480 -9.240 3.240 1.00 0.00 N ATOM 459 CA TYR A 52 12.750 -7.820 3.490 1.00 0.00 C ATOM 460 C TYR A 52 13.850 -7.690 4.540 1.00 0.00 C ATOM 461 O TYR A 52 13.910 -8.510 5.460 1.00 0.00 O ATOM 462 CB TYR A 52 11.520 -7.240 4.130 1.00 0.00 C ATOM 463 CG TYR A 52 10.440 -6.800 3.180 1.00 0.00 C ATOM 464 CD1 TYR A 52 9.680 -7.750 2.460 1.00 0.00 C ATOM 465 CD2 TYR A 52 10.280 -5.420 3.050 1.00 0.00 C ATOM 466 CE1 TYR A 52 8.740 -7.260 1.530 1.00 0.00 C ATOM 467 CE2 TYR A 52 9.340 -4.940 2.130 1.00 0.00 C ATOM 468 CZ TYR A 52 8.590 -5.860 1.380 1.00 0.00 C ATOM 469 OH TYR A 52 7.720 -5.350 0.480 1.00 0.00 O ATOM 0 H TYR A 52 12.123 -9.738 4.055 1.00 0.00 H new ATOM 0 HA TYR A 52 13.028 -7.329 2.558 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.101 -7.982 4.810 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.817 -6.384 4.736 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.814 -8.810 2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.868 -4.737 3.646 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.144 -7.942 0.941 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.194 -3.878 1.999 1.00 0.00 H new ATOM 0 HH TYR A 52 8.159 -4.641 -0.034 1.00 0.00 H new ATOM 472 N HIS A 53 14.400 -6.490 4.550 1.00 0.00 N ATOM 473 CA HIS A 53 15.490 -6.110 5.450 1.00 0.00 C ATOM 474 C HIS A 53 15.580 -4.590 5.620 1.00 0.00 C ATOM 475 O HIS A 53 15.010 -3.830 4.840 1.00 0.00 O ATOM 476 CB HIS A 53 16.830 -6.670 4.940 1.00 0.00 C ATOM 477 CG HIS A 53 16.930 -8.190 4.910 1.00 0.00 C ATOM 478 ND1 HIS A 53 16.670 -8.960 3.860 1.00 0.00 N ATOM 479 CD2 HIS A 53 17.290 -8.980 5.920 1.00 0.00 C ATOM 480 CE1 HIS A 53 16.870 -10.230 4.210 1.00 0.00 C ATOM 481 NE2 HIS A 53 17.230 -10.240 5.490 1.00 0.00 N ATOM 0 H HIS A 53 14.104 -5.738 3.928 1.00 0.00 H new ATOM 0 HA HIS A 53 15.274 -6.541 6.427 1.00 0.00 H new ATOM 0 HB2 HIS A 53 17.004 -6.291 3.933 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.631 -6.282 5.570 1.00 0.00 H new ATOM 0 HD2 HIS A 53 17.579 -8.658 6.909 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.760 -11.094 3.571 1.00 0.00 H new ATOM 0 HE2 HIS A 53 17.427 -11.071 6.048 1.00 0.00 H new ATOM 485 N GLU A 54 16.230 -4.190 6.700 1.00 0.00 N ATOM 486 CA GLU A 54 16.390 -2.760 7.040 1.00 0.00 C ATOM 487 C GLU A 54 17.870 -2.390 7.040 1.00 0.00 C ATOM 488 O GLU A 54 18.720 -3.150 7.520 1.00 0.00 O ATOM 489 CB GLU A 54 15.830 -2.420 8.410 1.00 0.00 C ATOM 490 CG GLU A 54 14.340 -2.760 8.540 1.00 0.00 C ATOM 491 CD GLU A 54 14.050 -3.700 9.720 1.00 0.00 C ATOM 492 OE1 GLU A 54 14.910 -4.560 10.000 1.00 0.00 O ATOM 493 OE2 GLU A 54 12.990 -3.550 10.360 1.00 0.00 O ATOM 0 H GLU A 54 16.662 -4.828 7.368 1.00 0.00 H new ATOM 0 HA GLU A 54 15.837 -2.199 6.287 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.390 -2.962 9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.974 -1.357 8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 54 13.770 -1.839 8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 54 13.995 -3.225 7.616 1.00 0.00 H new ATOM 495 N TYR A 55 18.130 -1.230 6.440 1.00 0.00 N ATOM 496 CA TYR A 55 19.490 -0.720 6.260 1.00 0.00 C ATOM 497 C TYR A 55 19.480 0.820 6.220 1.00 0.00 C ATOM 498 O TYR A 55 19.480 1.440 5.160 1.00 0.00 O ATOM 499 CB TYR A 55 20.090 -1.250 4.960 1.00 0.00 C ATOM 500 CG TYR A 55 20.150 -2.760 4.840 1.00 0.00 C ATOM 501 CD1 TYR A 55 21.160 -3.460 5.530 1.00 0.00 C ATOM 502 CD2 TYR A 55 19.210 -3.430 4.030 1.00 0.00 C ATOM 503 CE1 TYR A 55 21.220 -4.860 5.440 1.00 0.00 C ATOM 504 CE2 TYR A 55 19.300 -4.830 3.930 1.00 0.00 C ATOM 505 CZ TYR A 55 20.290 -5.530 4.640 1.00 0.00 C ATOM 506 OH TYR A 55 20.280 -6.890 4.620 1.00 0.00 O ATOM 0 H TYR A 55 17.406 -0.617 6.065 1.00 0.00 H new ATOM 0 HA TYR A 55 20.095 -1.059 7.101 1.00 0.00 H new ATOM 0 HB2 TYR A 55 19.508 -0.859 4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 55 21.100 -0.854 4.858 1.00 0.00 H new ATOM 0 HD1 TYR A 55 21.884 -2.923 6.125 1.00 0.00 H new ATOM 0 HD2 TYR A 55 18.443 -2.884 3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 55 21.974 -5.412 5.981 1.00 0.00 H new ATOM 0 HE2 TYR A 55 18.605 -5.370 3.304 1.00 0.00 H new ATOM 0 HH TYR A 55 19.574 -7.203 4.016 1.00 0.00 H new ATOM 509 N THR A 56 19.320 1.430 7.390 1.00 0.00 N ATOM 510 CA THR A 56 19.290 2.900 7.500 1.00 0.00 C ATOM 511 C THR A 56 20.360 3.570 6.650 1.00 0.00 C ATOM 512 O THR A 56 21.490 3.100 6.520 1.00 0.00 O ATOM 513 CB THR A 56 19.440 3.330 8.960 1.00 0.00 C ATOM 514 OG1 THR A 56 18.280 2.840 9.610 1.00 0.00 O ATOM 515 CG2 THR A 56 19.610 4.830 9.240 1.00 0.00 C ATOM 0 H THR A 56 19.209 0.939 8.277 1.00 0.00 H new ATOM 0 HA THR A 56 18.321 3.225 7.121 1.00 0.00 H new ATOM 0 HB THR A 56 20.382 2.921 9.326 1.00 0.00 H new ATOM 0 HG1 THR A 56 17.673 3.585 9.801 1.00 0.00 H new ATOM 0 HG21 THR A 56 19.705 4.991 10.314 1.00 0.00 H new ATOM 0 HG22 THR A 56 20.506 5.195 8.738 1.00 0.00 H new ATOM 0 HG23 THR A 56 18.740 5.371 8.867 1.00 0.00 H new ATOM 518 N VAL A 57 19.910 4.640 6.040 1.00 0.00 N ATOM 519 CA VAL A 57 20.800 5.420 5.180 1.00 0.00 C ATOM 520 C VAL A 57 21.340 6.620 5.940 1.00 0.00 C ATOM 521 O VAL A 57 20.570 7.470 6.390 1.00 0.00 O ATOM 522 CB VAL A 57 20.080 5.720 3.860 1.00 0.00 C ATOM 523 CG1 VAL A 57 19.260 7.000 3.790 1.00 0.00 C ATOM 524 CG2 VAL A 57 21.170 5.760 2.810 1.00 0.00 C ATOM 0 H VAL A 57 18.956 4.994 6.113 1.00 0.00 H new ATOM 0 HA VAL A 57 21.693 4.861 4.899 1.00 0.00 H new ATOM 0 HB VAL A 57 19.328 4.944 3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 57 18.806 7.088 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 57 18.477 6.973 4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 57 19.908 7.858 3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.729 5.971 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 57 21.888 6.541 3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.679 4.797 2.777 1.00 0.00 H new ATOM 526 N ILE A 58 22.620 6.520 6.290 1.00 0.00 N ATOM 527 CA ILE A 58 23.350 7.660 6.880 1.00 0.00 C ATOM 528 C ILE A 58 22.940 8.980 6.180 1.00 0.00 C ATOM 529 O ILE A 58 22.750 9.010 4.970 1.00 0.00 O ATOM 530 CB ILE A 58 24.870 7.400 6.850 1.00 0.00 C ATOM 531 CG1 ILE A 58 25.240 6.810 8.200 1.00 0.00 C ATOM 532 CG2 ILE A 58 25.790 8.610 6.580 1.00 0.00 C ATOM 533 CD1 ILE A 58 25.840 5.420 8.020 1.00 0.00 C ATOM 0 H ILE A 58 23.177 5.673 6.180 1.00 0.00 H new ATOM 0 HA ILE A 58 23.077 7.767 7.930 1.00 0.00 H new ATOM 0 HB ILE A 58 25.040 6.744 5.997 1.00 0.00 H new ATOM 0 HG12 ILE A 58 25.954 7.460 8.706 1.00 0.00 H new ATOM 0 HG13 ILE A 58 24.356 6.753 8.835 1.00 0.00 H new ATOM 0 HG21 ILE A 58 26.830 8.285 6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 58 25.550 9.039 5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 58 25.640 9.361 7.355 1.00 0.00 H new ATOM 0 HD11 ILE A 58 26.101 5.007 8.995 1.00 0.00 H new ATOM 0 HD12 ILE A 58 25.113 4.770 7.534 1.00 0.00 H new ATOM 0 HD13 ILE A 58 26.736 5.488 7.403 1.00 0.00 H new ATOM 535 N THR A 59 22.950 10.030 6.980 1.00 0.00 N ATOM 536 CA THR A 59 22.580 11.380 6.520 1.00 0.00 C ATOM 537 C THR A 59 23.420 12.470 7.200 1.00 0.00 C ATOM 538 O THR A 59 23.800 12.300 8.370 1.00 0.00 O ATOM 539 CB THR A 59 21.040 11.540 6.630 1.00 0.00 C ATOM 540 OG1 THR A 59 20.500 10.830 5.510 1.00 0.00 O ATOM 541 CG2 THR A 59 20.500 12.970 6.560 1.00 0.00 C ATOM 0 H THR A 59 23.212 9.985 7.965 1.00 0.00 H new ATOM 0 HA THR A 59 22.827 11.511 5.467 1.00 0.00 H new ATOM 0 HB THR A 59 20.753 11.172 7.615 1.00 0.00 H new ATOM 0 HG1 THR A 59 19.959 11.440 4.966 1.00 0.00 H new ATOM 0 HG21 THR A 59 19.414 12.953 6.648 1.00 0.00 H new ATOM 0 HG22 THR A 59 20.921 13.558 7.375 1.00 0.00 H new ATOM 0 HG23 THR A 59 20.780 13.418 5.607 1.00 0.00 H new ATOM 544 N PRO A 60 23.820 13.510 6.450 1.00 0.00 N ATOM 545 CA PRO A 60 24.610 14.620 7.010 1.00 0.00 C ATOM 546 C PRO A 60 23.720 15.520 7.870 1.00 0.00 C ATOM 547 O PRO A 60 22.500 15.570 7.680 1.00 0.00 O ATOM 548 CB PRO A 60 25.170 15.350 5.790 1.00 0.00 C ATOM 549 CG PRO A 60 24.130 15.120 4.690 1.00 0.00 C ATOM 550 CD PRO A 60 23.520 13.750 5.020 1.00 0.00 C ATOM 0 HA PRO A 60 25.412 14.287 7.668 1.00 0.00 H new ATOM 0 HB2 PRO A 60 25.305 16.413 5.992 1.00 0.00 H new ATOM 0 HB3 PRO A 60 26.144 14.953 5.504 1.00 0.00 H new ATOM 0 HG2 PRO A 60 23.372 15.903 4.690 1.00 0.00 H new ATOM 0 HG3 PRO A 60 24.590 15.122 3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 60 22.445 13.747 4.840 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.951 12.969 4.393 1.00 0.00 H new ATOM 551 N GLY A 61 24.340 16.060 8.920 1.00 0.00 N ATOM 552 CA GLY A 61 23.650 16.890 9.940 1.00 0.00 C ATOM 553 C GLY A 61 22.490 16.140 10.610 1.00 0.00 C ATOM 554 O GLY A 61 21.550 16.740 11.130 1.00 0.00 O ATOM 0 H GLY A 61 25.337 15.941 9.098 1.00 0.00 H new ATOM 0 HA2 GLY A 61 24.367 17.199 10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 61 23.271 17.798 9.471 1.00 0.00 H new ATOM 556 N ALA A 62 22.590 14.810 10.610 1.00 0.00 N ATOM 557 CA ALA A 62 21.580 13.940 11.220 1.00 0.00 C ATOM 558 C ALA A 62 22.080 13.680 12.640 1.00 0.00 C ATOM 559 O ALA A 62 22.970 12.870 12.870 1.00 0.00 O ATOM 560 CB ALA A 62 21.440 12.640 10.430 1.00 0.00 C ATOM 0 H ALA A 62 23.370 14.306 10.189 1.00 0.00 H new ATOM 0 HA ALA A 62 20.591 14.398 11.224 1.00 0.00 H new ATOM 0 HB1 ALA A 62 20.686 12.009 10.899 1.00 0.00 H new ATOM 0 HB2 ALA A 62 21.139 12.866 9.407 1.00 0.00 H new ATOM 0 HB3 ALA A 62 22.396 12.116 10.419 1.00 0.00 H new ATOM 562 N ARG A 63 21.620 14.560 13.540 1.00 0.00 N ATOM 563 CA ARG A 63 21.920 14.450 14.990 1.00 0.00 C ATOM 564 C ARG A 63 21.880 13.010 15.510 1.00 0.00 C ATOM 565 O ARG A 63 22.590 12.640 16.440 1.00 0.00 O ATOM 566 CB ARG A 63 20.950 15.280 15.840 1.00 0.00 C ATOM 567 CG ARG A 63 21.500 16.690 16.020 1.00 0.00 C ATOM 568 CD ARG A 63 20.500 17.720 15.510 1.00 0.00 C ATOM 569 NE ARG A 63 21.250 18.870 14.990 1.00 0.00 N ATOM 570 CZ ARG A 63 20.710 19.980 14.470 1.00 0.00 C ATOM 571 NH1 ARG A 63 19.400 20.160 14.450 1.00 0.00 N ATOM 572 NH2 ARG A 63 21.490 20.930 13.990 1.00 0.00 N ATOM 0 H ARG A 63 21.037 15.361 13.297 1.00 0.00 H new ATOM 0 HA ARG A 63 22.936 14.834 15.088 1.00 0.00 H new ATOM 0 HB2 ARG A 63 19.973 15.319 15.359 1.00 0.00 H new ATOM 0 HB3 ARG A 63 20.808 14.808 16.812 1.00 0.00 H new ATOM 0 HG2 ARG A 63 21.714 16.872 17.073 1.00 0.00 H new ATOM 0 HG3 ARG A 63 22.442 16.791 15.481 1.00 0.00 H new ATOM 0 HD2 ARG A 63 19.876 17.288 14.728 1.00 0.00 H new ATOM 0 HD3 ARG A 63 19.833 18.033 16.314 1.00 0.00 H new ATOM 0 HE ARG A 63 22.268 18.819 15.028 1.00 0.00 H new ATOM 0 HH11 ARG A 63 18.781 19.446 14.835 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.008 21.012 14.049 1.00 0.00 H new ATOM 0 HH21 ARG A 63 22.504 20.819 14.015 1.00 0.00 H new ATOM 0 HH22 ARG A 63 21.079 21.775 13.594 1.00 0.00 H new ATOM 579 N THR A 64 21.000 12.230 14.890 1.00 0.00 N ATOM 580 CA THR A 64 20.810 10.810 15.200 1.00 0.00 C ATOM 581 C THR A 64 20.820 9.990 13.890 1.00 0.00 C ATOM 582 O THR A 64 21.160 10.490 12.820 1.00 0.00 O ATOM 583 CB THR A 64 19.500 10.640 15.990 1.00 0.00 C ATOM 584 OG1 THR A 64 18.380 10.820 15.120 1.00 0.00 O ATOM 585 CG2 THR A 64 19.380 11.580 17.200 1.00 0.00 C ATOM 0 H THR A 64 20.388 12.568 14.147 1.00 0.00 H new ATOM 0 HA THR A 64 21.624 10.437 15.821 1.00 0.00 H new ATOM 0 HB THR A 64 19.512 9.626 16.390 1.00 0.00 H new ATOM 0 HG1 THR A 64 17.550 10.709 15.628 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.431 11.402 17.706 1.00 0.00 H new ATOM 0 HG22 THR A 64 20.201 11.390 17.891 1.00 0.00 H new ATOM 0 HG23 THR A 64 19.422 12.615 16.862 1.00 0.00 H new ATOM 588 N ARG A 65 20.240 8.800 13.970 1.00 0.00 N ATOM 589 CA ARG A 65 19.980 7.930 12.800 1.00 0.00 C ATOM 590 C ARG A 65 19.090 8.580 11.740 1.00 0.00 C ATOM 591 O ARG A 65 19.060 8.130 10.590 1.00 0.00 O ATOM 592 CB ARG A 65 19.330 6.660 13.320 1.00 0.00 C ATOM 593 CG ARG A 65 20.290 5.530 13.000 1.00 0.00 C ATOM 594 CD ARG A 65 20.310 4.470 14.100 1.00 0.00 C ATOM 595 NE ARG A 65 21.120 4.860 15.260 1.00 0.00 N ATOM 596 CZ ARG A 65 22.450 4.830 15.300 1.00 0.00 C ATOM 597 NH1 ARG A 65 23.170 4.410 14.270 1.00 0.00 N ATOM 598 NH2 ARG A 65 23.060 5.190 16.410 1.00 0.00 N ATOM 0 H ARG A 65 19.928 8.395 14.853 1.00 0.00 H new ATOM 0 HA ARG A 65 20.928 7.730 12.301 1.00 0.00 H new ATOM 0 HB2 ARG A 65 19.151 6.726 14.393 1.00 0.00 H new ATOM 0 HB3 ARG A 65 18.363 6.495 12.845 1.00 0.00 H new ATOM 0 HG2 ARG A 65 20.004 5.067 12.055 1.00 0.00 H new ATOM 0 HG3 ARG A 65 21.294 5.933 12.866 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.289 4.275 14.427 1.00 0.00 H new ATOM 0 HD3 ARG A 65 20.698 3.537 13.691 1.00 0.00 H new ATOM 0 HE ARG A 65 20.628 5.177 16.096 1.00 0.00 H new ATOM 0 HH11 ARG A 65 22.706 4.098 13.417 1.00 0.00 H new ATOM 0 HH12 ARG A 65 24.188 4.398 14.330 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.514 5.485 17.219 1.00 0.00 H new ATOM 0 HH22 ARG A 65 24.079 5.174 16.460 1.00 0.00 H new ATOM 605 N GLY A 66 18.390 9.630 12.170 1.00 0.00 N ATOM 606 CA GLY A 66 17.430 10.360 11.340 1.00 0.00 C ATOM 607 C GLY A 66 16.270 9.440 10.970 1.00 0.00 C ATOM 608 O GLY A 66 16.330 8.210 11.020 1.00 0.00 O ATOM 0 H GLY A 66 18.474 10.002 13.116 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.058 11.232 11.878 1.00 0.00 H new ATOM 0 HA3 GLY A 66 17.919 10.726 10.437 1.00 0.00 H new ATOM 610 N THR A 67 15.210 10.090 10.550 1.00 0.00 N ATOM 611 CA THR A 67 14.020 9.410 10.030 1.00 0.00 C ATOM 612 C THR A 67 14.280 8.650 8.710 1.00 0.00 C ATOM 613 O THR A 67 13.500 7.820 8.250 1.00 0.00 O ATOM 614 CB THR A 67 12.930 10.480 9.890 1.00 0.00 C ATOM 615 OG1 THR A 67 13.470 11.590 9.180 1.00 0.00 O ATOM 616 CG2 THR A 67 12.350 10.910 11.240 1.00 0.00 C ATOM 0 H THR A 67 15.136 11.107 10.554 1.00 0.00 H new ATOM 0 HA THR A 67 13.705 8.627 10.720 1.00 0.00 H new ATOM 0 HB THR A 67 12.095 10.054 9.333 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.091 11.616 8.277 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.583 11.668 11.082 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.909 10.047 11.738 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.144 11.322 11.863 1.00 0.00 H new ATOM 619 N ARG A 68 15.450 8.900 8.130 1.00 0.00 N ATOM 620 CA ARG A 68 15.940 8.220 6.920 1.00 0.00 C ATOM 621 C ARG A 68 16.170 6.740 7.190 1.00 0.00 C ATOM 622 O ARG A 68 16.840 6.320 8.140 1.00 0.00 O ATOM 623 CB ARG A 68 17.270 8.850 6.460 1.00 0.00 C ATOM 624 CG ARG A 68 17.230 10.380 6.300 1.00 0.00 C ATOM 625 CD ARG A 68 16.150 10.850 5.330 1.00 0.00 C ATOM 626 NE ARG A 68 16.760 11.590 4.210 1.00 0.00 N ATOM 627 CZ ARG A 68 16.110 12.370 3.350 1.00 0.00 C ATOM 628 NH1 ARG A 68 14.790 12.540 3.420 1.00 0.00 N ATOM 629 NH2 ARG A 68 16.760 12.980 2.380 1.00 0.00 N ATOM 0 H ARG A 68 16.103 9.595 8.491 1.00 0.00 H new ATOM 0 HA ARG A 68 15.185 8.333 6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 68 18.047 8.593 7.180 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.558 8.405 5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.059 10.837 7.275 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.202 10.729 5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.594 9.993 4.950 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.435 11.488 5.851 1.00 0.00 H new ATOM 0 HE ARG A 68 17.768 11.496 4.083 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.253 12.066 4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.317 13.144 2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.768 12.856 2.285 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.255 13.576 1.724 1.00 0.00 H new ATOM 636 N ARG A 69 15.510 5.960 6.360 1.00 0.00 N ATOM 637 CA ARG A 69 15.560 4.490 6.430 1.00 0.00 C ATOM 638 C ARG A 69 15.390 3.880 5.040 1.00 0.00 C ATOM 639 O ARG A 69 14.680 4.430 4.190 1.00 0.00 O ATOM 640 CB ARG A 69 14.450 4.010 7.380 1.00 0.00 C ATOM 641 CG ARG A 69 14.960 3.320 8.630 1.00 0.00 C ATOM 642 CD ARG A 69 15.490 1.920 8.290 1.00 0.00 C ATOM 643 NE ARG A 69 14.770 0.920 9.100 1.00 0.00 N ATOM 644 CZ ARG A 69 15.040 0.620 10.380 1.00 0.00 C ATOM 645 NH1 ARG A 69 15.990 1.210 11.080 1.00 0.00 N ATOM 646 NH2 ARG A 69 14.330 -0.310 10.980 1.00 0.00 N ATOM 0 H ARG A 69 14.917 6.316 5.610 1.00 0.00 H new ATOM 0 HA ARG A 69 16.530 4.169 6.810 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.842 4.866 7.673 1.00 0.00 H new ATOM 0 HB3 ARG A 69 13.796 3.324 6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 69 15.752 3.915 9.084 1.00 0.00 H new ATOM 0 HG3 ARG A 69 14.158 3.244 9.364 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.352 1.714 7.229 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.560 1.865 8.489 1.00 0.00 H new ATOM 0 HE ARG A 69 14.005 0.416 8.651 1.00 0.00 H new ATOM 0 HH11 ARG A 69 16.564 1.935 10.651 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.150 0.941 12.051 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.587 -0.791 10.473 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.522 -0.550 11.953 1.00 0.00 H new ATOM 653 N ILE A 70 16.100 2.780 4.850 1.00 0.00 N ATOM 654 CA ILE A 70 16.070 2.000 3.600 1.00 0.00 C ATOM 655 C ILE A 70 15.600 0.580 3.920 1.00 0.00 C ATOM 656 O ILE A 70 16.070 -0.060 4.860 1.00 0.00 O ATOM 657 CB ILE A 70 17.430 2.050 2.880 1.00 0.00 C ATOM 658 CG1 ILE A 70 17.480 3.360 2.090 1.00 0.00 C ATOM 659 CG2 ILE A 70 17.730 0.810 2.010 1.00 0.00 C ATOM 660 CD1 ILE A 70 18.740 3.610 1.250 1.00 0.00 C ATOM 0 H ILE A 70 16.722 2.391 5.558 1.00 0.00 H new ATOM 0 HA ILE A 70 15.360 2.437 2.898 1.00 0.00 H new ATOM 0 HB ILE A 70 18.227 2.025 3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 70 16.616 3.390 1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 70 17.370 4.186 2.793 1.00 0.00 H new ATOM 0 HG21 ILE A 70 18.706 0.924 1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 70 17.732 -0.082 2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.964 0.711 1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 70 18.653 4.569 0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 70 19.614 3.623 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 70 18.849 2.815 0.512 1.00 0.00 H new ATOM 662 N ILE A 71 14.730 0.120 3.040 1.00 0.00 N ATOM 663 CA ILE A 71 14.120 -1.210 3.170 1.00 0.00 C ATOM 664 C ILE A 71 14.330 -1.950 1.850 1.00 0.00 C ATOM 665 O ILE A 71 13.790 -1.580 0.830 1.00 0.00 O ATOM 666 CB ILE A 71 12.630 -1.110 3.510 1.00 0.00 C ATOM 667 CG1 ILE A 71 12.300 -0.070 4.600 1.00 0.00 C ATOM 668 CG2 ILE A 71 12.120 -2.510 3.860 1.00 0.00 C ATOM 669 CD1 ILE A 71 13.030 -0.250 5.940 1.00 0.00 C ATOM 0 H ILE A 71 14.422 0.643 2.220 1.00 0.00 H new ATOM 0 HA ILE A 71 14.591 -1.755 3.988 1.00 0.00 H new ATOM 0 HB ILE A 71 12.106 -0.734 2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.533 0.922 4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.226 -0.095 4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 71 11.059 -2.460 4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.264 -3.173 3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.673 -2.895 4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 71 12.722 0.535 6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.780 -1.223 6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 71 14.106 -0.190 5.779 1.00 0.00 H new ATOM 671 N THR A 72 15.290 -2.850 1.850 1.00 0.00 N ATOM 672 CA THR A 72 15.600 -3.660 0.660 1.00 0.00 C ATOM 673 C THR A 72 14.780 -4.960 0.660 1.00 0.00 C ATOM 674 O THR A 72 14.180 -5.340 1.660 1.00 0.00 O ATOM 675 CB THR A 72 17.090 -3.950 0.610 1.00 0.00 C ATOM 676 OG1 THR A 72 17.420 -4.380 1.920 1.00 0.00 O ATOM 677 CG2 THR A 72 17.890 -2.720 0.180 1.00 0.00 C ATOM 0 H THR A 72 15.880 -3.050 2.658 1.00 0.00 H new ATOM 0 HA THR A 72 15.327 -3.099 -0.234 1.00 0.00 H new ATOM 0 HB THR A 72 17.337 -4.710 -0.132 1.00 0.00 H new ATOM 0 HG1 THR A 72 18.349 -4.139 2.119 1.00 0.00 H new ATOM 0 HG21 THR A 72 18.951 -2.966 0.156 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.568 -2.405 -0.813 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.722 -1.910 0.890 1.00 0.00 H new ATOM 680 N GLY A 73 14.740 -5.560 -0.520 1.00 0.00 N ATOM 681 CA GLY A 73 14.010 -6.810 -0.780 1.00 0.00 C ATOM 682 C GLY A 73 15.000 -7.900 -1.180 1.00 0.00 C ATOM 683 O GLY A 73 16.110 -7.620 -1.620 1.00 0.00 O ATOM 0 H GLY A 73 15.219 -5.193 -1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.458 -7.113 0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.278 -6.659 -1.574 1.00 0.00 H new ATOM 685 N GLU A 74 14.510 -9.130 -1.150 1.00 0.00 N ATOM 686 CA GLU A 74 15.300 -10.310 -1.570 1.00 0.00 C ATOM 687 C GLU A 74 15.610 -10.280 -3.080 1.00 0.00 C ATOM 688 O GLU A 74 16.470 -11.010 -3.580 1.00 0.00 O ATOM 689 CB GLU A 74 14.550 -11.580 -1.210 1.00 0.00 C ATOM 690 CG GLU A 74 15.360 -12.870 -1.360 1.00 0.00 C ATOM 691 CD GLU A 74 15.580 -13.500 0.020 1.00 0.00 C ATOM 692 OE1 GLU A 74 14.680 -14.250 0.440 1.00 0.00 O ATOM 693 OE2 GLU A 74 16.630 -13.180 0.620 1.00 0.00 O ATOM 0 H GLU A 74 13.564 -9.352 -0.839 1.00 0.00 H new ATOM 0 HA GLU A 74 16.253 -10.287 -1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.206 -11.502 -0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.662 -11.651 -1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.834 -13.569 -2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.319 -12.657 -1.831 1.00 0.00 H new ATOM 695 N ALA A 75 14.890 -9.420 -3.790 1.00 0.00 N ATOM 696 CA ALA A 75 15.130 -9.160 -5.200 1.00 0.00 C ATOM 697 C ALA A 75 15.790 -7.780 -5.320 1.00 0.00 C ATOM 698 O ALA A 75 15.370 -6.800 -4.690 1.00 0.00 O ATOM 699 CB ALA A 75 13.810 -9.220 -5.970 1.00 0.00 C ATOM 0 H ALA A 75 14.118 -8.881 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 75 15.791 -9.913 -5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.996 -9.024 -7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.367 -10.210 -5.857 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.125 -8.469 -5.577 1.00 0.00 H new ATOM 701 N THR A 76 16.880 -7.770 -6.090 1.00 0.00 N ATOM 702 CA THR A 76 17.590 -6.520 -6.420 1.00 0.00 C ATOM 703 C THR A 76 16.590 -5.550 -7.050 1.00 0.00 C ATOM 704 O THR A 76 15.680 -5.980 -7.760 1.00 0.00 O ATOM 705 CB THR A 76 18.810 -6.830 -7.310 1.00 0.00 C ATOM 706 OG1 THR A 76 19.820 -7.340 -6.450 1.00 0.00 O ATOM 707 CG2 THR A 76 19.400 -5.670 -8.120 1.00 0.00 C ATOM 0 H THR A 76 17.294 -8.608 -6.499 1.00 0.00 H new ATOM 0 HA THR A 76 17.991 -6.038 -5.528 1.00 0.00 H new ATOM 0 HB THR A 76 18.456 -7.526 -8.070 1.00 0.00 H new ATOM 0 HG1 THR A 76 20.619 -7.554 -6.975 1.00 0.00 H new ATOM 0 HG21 THR A 76 20.251 -6.027 -8.700 1.00 0.00 H new ATOM 0 HG22 THR A 76 18.641 -5.275 -8.795 1.00 0.00 H new ATOM 0 HG23 THR A 76 19.728 -4.882 -7.442 1.00 0.00 H new ATOM 710 N GLN A 77 16.780 -4.280 -6.710 1.00 0.00 N ATOM 711 CA GLN A 77 15.990 -3.110 -7.160 1.00 0.00 C ATOM 712 C GLN A 77 14.670 -2.990 -6.370 1.00 0.00 C ATOM 713 O GLN A 77 13.630 -2.540 -6.850 1.00 0.00 O ATOM 714 CB GLN A 77 15.690 -3.080 -8.680 1.00 0.00 C ATOM 715 CG GLN A 77 16.790 -3.700 -9.550 1.00 0.00 C ATOM 716 CD GLN A 77 17.220 -2.850 -10.720 1.00 0.00 C ATOM 717 OE1 GLN A 77 16.510 -2.670 -11.700 1.00 0.00 O ATOM 718 NE2 GLN A 77 18.450 -2.400 -10.650 1.00 0.00 N ATOM 0 H GLN A 77 17.531 -4.010 -6.075 1.00 0.00 H new ATOM 0 HA GLN A 77 16.630 -2.251 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 77 14.755 -3.609 -8.865 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.538 -2.046 -8.989 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.660 -3.900 -8.924 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.439 -4.661 -9.926 1.00 0.00 H new ATOM 0 HE21 GLN A 77 19.009 -2.572 -9.814 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.847 -1.878 -11.431 1.00 0.00 H new ATOM 722 N GLU A 78 14.760 -3.370 -5.100 1.00 0.00 N ATOM 723 CA GLU A 78 13.620 -3.340 -4.160 1.00 0.00 C ATOM 724 C GLU A 78 13.970 -2.630 -2.840 1.00 0.00 C ATOM 725 O GLU A 78 13.720 -3.100 -1.740 1.00 0.00 O ATOM 726 CB GLU A 78 13.080 -4.750 -3.910 1.00 0.00 C ATOM 727 CG GLU A 78 12.340 -5.290 -5.130 1.00 0.00 C ATOM 728 CD GLU A 78 11.480 -6.510 -4.790 1.00 0.00 C ATOM 729 OE1 GLU A 78 10.950 -6.560 -3.650 1.00 0.00 O ATOM 730 OE2 GLU A 78 11.320 -7.350 -5.690 1.00 0.00 O ATOM 0 H GLU A 78 15.625 -3.711 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 78 12.831 -2.753 -4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.904 -5.417 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.408 -4.736 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.707 -4.506 -5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.062 -5.560 -5.901 1.00 0.00 H new ATOM 732 N ASP A 79 14.540 -1.440 -3.010 1.00 0.00 N ATOM 733 CA ASP A 79 15.030 -0.600 -1.910 1.00 0.00 C ATOM 734 C ASP A 79 14.110 0.600 -1.710 1.00 0.00 C ATOM 735 O ASP A 79 14.040 1.470 -2.570 1.00 0.00 O ATOM 736 CB ASP A 79 16.490 -0.140 -2.110 1.00 0.00 C ATOM 737 CG ASP A 79 17.060 -0.230 -3.530 1.00 0.00 C ATOM 738 OD1 ASP A 79 17.050 -1.330 -4.130 1.00 0.00 O ATOM 739 OD2 ASP A 79 17.560 0.810 -4.000 1.00 0.00 O ATOM 0 H ASP A 79 14.679 -1.021 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 79 15.019 -1.216 -1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.567 0.896 -1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.125 -0.733 -1.452 1.00 0.00 H new ATOM 741 N TYR A 80 13.270 0.470 -0.700 1.00 0.00 N ATOM 742 CA TYR A 80 12.220 1.440 -0.340 1.00 0.00 C ATOM 743 C TYR A 80 12.790 2.460 0.640 1.00 0.00 C ATOM 744 O TYR A 80 13.500 2.120 1.590 1.00 0.00 O ATOM 745 CB TYR A 80 11.060 0.690 0.330 1.00 0.00 C ATOM 746 CG TYR A 80 10.640 -0.580 -0.430 1.00 0.00 C ATOM 747 CD1 TYR A 80 9.690 -0.470 -1.460 1.00 0.00 C ATOM 748 CD2 TYR A 80 11.160 -1.830 -0.040 1.00 0.00 C ATOM 749 CE1 TYR A 80 9.250 -1.640 -2.100 1.00 0.00 C ATOM 750 CE2 TYR A 80 10.720 -3.010 -0.680 1.00 0.00 C ATOM 751 CZ TYR A 80 9.770 -2.890 -1.710 1.00 0.00 C ATOM 752 OH TYR A 80 9.390 -4.000 -2.390 1.00 0.00 O ATOM 0 H TYR A 80 13.290 -0.338 -0.078 1.00 0.00 H new ATOM 0 HA TYR A 80 11.866 1.952 -1.235 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.349 0.419 1.345 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.202 1.358 0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 80 9.306 0.496 -1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.896 -1.886 0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.515 -1.582 -2.889 1.00 0.00 H new ATOM 0 HE2 TYR A 80 11.102 -3.977 -0.387 1.00 0.00 H new ATOM 0 HH TYR A 80 9.832 -4.786 -2.006 1.00 0.00 H new ATOM 755 N TYR A 81 12.470 3.720 0.370 1.00 0.00 N ATOM 756 CA TYR A 81 12.990 4.840 1.170 1.00 0.00 C ATOM 757 C TYR A 81 11.830 5.520 1.880 1.00 0.00 C ATOM 758 O TYR A 81 10.910 6.040 1.270 1.00 0.00 O ATOM 759 CB TYR A 81 13.640 5.870 0.250 1.00 0.00 C ATOM 760 CG TYR A 81 14.610 6.770 1.000 1.00 0.00 C ATOM 761 CD1 TYR A 81 14.130 7.840 1.790 1.00 0.00 C ATOM 762 CD2 TYR A 81 15.980 6.540 0.810 1.00 0.00 C ATOM 763 CE1 TYR A 81 15.060 8.710 2.390 1.00 0.00 C ATOM 764 CE2 TYR A 81 16.910 7.410 1.390 1.00 0.00 C ATOM 765 CZ TYR A 81 16.440 8.490 2.170 1.00 0.00 C ATOM 766 OH TYR A 81 17.360 9.350 2.670 1.00 0.00 O ATOM 0 H TYR A 81 11.854 3.999 -0.394 1.00 0.00 H new ATOM 0 HA TYR A 81 13.718 4.460 1.887 1.00 0.00 H new ATOM 0 HB2 TYR A 81 14.169 5.357 -0.553 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.866 6.480 -0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 81 13.069 7.987 1.931 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.315 5.699 0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.726 9.531 3.007 1.00 0.00 H new ATOM 0 HE2 TYR A 81 17.969 7.258 1.244 1.00 0.00 H new ATOM 0 HH TYR A 81 17.984 9.611 1.961 1.00 0.00 H new ATOM 769 N THR A 82 12.020 5.640 3.180 1.00 0.00 N ATOM 770 CA THR A 82 11.050 6.330 4.040 1.00 0.00 C ATOM 771 C THR A 82 11.320 7.840 4.090 1.00 0.00 C ATOM 772 O THR A 82 10.600 8.670 3.560 1.00 0.00 O ATOM 773 CB THR A 82 10.850 5.660 5.420 1.00 0.00 C ATOM 774 OG1 THR A 82 11.020 6.580 6.490 1.00 0.00 O ATOM 775 CG2 THR A 82 11.640 4.370 5.670 1.00 0.00 C ATOM 0 H THR A 82 12.834 5.272 3.673 1.00 0.00 H new ATOM 0 HA THR A 82 10.072 6.218 3.571 1.00 0.00 H new ATOM 0 HB THR A 82 9.810 5.335 5.388 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.772 6.295 7.050 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.418 3.995 6.669 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.358 3.621 4.930 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.707 4.576 5.589 1.00 0.00 H new ATOM 778 N GLY A 83 12.440 8.170 4.730 1.00 0.00 N ATOM 779 CA GLY A 83 12.810 9.560 5.030 1.00 0.00 C ATOM 780 C GLY A 83 11.910 10.220 6.080 1.00 0.00 C ATOM 781 O GLY A 83 12.080 11.390 6.400 1.00 0.00 O ATOM 0 H GLY A 83 13.120 7.484 5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.842 9.585 5.380 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.771 10.144 4.111 1.00 0.00 H new ATOM 783 N ASP A 84 10.950 9.450 6.600 1.00 0.00 N ATOM 784 CA ASP A 84 10.010 9.890 7.640 1.00 0.00 C ATOM 785 C ASP A 84 9.910 8.920 8.830 1.00 0.00 C ATOM 786 O ASP A 84 9.070 9.090 9.710 1.00 0.00 O ATOM 787 CB ASP A 84 8.620 10.090 7.030 1.00 0.00 C ATOM 788 CG ASP A 84 8.490 11.190 5.980 1.00 0.00 C ATOM 789 OD1 ASP A 84 9.060 12.280 6.200 1.00 0.00 O ATOM 790 OD2 ASP A 84 7.760 10.930 5.000 1.00 0.00 O ATOM 0 H ASP A 84 10.800 8.485 6.306 1.00 0.00 H new ATOM 0 HA ASP A 84 10.401 10.829 8.031 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.307 9.149 6.579 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.920 10.305 7.838 1.00 0.00 H new ATOM 792 N HIS A 85 10.830 7.950 8.860 1.00 0.00 N ATOM 793 CA HIS A 85 10.990 6.880 9.860 1.00 0.00 C ATOM 794 C HIS A 85 9.790 5.940 9.840 1.00 0.00 C ATOM 795 O HIS A 85 8.820 6.140 10.570 1.00 0.00 O ATOM 796 CB HIS A 85 11.180 7.500 11.250 1.00 0.00 C ATOM 797 CG HIS A 85 11.640 6.490 12.290 1.00 0.00 C ATOM 798 ND1 HIS A 85 10.840 5.900 13.170 1.00 0.00 N ATOM 799 CD2 HIS A 85 12.890 6.130 12.520 1.00 0.00 C ATOM 800 CE1 HIS A 85 11.600 5.150 13.960 1.00 0.00 C ATOM 801 NE2 HIS A 85 12.860 5.300 13.560 1.00 0.00 N ATOM 0 H HIS A 85 11.539 7.884 8.130 1.00 0.00 H new ATOM 0 HA HIS A 85 11.874 6.291 9.615 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.910 8.306 11.186 1.00 0.00 H new ATOM 0 HB3 HIS A 85 10.240 7.946 11.575 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.765 6.447 11.972 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.258 4.532 14.777 1.00 0.00 H new ATOM 0 HE2 HIS A 85 13.673 4.851 13.983 1.00 0.00 H new ATOM 805 N TYR A 86 9.820 5.030 8.860 1.00 0.00 N ATOM 806 CA TYR A 86 8.690 4.120 8.610 1.00 0.00 C ATOM 807 C TYR A 86 7.360 4.850 8.370 1.00 0.00 C ATOM 808 O TYR A 86 6.270 4.330 8.570 1.00 0.00 O ATOM 809 CB TYR A 86 8.550 3.160 9.800 1.00 0.00 C ATOM 810 CG TYR A 86 9.600 2.070 9.790 1.00 0.00 C ATOM 811 CD1 TYR A 86 9.790 1.360 8.590 1.00 0.00 C ATOM 812 CD2 TYR A 86 10.280 1.760 10.980 1.00 0.00 C ATOM 813 CE1 TYR A 86 10.690 0.290 8.580 1.00 0.00 C ATOM 814 CE2 TYR A 86 11.160 0.670 10.980 1.00 0.00 C ATOM 815 CZ TYR A 86 11.340 -0.050 9.780 1.00 0.00 C ATOM 816 OH TYR A 86 12.060 -1.180 9.770 1.00 0.00 O ATOM 0 H TYR A 86 10.610 4.902 8.228 1.00 0.00 H new ATOM 0 HA TYR A 86 8.911 3.575 7.692 1.00 0.00 H new ATOM 0 HB2 TYR A 86 8.625 3.725 10.729 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.559 2.706 9.782 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.252 1.636 7.695 1.00 0.00 H new ATOM 0 HD2 TYR A 86 10.128 2.348 11.873 1.00 0.00 H new ATOM 0 HE1 TYR A 86 10.882 -0.262 7.672 1.00 0.00 H new ATOM 0 HE2 TYR A 86 11.689 0.387 11.878 1.00 0.00 H new ATOM 0 HH TYR A 86 11.495 -1.925 9.476 1.00 0.00 H new ATOM 819 N ALA A 87 7.440 6.080 7.890 1.00 0.00 N ATOM 820 CA ALA A 87 6.190 6.820 7.650 1.00 0.00 C ATOM 821 C ALA A 87 5.800 6.860 6.170 1.00 0.00 C ATOM 822 O ALA A 87 4.650 7.150 5.850 1.00 0.00 O ATOM 823 CB ALA A 87 6.210 8.190 8.320 1.00 0.00 C ATOM 0 H ALA A 87 8.303 6.576 7.665 1.00 0.00 H new ATOM 0 HA ALA A 87 5.387 6.262 8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.271 8.706 8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.335 8.067 9.396 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.038 8.777 7.923 1.00 0.00 H new ATOM 825 N THR A 88 6.710 6.400 5.320 1.00 0.00 N ATOM 826 CA THR A 88 6.590 6.400 3.850 1.00 0.00 C ATOM 827 C THR A 88 7.620 5.430 3.270 1.00 0.00 C ATOM 828 O THR A 88 8.390 4.840 4.030 1.00 0.00 O ATOM 829 CB THR A 88 6.870 7.800 3.300 1.00 0.00 C ATOM 830 OG1 THR A 88 8.030 8.270 3.970 1.00 0.00 O ATOM 831 CG2 THR A 88 5.710 8.780 3.460 1.00 0.00 C ATOM 0 H THR A 88 7.591 5.998 5.640 1.00 0.00 H new ATOM 0 HA THR A 88 5.580 6.098 3.572 1.00 0.00 H new ATOM 0 HB THR A 88 7.015 7.733 2.222 1.00 0.00 H new ATOM 0 HG1 THR A 88 8.799 8.224 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.991 9.748 3.045 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.836 8.399 2.932 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.473 8.894 4.518 1.00 0.00 H new ATOM 834 N PHE A 89 7.510 5.140 1.980 1.00 0.00 N ATOM 835 CA PHE A 89 8.350 4.140 1.280 1.00 0.00 C ATOM 836 C PHE A 89 8.320 4.460 -0.210 1.00 0.00 C ATOM 837 O PHE A 89 7.250 4.550 -0.820 1.00 0.00 O ATOM 838 CB PHE A 89 7.830 2.710 1.490 1.00 0.00 C ATOM 839 CG PHE A 89 7.800 2.310 2.970 1.00 0.00 C ATOM 840 CD1 PHE A 89 8.960 1.790 3.600 1.00 0.00 C ATOM 841 CD2 PHE A 89 6.620 2.560 3.710 1.00 0.00 C ATOM 842 CE1 PHE A 89 8.920 1.500 4.980 1.00 0.00 C ATOM 843 CE2 PHE A 89 6.600 2.310 5.100 1.00 0.00 C ATOM 844 CZ PHE A 89 7.750 1.760 5.720 1.00 0.00 C ATOM 0 H PHE A 89 6.829 5.592 1.370 1.00 0.00 H new ATOM 0 HA PHE A 89 9.362 4.190 1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.826 2.627 1.074 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.462 2.012 0.941 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.862 1.618 3.031 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.739 2.940 3.214 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.786 1.079 5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.719 2.535 5.683 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.729 1.537 6.776 1.00 0.00 H new ATOM 846 N SER A 90 9.500 4.820 -0.690 1.00 0.00 N ATOM 847 CA SER A 90 9.690 5.190 -2.100 1.00 0.00 C ATOM 848 C SER A 90 10.890 4.450 -2.660 1.00 0.00 C ATOM 849 O SER A 90 12.010 4.660 -2.200 1.00 0.00 O ATOM 850 CB SER A 90 9.930 6.690 -2.300 1.00 0.00 C ATOM 851 OG SER A 90 9.270 7.460 -1.300 1.00 0.00 O ATOM 0 H SER A 90 10.350 4.867 -0.128 1.00 0.00 H new ATOM 0 HA SER A 90 8.769 4.921 -2.617 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.000 6.896 -2.272 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.573 6.989 -3.286 1.00 0.00 H new ATOM 0 HG SER A 90 9.443 8.412 -1.453 1.00 0.00 H new ATOM 854 N LEU A 91 10.620 3.450 -3.510 1.00 0.00 N ATOM 855 CA LEU A 91 11.670 2.670 -4.180 1.00 0.00 C ATOM 856 C LEU A 91 12.810 3.550 -4.700 1.00 0.00 C ATOM 857 O LEU A 91 12.630 4.740 -4.910 1.00 0.00 O ATOM 858 CB LEU A 91 11.100 1.830 -5.330 1.00 0.00 C ATOM 859 CG LEU A 91 10.520 0.500 -4.890 1.00 0.00 C ATOM 860 CD1 LEU A 91 9.880 -0.230 -6.060 1.00 0.00 C ATOM 861 CD2 LEU A 91 11.630 -0.380 -4.320 1.00 0.00 C ATOM 0 H LEU A 91 9.673 3.160 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 91 12.079 2.002 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.324 2.404 -5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.889 1.648 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 91 9.761 0.698 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.472 -1.181 -5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.078 0.380 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 91 10.631 -0.414 -6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 91 11.211 -1.335 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.388 -0.551 -5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 91 12.085 0.117 -3.463 1.00 0.00 H new ATOM 863 N ILE A 92 13.970 2.980 -4.970 1.00 0.00 N ATOM 864 CA ILE A 92 15.110 3.760 -5.470 1.00 0.00 C ATOM 865 C ILE A 92 15.370 3.390 -6.940 1.00 0.00 C ATOM 866 O ILE A 92 15.760 2.270 -7.270 1.00 0.00 O ATOM 867 CB ILE A 92 16.320 3.620 -4.520 1.00 0.00 C ATOM 868 CG1 ILE A 92 16.260 4.580 -3.330 1.00 0.00 C ATOM 869 CG2 ILE A 92 17.670 3.840 -5.210 1.00 0.00 C ATOM 870 CD1 ILE A 92 15.440 4.060 -2.150 1.00 0.00 C ATOM 0 H ILE A 92 14.157 1.984 -4.855 1.00 0.00 H new ATOM 0 HA ILE A 92 14.892 4.828 -5.469 1.00 0.00 H new ATOM 0 HB ILE A 92 16.250 2.588 -4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 92 17.275 4.785 -2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 92 15.837 5.528 -3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 92 18.473 3.726 -4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 92 17.795 3.107 -6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 92 17.703 4.844 -5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 92 15.447 4.799 -1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 92 14.413 3.882 -2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 92 15.874 3.128 -1.788 1.00 0.00 H new ATOM 872 N ASP A 93 15.140 4.380 -7.790 1.00 0.00 N ATOM 873 CA ASP A 93 15.400 4.250 -9.230 1.00 0.00 C ATOM 874 C ASP A 93 16.870 4.570 -9.520 1.00 0.00 C ATOM 875 O ASP A 93 17.240 5.700 -9.830 1.00 0.00 O ATOM 876 CB ASP A 93 14.480 5.170 -10.050 1.00 0.00 C ATOM 877 CG ASP A 93 13.570 4.400 -11.010 1.00 0.00 C ATOM 878 OD1 ASP A 93 13.940 3.270 -11.390 1.00 0.00 O ATOM 879 OD2 ASP A 93 12.500 4.960 -11.350 1.00 0.00 O ATOM 0 H ASP A 93 14.772 5.290 -7.513 1.00 0.00 H new ATOM 0 HA ASP A 93 15.189 3.222 -9.526 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.866 5.761 -9.370 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.090 5.871 -10.619 1.00 0.00 H new ATOM 881 N GLN A 94 17.690 3.530 -9.410 1.00 0.00 N ATOM 882 CA GLN A 94 19.140 3.640 -9.660 1.00 0.00 C ATOM 883 C GLN A 94 19.440 3.920 -11.140 1.00 0.00 C ATOM 884 O GLN A 94 20.300 4.740 -11.450 1.00 0.00 O ATOM 885 CB GLN A 94 19.900 2.380 -9.250 1.00 0.00 C ATOM 886 CG GLN A 94 19.500 1.890 -7.860 1.00 0.00 C ATOM 887 CD GLN A 94 18.910 0.490 -7.990 1.00 0.00 C ATOM 888 OE1 GLN A 94 17.850 0.270 -8.560 1.00 0.00 O ATOM 889 NE2 GLN A 94 19.700 -0.480 -7.590 1.00 0.00 N ATOM 0 H GLN A 94 17.382 2.593 -9.149 1.00 0.00 H new ATOM 0 HA GLN A 94 19.478 4.476 -9.047 1.00 0.00 H new ATOM 0 HB2 GLN A 94 19.712 1.592 -9.979 1.00 0.00 H new ATOM 0 HB3 GLN A 94 20.971 2.582 -9.268 1.00 0.00 H new ATOM 0 HG2 GLN A 94 20.367 1.875 -7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 94 18.772 2.568 -7.415 1.00 0.00 H new ATOM 0 HE21 GLN A 94 20.577 -0.261 -7.118 1.00 0.00 H new ATOM 0 HE22 GLN A 94 19.436 -1.452 -7.752 1.00 0.00 H new ATOM 893 N THR A 95 18.560 3.390 -11.990 1.00 0.00 N ATOM 894 CA THR A 95 18.550 3.630 -13.460 1.00 0.00 C ATOM 895 C THR A 95 18.480 5.120 -13.820 1.00 0.00 C ATOM 896 O THR A 95 19.040 5.570 -14.820 1.00 0.00 O ATOM 897 CB THR A 95 17.410 2.850 -14.160 1.00 0.00 C ATOM 898 OG1 THR A 95 17.270 3.320 -15.500 1.00 0.00 O ATOM 899 CG2 THR A 95 16.050 2.930 -13.460 1.00 0.00 C ATOM 0 H THR A 95 17.813 2.767 -11.684 1.00 0.00 H new ATOM 0 HA THR A 95 19.504 3.253 -13.829 1.00 0.00 H new ATOM 0 HB THR A 95 17.706 1.802 -14.124 1.00 0.00 H new ATOM 0 HG1 THR A 95 16.550 2.827 -15.946 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.316 2.354 -14.024 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.135 2.523 -12.452 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.730 3.970 -13.405 1.00 0.00 H new ATOM 902 N CYS A 96 17.880 5.910 -12.930 1.00 0.00 N ATOM 903 CA CYS A 96 17.780 7.360 -13.110 1.00 0.00 C ATOM 904 C CYS A 96 19.150 8.040 -12.880 1.00 0.00 C ATOM 905 O CYS A 96 19.540 8.200 -11.700 1.00 0.00 O ATOM 906 CB CYS A 96 16.690 7.840 -12.160 1.00 0.00 C ATOM 907 SG CYS A 96 15.840 9.380 -12.650 1.00 0.00 S ATOM 908 OXT CYS A 96 19.800 8.350 -13.900 1.00 0.00 O ATOM 0 H CYS A 96 17.452 5.567 -12.070 1.00 0.00 H new ATOM 0 HA CYS A 96 17.508 7.628 -14.131 1.00 0.00 H new ATOM 0 HB2 CYS A 96 15.945 7.050 -12.061 1.00 0.00 H new ATOM 0 HB3 CYS A 96 17.131 7.987 -11.174 1.00 0.00 H new TER 910 CYS A 96