USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 233 hydrogens (88 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: C 10 DT C7 :methyl -30:sc= 0 (180deg=0) USER MOD Set 1.2: C 11 DT C7 :methyl 150:sc= -0.0972 (180deg=-0.0972) USER MOD Set 2.1: A 18 GLN : amide:sc= -2.46 K(o=-1.5,f=-5.3!) USER MOD Set 2.2: A 21 SER OG : rot 65:sc= 1.85 USER MOD Set 2.3: B 6 DT C7 :methyl 150:sc= -0.908 (180deg=-0.00726) USER MOD Set 2.4: C 4 DT C7 :methyl -30:sc= -0.0172 (180deg=-0.896) USER MOD Set 3.1: A 29 HIS : no HE2:sc= 3.44 K(o=3.4,f=-8.7!) USER MOD Set 3.2: B 3 DT C7 :methyl -30:sc=-0.00802 (180deg=-0.0514) USER MOD Set 4.1: A 7 TYR OH : rot 15:sc= 0.635 USER MOD Set 4.2: A 17 TYR OH : rot 63:sc= 2.94 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.201 (180deg=-0.931) USER MOD Single : A 1 MET N :NH3+ -149:sc= 0 (180deg=-0.15) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -79:sc= 0.61 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 90:sc= 1.48 USER MOD Single : A 19 THR OG1 : rot -66:sc= 0.0843 USER MOD Single : A 25 ASN : amide:sc= 0.106 X(o=0.11,f=0.018) USER MOD Single : A 26 GLN : amide:sc= -0.532 K(o=-0.53,f=0) USER MOD Single : A 28 SER OG : rot 130:sc= 0.0859 USER MOD Single : A 31 SER OG : rot 74:sc= 0.162 USER MOD Single : A 33 LYS NZ :NH3+ 168:sc=-0.00215 (180deg=-0.155) USER MOD Single : A 34 THR OG1 : rot 162:sc= 1.3 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 177:sc= -0.0226 (180deg=-0.041) USER MOD Single : A 46 ASN : amide:sc= -0.0289 K(o=-0.029,f=-2.7!) USER MOD Single : A 47 TYR OH : rot -38:sc= 1.35 USER MOD Single : A 50 ASN : amide:sc= 0.176 K(o=0.18,f=-2.1!) USER MOD Single : B 1 DA O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -2.13! (180deg=-2.13!) USER MOD Single : B 11 DG O3' : rot 180:sc= 0 USER MOD Single : C 1 DC O5' : rot 180:sc= 0 USER MOD Single : C 11 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA B 1 7.850 31.870 48.800 1.00 0.00 O ATOM 2 C5' DA B 1 7.900 31.760 47.370 1.00 0.00 C ATOM 3 C4' DA B 1 9.300 31.550 46.800 1.00 0.00 C ATOM 4 O4' DA B 1 10.200 30.670 47.500 1.00 0.00 O ATOM 5 C3' DA B 1 9.200 31.020 45.380 1.00 0.00 C ATOM 6 O3' DA B 1 9.670 32.030 44.480 1.00 0.00 O ATOM 7 C2' DA B 1 10.030 29.770 45.340 1.00 0.00 C ATOM 8 C1' DA B 1 11.000 30.210 46.410 1.00 0.00 C ATOM 9 N9 DA B 1 11.900 29.180 46.870 1.00 0.00 N ATOM 10 C8 DA B 1 11.620 27.890 47.020 1.00 0.00 C ATOM 11 N7 DA B 1 12.680 27.270 47.540 1.00 0.00 N ATOM 12 C5 DA B 1 13.620 28.200 47.710 1.00 0.00 C ATOM 13 C6 DA B 1 14.900 28.250 48.260 1.00 0.00 C ATOM 14 N6 DA B 1 15.490 27.150 48.660 1.00 0.00 N ATOM 15 N1 DA B 1 15.610 29.400 48.300 1.00 0.00 N ATOM 16 C2 DA B 1 15.110 30.540 47.820 1.00 0.00 C ATOM 17 N3 DA B 1 13.880 30.540 47.310 1.00 0.00 N ATOM 18 C4 DA B 1 13.130 29.410 47.260 1.00 0.00 C ATOM 0 H5' DA B 1 7.476 32.664 46.934 1.00 0.00 H new ATOM 0 H5'' DA B 1 7.267 30.929 47.060 1.00 0.00 H new ATOM 0 H4' DA B 1 9.734 32.546 46.891 1.00 0.00 H new ATOM 0 H3' DA B 1 8.180 30.782 45.079 1.00 0.00 H new ATOM 0 H2' DA B 1 9.474 28.869 45.599 1.00 0.00 H new ATOM 0 H2'' DA B 1 10.499 29.589 44.373 1.00 0.00 H new ATOM 0 HO5' DA B 1 6.922 32.004 49.086 1.00 0.00 H new ATOM 0 H1' DA B 1 11.651 30.978 45.991 1.00 0.00 H new ATOM 0 H8 DA B 1 10.683 27.419 46.762 1.00 0.00 H new ATOM 0 H61 DA B 1 16.427 27.191 49.062 1.00 0.00 H new ATOM 0 H62 DA B 1 15.012 26.253 48.569 1.00 0.00 H new ATOM 0 H2 DA B 1 15.694 31.448 47.845 1.00 0.00 H new ATOM 22 P DA B 2 9.150 32.050 42.970 1.00 0.00 P ATOM 23 OP1 DA B 2 7.990 32.960 42.850 1.00 0.00 O ATOM 24 OP2 DA B 2 8.900 30.660 42.510 1.00 0.00 O ATOM 25 O5' DA B 2 10.470 32.550 42.230 1.00 0.00 O ATOM 26 C5' DA B 2 10.870 33.930 42.340 1.00 0.00 C ATOM 27 C4' DA B 2 12.350 34.160 42.010 1.00 0.00 C ATOM 28 O4' DA B 2 13.130 33.300 42.870 1.00 0.00 O ATOM 29 C3' DA B 2 12.670 33.760 40.570 1.00 0.00 C ATOM 30 O3' DA B 2 13.520 34.620 39.790 1.00 0.00 O ATOM 31 C2' DA B 2 13.250 32.370 40.700 1.00 0.00 C ATOM 32 C1' DA B 2 13.920 32.390 42.070 1.00 0.00 C ATOM 33 N9 DA B 2 13.900 31.060 42.730 1.00 0.00 N ATOM 34 C8 DA B 2 12.800 30.340 42.990 1.00 0.00 C ATOM 35 N7 DA B 2 13.130 29.220 43.650 1.00 0.00 N ATOM 36 C5 DA B 2 14.450 29.210 43.810 1.00 0.00 C ATOM 37 C6 DA B 2 15.420 28.420 44.460 1.00 0.00 C ATOM 38 N6 DA B 2 15.240 27.200 44.920 1.00 0.00 N ATOM 39 N1 DA B 2 16.710 28.800 44.550 1.00 0.00 N ATOM 40 C2 DA B 2 17.120 29.950 44.010 1.00 0.00 C ATOM 41 N3 DA B 2 16.250 30.710 43.350 1.00 0.00 N ATOM 42 C4 DA B 2 14.930 30.390 43.240 1.00 0.00 C ATOM 0 H5' DA B 2 10.672 34.279 43.354 1.00 0.00 H new ATOM 0 H5'' DA B 2 10.257 34.533 41.670 1.00 0.00 H new ATOM 0 H4' DA B 2 12.577 35.217 42.148 1.00 0.00 H new ATOM 0 H3' DA B 2 11.752 33.832 39.987 1.00 0.00 H new ATOM 0 H2' DA B 2 12.476 31.605 40.643 1.00 0.00 H new ATOM 0 H2'' DA B 2 13.966 32.158 39.906 1.00 0.00 H new ATOM 0 H1' DA B 2 14.965 32.683 41.966 1.00 0.00 H new ATOM 0 H8 DA B 2 11.796 30.620 42.709 1.00 0.00 H new ATOM 0 H61 DA B 2 16.008 26.709 45.378 1.00 0.00 H new ATOM 0 H62 DA B 2 14.332 26.746 44.819 1.00 0.00 H new ATOM 0 H2 DA B 2 18.150 30.261 44.108 1.00 0.00 H new ATOM 45 P DT B 3 13.250 34.690 38.200 1.00 0.00 P ATOM 46 OP1 DT B 3 12.620 36.010 37.990 1.00 0.00 O ATOM 47 OP2 DT B 3 12.510 33.480 37.750 1.00 0.00 O ATOM 48 O5' DT B 3 14.700 34.750 37.510 1.00 0.00 O ATOM 49 C5' DT B 3 15.270 33.610 36.840 1.00 0.00 C ATOM 50 C4' DT B 3 16.480 32.990 37.540 1.00 0.00 C ATOM 51 O4' DT B 3 16.200 32.300 38.780 1.00 0.00 O ATOM 52 C3' DT B 3 17.140 31.960 36.660 1.00 0.00 C ATOM 53 O3' DT B 3 17.930 32.620 35.660 1.00 0.00 O ATOM 54 C2' DT B 3 18.050 31.310 37.690 1.00 0.00 C ATOM 55 C1' DT B 3 17.330 31.440 39.020 1.00 0.00 C ATOM 56 N1 DT B 3 16.880 30.140 39.610 1.00 0.00 N ATOM 57 C2 DT B 3 17.790 29.340 40.350 1.00 0.00 C ATOM 58 O2 DT B 3 19.000 29.370 40.150 1.00 0.00 O ATOM 59 N3 DT B 3 17.330 28.240 41.060 1.00 0.00 N ATOM 60 C4 DT B 3 15.990 27.880 40.970 1.00 0.00 C ATOM 61 O4 DT B 3 15.610 26.960 41.690 1.00 0.00 O ATOM 62 C5 DT B 3 15.070 28.610 40.210 1.00 0.00 C ATOM 63 C7 DT B 3 13.700 28.010 39.860 1.00 0.00 C ATOM 64 C6 DT B 3 15.510 29.770 39.560 1.00 0.00 C ATOM 0 H5' DT B 3 15.564 33.908 35.834 1.00 0.00 H new ATOM 0 H5'' DT B 3 14.499 32.846 36.734 1.00 0.00 H new ATOM 0 H4' DT B 3 17.107 33.856 37.752 1.00 0.00 H new ATOM 0 H3' DT B 3 16.470 31.285 36.128 1.00 0.00 H new ATOM 0 H2' DT B 3 18.233 30.264 37.445 1.00 0.00 H new ATOM 0 H2'' DT B 3 19.021 31.804 37.721 1.00 0.00 H new ATOM 0 H1' DT B 3 18.024 31.845 39.757 1.00 0.00 H new ATOM 0 H3 DT B 3 17.970 27.700 41.643 1.00 0.00 H new ATOM 0 H71 DT B 3 13.785 26.926 39.788 1.00 0.00 H new ATOM 0 H72 DT B 3 12.981 28.267 40.638 1.00 0.00 H new ATOM 0 H73 DT B 3 13.360 28.411 38.905 1.00 0.00 H new ATOM 0 H6 DT B 3 14.805 30.385 39.019 1.00 0.00 H new ATOM 66 P DT B 4 18.620 31.900 34.410 1.00 0.00 P ATOM 67 OP1 DT B 4 19.280 33.010 33.700 1.00 0.00 O ATOM 68 OP2 DT B 4 17.640 31.110 33.640 1.00 0.00 O ATOM 69 O5' DT B 4 19.770 30.920 34.990 1.00 0.00 O ATOM 70 C5' DT B 4 20.960 31.410 35.650 1.00 0.00 C ATOM 71 C4' DT B 4 21.880 30.340 36.230 1.00 0.00 C ATOM 72 O4' DT B 4 21.240 29.420 37.140 1.00 0.00 O ATOM 73 C3' DT B 4 22.590 29.450 35.230 1.00 0.00 C ATOM 74 O3' DT B 4 23.970 29.340 35.680 1.00 0.00 O ATOM 75 C2' DT B 4 21.790 28.180 35.160 1.00 0.00 C ATOM 76 C1' DT B 4 21.220 28.110 36.560 1.00 0.00 C ATOM 77 N1 DT B 4 19.800 27.680 36.640 1.00 0.00 N ATOM 78 C2 DT B 4 19.450 26.970 37.790 1.00 0.00 C ATOM 79 O2 DT B 4 20.270 26.460 38.540 1.00 0.00 O ATOM 80 N3 DT B 4 18.110 26.850 38.130 1.00 0.00 N ATOM 81 C4 DT B 4 17.130 27.410 37.330 1.00 0.00 C ATOM 82 O4 DT B 4 15.980 27.200 37.710 1.00 0.00 O ATOM 83 C5 DT B 4 17.440 28.110 36.160 1.00 0.00 C ATOM 84 C7 DT B 4 16.330 28.690 35.280 1.00 0.00 C ATOM 85 C6 DT B 4 18.790 28.230 35.810 1.00 0.00 C ATOM 0 H5' DT B 4 20.658 32.079 36.455 1.00 0.00 H new ATOM 0 H5'' DT B 4 21.530 32.006 34.937 1.00 0.00 H new ATOM 0 H4' DT B 4 22.595 30.988 36.737 1.00 0.00 H new ATOM 0 H3' DT B 4 22.649 29.820 34.206 1.00 0.00 H new ATOM 0 H2' DT B 4 21.010 28.227 34.400 1.00 0.00 H new ATOM 0 H2'' DT B 4 22.411 27.315 34.925 1.00 0.00 H new ATOM 0 H1' DT B 4 21.840 27.374 37.072 1.00 0.00 H new ATOM 0 H3 DT B 4 17.846 26.345 38.976 1.00 0.00 H new ATOM 0 H71 DT B 4 16.696 29.584 34.776 1.00 0.00 H new ATOM 0 H72 DT B 4 16.031 27.951 34.537 1.00 0.00 H new ATOM 0 H73 DT B 4 15.472 28.948 35.900 1.00 0.00 H new ATOM 0 H6 DT B 4 19.064 28.745 34.901 1.00 0.00 H new ATOM 87 P DG B 5 25.160 28.750 34.770 1.00 0.00 P ATOM 88 OP1 DG B 5 26.460 29.280 35.250 1.00 0.00 O ATOM 89 OP2 DG B 5 24.810 28.960 33.350 1.00 0.00 O ATOM 90 O5' DG B 5 25.080 27.200 35.150 1.00 0.00 O ATOM 91 C5' DG B 5 25.230 26.820 36.530 1.00 0.00 C ATOM 92 C4' DG B 5 24.650 25.440 36.790 1.00 0.00 C ATOM 93 O4' DG B 5 23.220 25.260 36.700 1.00 0.00 O ATOM 94 C3' DG B 5 25.250 24.380 35.910 1.00 0.00 C ATOM 95 O3' DG B 5 26.070 23.620 36.830 1.00 0.00 O ATOM 96 C2' DG B 5 24.100 23.700 35.210 1.00 0.00 C ATOM 97 C1' DG B 5 22.990 23.900 36.250 1.00 0.00 C ATOM 98 N9 DG B 5 21.610 23.780 35.750 1.00 0.00 N ATOM 99 C8 DG B 5 21.120 24.570 34.820 1.00 0.00 C ATOM 100 N7 DG B 5 19.790 24.440 34.750 1.00 0.00 N ATOM 101 C5 DG B 5 19.440 23.520 35.650 1.00 0.00 C ATOM 102 C6 DG B 5 18.240 22.870 35.960 1.00 0.00 C ATOM 103 O6 DG B 5 17.200 23.150 35.380 1.00 0.00 O ATOM 104 N1 DG B 5 18.240 21.820 36.870 1.00 0.00 N ATOM 105 C2 DG B 5 19.430 21.420 37.460 1.00 0.00 C ATOM 106 N2 DG B 5 19.410 20.230 38.000 1.00 0.00 N ATOM 107 N3 DG B 5 20.570 22.060 37.180 1.00 0.00 N ATOM 108 C4 DG B 5 20.610 23.090 36.290 1.00 0.00 C ATOM 0 H5' DG B 5 24.732 27.552 37.167 1.00 0.00 H new ATOM 0 H5'' DG B 5 26.286 26.829 36.799 1.00 0.00 H new ATOM 0 H4' DG B 5 24.919 25.340 37.842 1.00 0.00 H new ATOM 0 H3' DG B 5 25.899 24.675 35.085 1.00 0.00 H new ATOM 0 H2' DG B 5 23.862 24.165 34.253 1.00 0.00 H new ATOM 0 H2'' DG B 5 24.299 22.647 35.011 1.00 0.00 H new ATOM 0 H1' DG B 5 23.049 23.121 37.010 1.00 0.00 H new ATOM 0 H8 DG B 5 21.708 25.231 34.200 1.00 0.00 H new ATOM 0 H1 DG B 5 17.368 21.345 37.103 1.00 0.00 H new ATOM 0 H21 DG B 5 20.246 19.862 38.454 1.00 0.00 H new ATOM 0 H22 DG B 5 18.559 19.669 37.967 1.00 0.00 H new ATOM 112 P DT B 6 27.020 22.390 36.430 1.00 0.00 P ATOM 113 OP1 DT B 6 28.060 22.220 37.470 1.00 0.00 O ATOM 114 OP2 DT B 6 27.370 22.520 35.010 1.00 0.00 O ATOM 115 O5' DT B 6 26.040 21.150 36.590 1.00 0.00 O ATOM 116 C5' DT B 6 25.450 20.770 37.840 1.00 0.00 C ATOM 117 C4' DT B 6 24.400 19.730 37.510 1.00 0.00 C ATOM 118 O4' DT B 6 23.340 20.260 36.700 1.00 0.00 O ATOM 119 C3' DT B 6 25.000 18.610 36.690 1.00 0.00 C ATOM 120 O3' DT B 6 25.280 17.510 37.570 1.00 0.00 O ATOM 121 C2' DT B 6 24.060 18.330 35.550 1.00 0.00 C ATOM 122 C1' DT B 6 22.840 19.110 36.010 1.00 0.00 C ATOM 123 N1 DT B 6 21.990 19.580 34.910 1.00 0.00 N ATOM 124 C2 DT B 6 20.620 19.290 35.020 1.00 0.00 C ATOM 125 O2 DT B 6 20.230 18.240 35.520 1.00 0.00 O ATOM 126 N3 DT B 6 19.700 20.060 34.320 1.00 0.00 N ATOM 127 C4 DT B 6 20.130 21.060 33.460 1.00 0.00 C ATOM 128 O4 DT B 6 19.250 21.750 32.960 1.00 0.00 O ATOM 129 C5 DT B 6 21.500 21.310 33.260 1.00 0.00 C ATOM 130 C7 DT B 6 21.980 22.170 32.080 1.00 0.00 C ATOM 131 C6 DT B 6 22.420 20.600 34.030 1.00 0.00 C ATOM 0 H5' DT B 6 25.003 21.631 38.338 1.00 0.00 H new ATOM 0 H5'' DT B 6 26.201 20.364 38.518 1.00 0.00 H new ATOM 0 H4' DT B 6 24.019 19.388 38.472 1.00 0.00 H new ATOM 0 H3' DT B 6 25.958 18.855 36.230 1.00 0.00 H new ATOM 0 H2' DT B 6 24.446 18.687 34.595 1.00 0.00 H new ATOM 0 H2'' DT B 6 23.854 17.266 35.433 1.00 0.00 H new ATOM 0 H1' DT B 6 22.223 18.453 36.624 1.00 0.00 H new ATOM 0 H3 DT B 6 18.702 19.889 34.439 1.00 0.00 H new ATOM 0 H71 DT B 6 22.903 22.681 32.354 1.00 0.00 H new ATOM 0 H72 DT B 6 22.162 21.532 31.215 1.00 0.00 H new ATOM 0 H73 DT B 6 21.216 22.907 31.833 1.00 0.00 H new ATOM 0 H6 DT B 6 23.472 20.831 33.954 1.00 0.00 H new ATOM 133 P DG B 7 26.020 16.170 37.090 1.00 0.00 P ATOM 134 OP1 DG B 7 26.480 15.600 38.380 1.00 0.00 O ATOM 135 OP2 DG B 7 27.020 16.510 36.050 1.00 0.00 O ATOM 136 O5' DG B 7 24.810 15.370 36.420 1.00 0.00 O ATOM 137 C5' DG B 7 23.610 15.000 37.140 1.00 0.00 C ATOM 138 C4' DG B 7 22.560 14.450 36.190 1.00 0.00 C ATOM 139 O4' DG B 7 22.010 15.510 35.390 1.00 0.00 O ATOM 140 C3' DG B 7 23.160 13.480 35.180 1.00 0.00 C ATOM 141 O3' DG B 7 22.310 12.320 35.050 1.00 0.00 O ATOM 142 C2' DG B 7 23.300 14.280 33.920 1.00 0.00 C ATOM 143 C1' DG B 7 21.900 14.920 34.090 1.00 0.00 C ATOM 144 N9 DG B 7 21.510 15.970 33.140 1.00 0.00 N ATOM 145 C8 DG B 7 22.350 16.810 32.550 1.00 0.00 C ATOM 146 N7 DG B 7 21.660 17.780 31.950 1.00 0.00 N ATOM 147 C5 DG B 7 20.380 17.500 32.110 1.00 0.00 C ATOM 148 C6 DG B 7 19.210 18.060 31.590 1.00 0.00 C ATOM 149 O6 DG B 7 19.250 19.070 30.890 1.00 0.00 O ATOM 150 N1 DG B 7 17.980 17.450 31.860 1.00 0.00 N ATOM 151 C2 DG B 7 17.940 16.300 32.640 1.00 0.00 C ATOM 152 N2 DG B 7 16.920 15.490 32.620 1.00 0.00 N ATOM 153 N3 DG B 7 19.070 15.780 33.140 1.00 0.00 N ATOM 154 C4 DG B 7 20.270 16.350 32.880 1.00 0.00 C ATOM 0 H5' DG B 7 23.213 15.869 37.665 1.00 0.00 H new ATOM 0 H5'' DG B 7 23.850 14.253 37.896 1.00 0.00 H new ATOM 0 H4' DG B 7 21.817 13.960 36.819 1.00 0.00 H new ATOM 0 H3' DG B 7 24.131 13.079 35.472 1.00 0.00 H new ATOM 0 H2' DG B 7 24.124 14.994 33.931 1.00 0.00 H new ATOM 0 H2'' DG B 7 23.412 13.679 33.018 1.00 0.00 H new ATOM 0 H1' DG B 7 21.137 14.159 33.929 1.00 0.00 H new ATOM 0 H8 DG B 7 23.426 16.722 32.555 1.00 0.00 H new ATOM 0 H1 DG B 7 17.118 17.847 31.487 1.00 0.00 H new ATOM 0 H21 DG B 7 16.921 14.654 33.204 1.00 0.00 H new ATOM 0 H22 DG B 7 16.120 15.692 32.020 1.00 0.00 H new ATOM 158 P DA B 8 23.020 10.950 34.640 1.00 0.00 P ATOM 159 OP1 DA B 8 24.010 10.640 35.700 1.00 0.00 O ATOM 160 OP2 DA B 8 23.480 11.010 33.240 1.00 0.00 O ATOM 161 O5' DA B 8 21.910 9.780 34.740 1.00 0.00 O ATOM 162 C5' DA B 8 20.490 10.020 34.890 1.00 0.00 C ATOM 163 C4' DA B 8 19.700 10.400 33.640 1.00 0.00 C ATOM 164 O4' DA B 8 19.970 11.710 33.080 1.00 0.00 O ATOM 165 C3' DA B 8 19.780 9.400 32.480 1.00 0.00 C ATOM 166 O3' DA B 8 18.520 8.720 32.270 1.00 0.00 O ATOM 167 C2' DA B 8 20.250 10.250 31.320 1.00 0.00 C ATOM 168 C1' DA B 8 19.640 11.580 31.690 1.00 0.00 C ATOM 169 N9 DA B 8 20.230 12.720 30.950 1.00 0.00 N ATOM 170 C8 DA B 8 21.530 12.940 30.770 1.00 0.00 C ATOM 171 N7 DA B 8 21.730 14.080 30.110 1.00 0.00 N ATOM 172 C5 DA B 8 20.520 14.590 29.840 1.00 0.00 C ATOM 173 C6 DA B 8 20.030 15.720 29.190 1.00 0.00 C ATOM 174 N6 DA B 8 20.820 16.630 28.660 1.00 0.00 N ATOM 175 N1 DA B 8 18.700 15.900 29.030 1.00 0.00 N ATOM 176 C2 DA B 8 17.820 15.020 29.500 1.00 0.00 C ATOM 177 N3 DA B 8 18.250 13.940 30.160 1.00 0.00 N ATOM 178 C4 DA B 8 19.570 13.710 30.360 1.00 0.00 C ATOM 0 H5' DA B 8 20.360 10.815 35.624 1.00 0.00 H new ATOM 0 H5'' DA B 8 20.040 9.121 35.311 1.00 0.00 H new ATOM 0 H4' DA B 8 18.698 10.397 34.069 1.00 0.00 H new ATOM 0 H3' DA B 8 20.464 8.569 32.654 1.00 0.00 H new ATOM 0 H2' DA B 8 21.337 10.296 31.254 1.00 0.00 H new ATOM 0 H2'' DA B 8 19.888 9.880 30.361 1.00 0.00 H new ATOM 0 H1' DA B 8 18.575 11.602 31.459 1.00 0.00 H new ATOM 0 H8 DA B 8 22.316 12.284 31.112 1.00 0.00 H new ATOM 0 H61 DA B 8 20.419 17.443 28.192 1.00 0.00 H new ATOM 0 H62 DA B 8 21.833 16.522 28.717 1.00 0.00 H new ATOM 0 H2 DA B 8 16.762 15.178 29.349 1.00 0.00 H new ATOM 181 P DG B 9 18.310 7.590 31.130 1.00 0.00 P ATOM 182 OP1 DG B 9 17.390 6.530 31.600 1.00 0.00 O ATOM 183 OP2 DG B 9 19.630 7.150 30.640 1.00 0.00 O ATOM 184 O5' DG B 9 17.550 8.360 29.930 1.00 0.00 O ATOM 185 C5' DG B 9 16.230 8.930 30.070 1.00 0.00 C ATOM 186 C4' DG B 9 15.680 9.660 28.830 1.00 0.00 C ATOM 187 O4' DG B 9 16.430 10.860 28.510 1.00 0.00 O ATOM 188 C3' DG B 9 15.770 8.800 27.580 1.00 0.00 C ATOM 189 O3' DG B 9 14.640 8.970 26.690 1.00 0.00 O ATOM 190 C2' DG B 9 17.090 9.170 27.000 1.00 0.00 C ATOM 191 C1' DG B 9 16.960 10.680 27.180 1.00 0.00 C ATOM 192 N9 DG B 9 18.250 11.390 27.130 1.00 0.00 N ATOM 193 C8 DG B 9 19.360 11.020 27.750 1.00 0.00 C ATOM 194 N7 DG B 9 20.310 11.940 27.560 1.00 0.00 N ATOM 195 C5 DG B 9 19.770 12.920 26.820 1.00 0.00 C ATOM 196 C6 DG B 9 20.230 14.150 26.340 1.00 0.00 C ATOM 197 O6 DG B 9 21.420 14.420 26.270 1.00 0.00 O ATOM 198 N1 DG B 9 19.350 15.010 25.670 1.00 0.00 N ATOM 199 C2 DG B 9 18.040 14.610 25.490 1.00 0.00 C ATOM 200 N2 DG B 9 17.290 15.310 24.700 1.00 0.00 N ATOM 201 N3 DG B 9 17.610 13.400 25.890 1.00 0.00 N ATOM 202 C4 DG B 9 18.450 12.570 26.560 1.00 0.00 C ATOM 0 H5' DG B 9 16.244 9.631 30.904 1.00 0.00 H new ATOM 0 H5'' DG B 9 15.537 8.132 30.336 1.00 0.00 H new ATOM 0 H4' DG B 9 14.649 9.895 29.093 1.00 0.00 H new ATOM 0 H3' DG B 9 15.716 7.731 27.788 1.00 0.00 H new ATOM 0 H2' DG B 9 17.933 8.744 27.545 1.00 0.00 H new ATOM 0 H2'' DG B 9 17.200 8.870 25.958 1.00 0.00 H new ATOM 0 H1' DG B 9 16.341 11.079 26.377 1.00 0.00 H new ATOM 0 H8 DG B 9 19.479 10.112 28.323 1.00 0.00 H new ATOM 0 H1 DG B 9 19.670 15.914 25.322 1.00 0.00 H new ATOM 0 H21 DG B 9 16.318 15.040 24.547 1.00 0.00 H new ATOM 0 H22 DG B 9 17.671 16.132 24.231 1.00 0.00 H new ATOM 206 P DC B 10 14.360 7.930 25.490 1.00 0.00 P ATOM 207 OP1 DC B 10 12.950 7.480 25.480 1.00 0.00 O ATOM 208 OP2 DC B 10 15.390 6.870 25.420 1.00 0.00 O ATOM 209 O5' DC B 10 14.640 8.880 24.240 1.00 0.00 O ATOM 210 C5' DC B 10 13.620 9.790 23.810 1.00 0.00 C ATOM 211 C4' DC B 10 14.050 10.610 22.610 1.00 0.00 C ATOM 212 O4' DC B 10 15.140 11.500 22.950 1.00 0.00 O ATOM 213 C3' DC B 10 14.530 9.640 21.550 1.00 0.00 C ATOM 214 O3' DC B 10 13.940 9.880 20.270 1.00 0.00 O ATOM 215 C2' DC B 10 16.010 9.830 21.550 1.00 0.00 C ATOM 216 C1' DC B 10 16.120 11.300 21.920 1.00 0.00 C ATOM 217 N1 DC B 10 17.390 11.610 22.610 1.00 0.00 N ATOM 218 C2 DC B 10 18.030 12.860 22.480 1.00 0.00 C ATOM 219 O2 DC B 10 17.680 13.660 21.620 1.00 0.00 O ATOM 220 N3 DC B 10 19.260 13.030 23.030 1.00 0.00 N ATOM 221 C4 DC B 10 19.890 12.020 23.650 1.00 0.00 C ATOM 222 N4 DC B 10 21.130 12.210 24.020 1.00 0.00 N ATOM 223 C5 DC B 10 19.320 10.750 23.810 1.00 0.00 C ATOM 224 C6 DC B 10 18.060 10.570 23.280 1.00 0.00 C ATOM 0 H5' DC B 10 13.363 10.459 24.631 1.00 0.00 H new ATOM 0 H5'' DC B 10 12.718 9.230 23.561 1.00 0.00 H new ATOM 0 H4' DC B 10 13.212 11.214 22.262 1.00 0.00 H new ATOM 0 H3' DC B 10 14.241 8.611 21.765 1.00 0.00 H new ATOM 0 H2' DC B 10 16.507 9.185 22.274 1.00 0.00 H new ATOM 0 H2'' DC B 10 16.452 9.617 20.577 1.00 0.00 H new ATOM 0 H1' DC B 10 16.020 11.896 21.013 1.00 0.00 H new ATOM 0 H41 DC B 10 21.641 11.465 24.494 1.00 0.00 H new ATOM 0 H42 DC B 10 21.586 13.103 23.835 1.00 0.00 H new ATOM 0 H5 DC B 10 19.840 9.954 24.322 1.00 0.00 H new ATOM 0 H6 DC B 10 17.577 9.610 23.381 1.00 0.00 H new ATOM 227 P DG B 11 14.040 8.750 19.120 1.00 0.00 P ATOM 228 OP1 DG B 11 12.850 8.930 18.260 1.00 0.00 O ATOM 229 OP2 DG B 11 14.430 7.440 19.690 1.00 0.00 O ATOM 230 O5' DG B 11 15.380 9.170 18.360 1.00 0.00 O ATOM 231 C5' DG B 11 15.320 10.350 17.570 1.00 0.00 C ATOM 232 C4' DG B 11 16.690 10.940 17.350 1.00 0.00 C ATOM 233 O4' DG B 11 17.450 11.130 18.560 1.00 0.00 O ATOM 234 C3' DG B 11 17.560 10.110 16.420 1.00 0.00 C ATOM 235 O3' DG B 11 17.340 10.500 15.050 1.00 0.00 O ATOM 236 C2' DG B 11 18.970 10.410 16.910 1.00 0.00 C ATOM 237 C1' DG B 11 18.760 11.420 18.040 1.00 0.00 C ATOM 238 N9 DG B 11 19.800 11.300 19.090 1.00 0.00 N ATOM 239 C8 DG B 11 19.950 10.230 19.860 1.00 0.00 C ATOM 240 N7 DG B 11 21.030 10.350 20.640 1.00 0.00 N ATOM 241 C5 DG B 11 21.620 11.500 20.300 1.00 0.00 C ATOM 242 C6 DG B 11 22.840 12.100 20.630 1.00 0.00 C ATOM 243 O6 DG B 11 23.510 11.720 21.590 1.00 0.00 O ATOM 244 N1 DG B 11 23.250 13.250 19.940 1.00 0.00 N ATOM 245 C2 DG B 11 22.420 13.800 18.980 1.00 0.00 C ATOM 246 N2 DG B 11 22.830 14.820 18.260 1.00 0.00 N ATOM 247 N3 DG B 11 21.240 13.240 18.700 1.00 0.00 N ATOM 248 C4 DG B 11 20.830 12.110 19.320 1.00 0.00 C ATOM 0 H5' DG B 11 14.681 11.085 18.060 1.00 0.00 H new ATOM 0 H5'' DG B 11 14.863 10.121 16.607 1.00 0.00 H new ATOM 0 H4' DG B 11 16.461 11.907 16.902 1.00 0.00 H new ATOM 0 H3' DG B 11 17.348 9.041 16.438 1.00 0.00 H new ATOM 0 H2' DG B 11 19.469 9.509 17.267 1.00 0.00 H new ATOM 0 H2'' DG B 11 19.590 10.824 16.115 1.00 0.00 H new ATOM 0 HO3' DG B 11 17.907 9.960 14.461 1.00 0.00 H new ATOM 0 H1' DG B 11 18.838 12.446 17.680 1.00 0.00 H new ATOM 0 H8 DG B 11 19.289 9.376 19.857 1.00 0.00 H new ATOM 0 H1 DG B 11 24.153 13.677 20.145 1.00 0.00 H new ATOM 0 H21 DG B 11 22.216 15.224 17.552 1.00 0.00 H new ATOM 0 H22 DG B 11 23.762 15.207 18.409 1.00 0.00 H new TER 253 DG B 11 ATOM 254 O5' DC C 1 31.690 17.510 19.400 1.00 0.00 O ATOM 255 C5' DC C 1 30.410 18.150 19.490 1.00 0.00 C ATOM 256 C4' DC C 1 29.450 17.860 18.330 1.00 0.00 C ATOM 257 O4' DC C 1 28.900 16.550 18.620 1.00 0.00 O ATOM 258 C3' DC C 1 28.270 18.840 18.350 1.00 0.00 C ATOM 259 O3' DC C 1 27.840 19.190 17.010 1.00 0.00 O ATOM 260 C2' DC C 1 27.230 18.170 19.180 1.00 0.00 C ATOM 261 C1' DC C 1 27.490 16.720 18.840 1.00 0.00 C ATOM 262 N1 DC C 1 27.110 15.780 19.910 1.00 0.00 N ATOM 263 C2 DC C 1 26.380 14.630 19.550 1.00 0.00 C ATOM 264 O2 DC C 1 25.650 14.710 18.560 1.00 0.00 O ATOM 265 N3 DC C 1 26.070 13.730 20.500 1.00 0.00 N ATOM 266 C4 DC C 1 26.370 13.960 21.790 1.00 0.00 C ATOM 267 N4 DC C 1 25.790 13.160 22.670 1.00 0.00 N ATOM 268 C5 DC C 1 27.060 15.110 22.220 1.00 0.00 C ATOM 269 C6 DC C 1 27.460 16.010 21.250 1.00 0.00 C ATOM 0 H5' DC C 1 30.564 19.227 19.552 1.00 0.00 H new ATOM 0 H5'' DC C 1 29.933 17.842 20.421 1.00 0.00 H new ATOM 0 H4' DC C 1 29.966 17.934 17.373 1.00 0.00 H new ATOM 0 H3' DC C 1 28.527 19.807 18.783 1.00 0.00 H new ATOM 0 H2' DC C 1 27.355 18.374 20.243 1.00 0.00 H new ATOM 0 H2'' DC C 1 26.221 18.483 18.911 1.00 0.00 H new ATOM 0 HO5' DC C 1 32.233 17.753 20.179 1.00 0.00 H new ATOM 0 H1' DC C 1 26.883 16.497 17.962 1.00 0.00 H new ATOM 0 H41 DC C 1 25.974 13.279 23.666 1.00 0.00 H new ATOM 0 H42 DC C 1 25.159 12.424 22.352 1.00 0.00 H new ATOM 0 H5 DC C 1 27.268 15.282 23.266 1.00 0.00 H new ATOM 0 H6 DC C 1 28.037 16.882 21.521 1.00 0.00 H new ATOM 273 P DG C 2 27.280 20.660 16.670 1.00 0.00 P ATOM 274 OP1 DG C 2 27.280 20.790 15.190 1.00 0.00 O ATOM 275 OP2 DG C 2 28.090 21.620 17.460 1.00 0.00 O ATOM 276 O5' DG C 2 25.790 20.710 17.270 1.00 0.00 O ATOM 277 C5' DG C 2 24.620 20.460 16.470 1.00 0.00 C ATOM 278 C4' DG C 2 23.430 20.150 17.350 1.00 0.00 C ATOM 279 O4' DG C 2 23.710 19.020 18.190 1.00 0.00 O ATOM 280 C3' DG C 2 23.030 21.290 18.270 1.00 0.00 C ATOM 281 O3' DG C 2 21.910 22.040 17.730 1.00 0.00 O ATOM 282 C2' DG C 2 22.750 20.580 19.590 1.00 0.00 C ATOM 283 C1' DG C 2 22.710 19.110 19.200 1.00 0.00 C ATOM 284 N9 DG C 2 23.020 18.110 20.240 1.00 0.00 N ATOM 285 C8 DG C 2 24.070 18.090 21.060 1.00 0.00 C ATOM 286 N7 DG C 2 23.910 17.110 21.960 1.00 0.00 N ATOM 287 C5 DG C 2 22.740 16.520 21.720 1.00 0.00 C ATOM 288 C6 DG C 2 21.950 15.580 22.400 1.00 0.00 C ATOM 289 O6 DG C 2 22.400 14.840 23.280 1.00 0.00 O ATOM 290 N1 DG C 2 20.640 15.370 21.980 1.00 0.00 N ATOM 291 C2 DG C 2 20.150 16.050 20.880 1.00 0.00 C ATOM 292 N2 DG C 2 18.870 16.050 20.650 1.00 0.00 N ATOM 293 N3 DG C 2 20.930 16.890 20.190 1.00 0.00 N ATOM 294 C4 DG C 2 22.180 17.150 20.610 1.00 0.00 C ATOM 0 H5' DG C 2 24.807 19.625 15.794 1.00 0.00 H new ATOM 0 H5'' DG C 2 24.404 21.330 15.850 1.00 0.00 H new ATOM 0 H4' DG C 2 22.611 19.958 16.656 1.00 0.00 H new ATOM 0 H3' DG C 2 23.791 22.060 18.393 1.00 0.00 H new ATOM 0 H2' DG C 2 23.529 20.779 20.326 1.00 0.00 H new ATOM 0 H2'' DG C 2 21.806 20.905 20.028 1.00 0.00 H new ATOM 0 H1' DG C 2 21.684 18.864 18.925 1.00 0.00 H new ATOM 0 H8 DG C 2 24.917 18.758 21.008 1.00 0.00 H new ATOM 0 H1 DG C 2 20.042 14.715 22.483 1.00 0.00 H new ATOM 0 H21 DG C 2 18.497 16.548 19.842 1.00 0.00 H new ATOM 0 H22 DG C 2 18.239 15.552 21.278 1.00 0.00 H new ATOM 298 P DC C 3 21.270 23.340 18.420 1.00 0.00 P ATOM 299 OP1 DC C 3 20.460 24.060 17.410 1.00 0.00 O ATOM 300 OP2 DC C 3 22.300 24.060 19.200 1.00 0.00 O ATOM 301 O5' DC C 3 20.280 22.650 19.480 1.00 0.00 O ATOM 302 C5' DC C 3 19.160 21.860 19.040 1.00 0.00 C ATOM 303 C4' DC C 3 18.510 21.060 20.160 1.00 0.00 C ATOM 304 O4' DC C 3 19.370 20.130 20.820 1.00 0.00 O ATOM 305 C3' DC C 3 17.900 21.930 21.240 1.00 0.00 C ATOM 306 O3' DC C 3 16.480 21.840 21.140 1.00 0.00 O ATOM 307 C2' DC C 3 18.450 21.340 22.530 1.00 0.00 C ATOM 308 C1' DC C 3 18.740 19.910 22.090 1.00 0.00 C ATOM 309 N1 DC C 3 19.640 19.180 22.980 1.00 0.00 N ATOM 310 C2 DC C 3 19.130 18.240 23.900 1.00 0.00 C ATOM 311 O2 DC C 3 17.970 17.870 23.890 1.00 0.00 O ATOM 312 N3 DC C 3 19.930 17.770 24.880 1.00 0.00 N ATOM 313 C4 DC C 3 21.210 18.160 24.970 1.00 0.00 C ATOM 314 N4 DC C 3 21.930 17.380 25.750 1.00 0.00 N ATOM 315 C5 DC C 3 21.780 19.090 24.100 1.00 0.00 C ATOM 316 C6 DC C 3 20.980 19.610 23.080 1.00 0.00 C ATOM 0 H5' DC C 3 19.492 21.175 18.259 1.00 0.00 H new ATOM 0 H5'' DC C 3 18.414 22.517 18.592 1.00 0.00 H new ATOM 0 H4' DC C 3 17.740 20.509 19.620 1.00 0.00 H new ATOM 0 H3' DC C 3 18.140 22.991 21.173 1.00 0.00 H new ATOM 0 H2' DC C 3 19.347 21.857 22.871 1.00 0.00 H new ATOM 0 H2'' DC C 3 17.727 21.383 23.345 1.00 0.00 H new ATOM 0 H1' DC C 3 17.841 19.294 22.077 1.00 0.00 H new ATOM 0 H41 DC C 3 22.920 17.578 25.895 1.00 0.00 H new ATOM 0 H42 DC C 3 21.497 16.578 26.209 1.00 0.00 H new ATOM 0 H5 DC C 3 22.809 19.399 24.212 1.00 0.00 H new ATOM 0 H6 DC C 3 21.380 20.329 22.380 1.00 0.00 H new ATOM 319 P DT C 4 15.430 22.610 22.080 1.00 0.00 P ATOM 320 OP1 DT C 4 14.400 23.180 21.180 1.00 0.00 O ATOM 321 OP2 DT C 4 16.090 23.500 23.070 1.00 0.00 O ATOM 322 O5' DT C 4 14.770 21.410 22.920 1.00 0.00 O ATOM 323 C5' DT C 4 13.940 20.410 22.290 1.00 0.00 C ATOM 324 C4' DT C 4 13.570 19.260 23.210 1.00 0.00 C ATOM 325 O4' DT C 4 14.720 18.590 23.800 1.00 0.00 O ATOM 326 C3' DT C 4 12.700 19.740 24.360 1.00 0.00 C ATOM 327 O3' DT C 4 11.480 18.980 24.310 1.00 0.00 O ATOM 328 C2' DT C 4 13.570 19.670 25.580 1.00 0.00 C ATOM 329 C1' DT C 4 14.540 18.550 25.240 1.00 0.00 C ATOM 330 N1 DT C 4 15.850 18.750 25.910 1.00 0.00 N ATOM 331 C2 DT C 4 16.380 17.750 26.740 1.00 0.00 C ATOM 332 O2 DT C 4 15.650 16.890 27.240 1.00 0.00 O ATOM 333 N3 DT C 4 17.610 17.960 27.350 1.00 0.00 N ATOM 334 C4 DT C 4 18.290 19.170 27.200 1.00 0.00 C ATOM 335 O4 DT C 4 19.400 19.240 27.720 1.00 0.00 O ATOM 336 C5 DT C 4 17.760 20.200 26.400 1.00 0.00 C ATOM 337 C7 DT C 4 18.490 21.530 26.190 1.00 0.00 C ATOM 338 C6 DT C 4 16.520 19.970 25.770 1.00 0.00 C ATOM 0 H5' DT C 4 14.461 20.014 21.418 1.00 0.00 H new ATOM 0 H5'' DT C 4 13.027 20.883 21.928 1.00 0.00 H new ATOM 0 H4' DT C 4 13.039 18.555 22.570 1.00 0.00 H new ATOM 0 H3' DT C 4 12.348 20.771 24.335 1.00 0.00 H new ATOM 0 H2' DT C 4 14.088 20.612 25.762 1.00 0.00 H new ATOM 0 H2'' DT C 4 12.992 19.446 26.476 1.00 0.00 H new ATOM 0 H1' DT C 4 14.147 17.591 25.578 1.00 0.00 H new ATOM 0 H3 DT C 4 18.023 17.219 27.916 1.00 0.00 H new ATOM 0 H71 DT C 4 19.089 21.760 27.072 1.00 0.00 H new ATOM 0 H72 DT C 4 19.141 21.454 25.319 1.00 0.00 H new ATOM 0 H73 DT C 4 17.761 22.324 26.030 1.00 0.00 H new ATOM 0 H6 DT C 4 16.079 20.751 25.168 1.00 0.00 H new ATOM 340 P DC C 5 10.100 19.520 24.960 1.00 0.00 P ATOM 341 OP1 DC C 5 9.010 18.860 24.200 1.00 0.00 O ATOM 342 OP2 DC C 5 10.120 21.000 25.060 1.00 0.00 O ATOM 343 O5' DC C 5 10.250 18.890 26.430 1.00 0.00 O ATOM 344 C5' DC C 5 10.100 17.490 26.680 1.00 0.00 C ATOM 345 C4' DC C 5 10.860 17.030 27.920 1.00 0.00 C ATOM 346 O4' DC C 5 12.230 17.460 27.940 1.00 0.00 O ATOM 347 C3' DC C 5 10.270 17.510 29.240 1.00 0.00 C ATOM 348 O3' DC C 5 9.620 16.380 29.860 1.00 0.00 O ATOM 349 C2' DC C 5 11.430 17.860 30.110 1.00 0.00 C ATOM 350 C1' DC C 5 12.630 17.360 29.320 1.00 0.00 C ATOM 351 N1 DC C 5 13.760 18.270 29.580 1.00 0.00 N ATOM 352 C2 DC C 5 14.900 17.850 30.290 1.00 0.00 C ATOM 353 O2 DC C 5 15.010 16.710 30.750 1.00 0.00 O ATOM 354 N3 DC C 5 15.920 18.710 30.460 1.00 0.00 N ATOM 355 C4 DC C 5 15.870 19.950 29.950 1.00 0.00 C ATOM 356 N4 DC C 5 17.050 20.470 29.770 1.00 0.00 N ATOM 357 C5 DC C 5 14.760 20.470 29.270 1.00 0.00 C ATOM 358 C6 DC C 5 13.700 19.580 29.070 1.00 0.00 C ATOM 0 H5' DC C 5 10.453 16.930 25.814 1.00 0.00 H new ATOM 0 H5'' DC C 5 9.042 17.258 26.800 1.00 0.00 H new ATOM 0 H4' DC C 5 10.779 15.946 27.840 1.00 0.00 H new ATOM 0 H3' DC C 5 9.581 18.343 29.099 1.00 0.00 H new ATOM 0 H2' DC C 5 11.487 18.933 30.290 1.00 0.00 H new ATOM 0 H2'' DC C 5 11.361 17.376 31.084 1.00 0.00 H new ATOM 0 H1' DC C 5 12.930 16.345 29.582 1.00 0.00 H new ATOM 0 H41 DC C 5 17.140 21.411 29.387 1.00 0.00 H new ATOM 0 H42 DC C 5 17.885 19.936 30.012 1.00 0.00 H new ATOM 0 H5 DC C 5 14.726 21.492 28.923 1.00 0.00 H new ATOM 0 H6 DC C 5 12.828 19.901 28.519 1.00 0.00 H new ATOM 361 P DA C 6 8.520 16.510 31.020 1.00 0.00 P ATOM 362 OP1 DA C 6 7.410 15.610 30.650 1.00 0.00 O ATOM 363 OP2 DA C 6 8.150 17.920 31.270 1.00 0.00 O ATOM 364 O5' DA C 6 9.220 16.040 32.380 1.00 0.00 O ATOM 365 C5' DA C 6 9.910 14.790 32.480 1.00 0.00 C ATOM 366 C4' DA C 6 11.110 14.960 33.390 1.00 0.00 C ATOM 367 O4' DA C 6 12.020 15.980 32.930 1.00 0.00 O ATOM 368 C3' DA C 6 10.670 15.340 34.790 1.00 0.00 C ATOM 369 O3' DA C 6 10.710 14.140 35.610 1.00 0.00 O ATOM 370 C2' DA C 6 11.560 16.490 35.170 1.00 0.00 C ATOM 371 C1' DA C 6 12.660 16.480 34.130 1.00 0.00 C ATOM 372 N9 DA C 6 13.200 17.830 33.880 1.00 0.00 N ATOM 373 C8 DA C 6 12.530 18.880 33.440 1.00 0.00 C ATOM 374 N7 DA C 6 13.350 19.920 33.240 1.00 0.00 N ATOM 375 C5 DA C 6 14.560 19.510 33.600 1.00 0.00 C ATOM 376 C6 DA C 6 15.820 20.100 33.720 1.00 0.00 C ATOM 377 N6 DA C 6 16.080 21.240 33.080 1.00 0.00 N ATOM 378 N1 DA C 6 16.830 19.450 34.340 1.00 0.00 N ATOM 379 C2 DA C 6 16.670 18.210 34.820 1.00 0.00 C ATOM 380 N3 DA C 6 15.500 17.580 34.660 1.00 0.00 N ATOM 381 C4 DA C 6 14.460 18.190 34.050 1.00 0.00 C ATOM 0 H5' DA C 6 10.230 14.457 31.493 1.00 0.00 H new ATOM 0 H5'' DA C 6 9.244 14.023 32.875 1.00 0.00 H new ATOM 0 H4' DA C 6 11.623 13.998 33.385 1.00 0.00 H new ATOM 0 H3' DA C 6 9.645 15.690 34.910 1.00 0.00 H new ATOM 0 H2' DA C 6 11.014 17.434 35.161 1.00 0.00 H new ATOM 0 H2'' DA C 6 11.963 16.364 36.175 1.00 0.00 H new ATOM 0 H1' DA C 6 13.504 15.873 34.457 1.00 0.00 H new ATOM 0 H8 DA C 6 11.464 18.898 33.265 1.00 0.00 H new ATOM 0 H61 DA C 6 16.999 21.674 33.165 1.00 0.00 H new ATOM 0 H62 DA C 6 15.360 21.678 32.505 1.00 0.00 H new ATOM 0 H2 DA C 6 17.483 17.720 35.335 1.00 0.00 H new ATOM 384 P DC C 7 10.390 14.130 37.180 1.00 0.00 P ATOM 385 OP1 DC C 7 10.450 12.740 37.700 1.00 0.00 O ATOM 386 OP2 DC C 7 9.190 14.940 37.450 1.00 0.00 O ATOM 387 O5' DC C 7 11.670 14.870 37.800 1.00 0.00 O ATOM 388 C5' DC C 7 12.960 14.210 37.790 1.00 0.00 C ATOM 389 C4' DC C 7 14.060 15.070 38.400 1.00 0.00 C ATOM 390 O4' DC C 7 14.390 16.260 37.670 1.00 0.00 O ATOM 391 C3' DC C 7 13.730 15.520 39.810 1.00 0.00 C ATOM 392 O3' DC C 7 14.840 15.130 40.660 1.00 0.00 O ATOM 393 C2' DC C 7 13.570 17.020 39.690 1.00 0.00 C ATOM 394 C1' DC C 7 14.660 17.280 38.670 1.00 0.00 C ATOM 395 N1 DC C 7 14.610 18.600 38.030 1.00 0.00 N ATOM 396 C2 DC C 7 15.760 19.430 37.940 1.00 0.00 C ATOM 397 O2 DC C 7 16.800 19.200 38.540 1.00 0.00 O ATOM 398 N3 DC C 7 15.670 20.600 37.300 1.00 0.00 N ATOM 399 C4 DC C 7 14.510 21.010 36.760 1.00 0.00 C ATOM 400 N4 DC C 7 14.520 22.250 36.360 1.00 0.00 N ATOM 401 C5 DC C 7 13.330 20.270 36.810 1.00 0.00 C ATOM 402 C6 DC C 7 13.390 19.040 37.470 1.00 0.00 C ATOM 0 H5' DC C 7 13.227 13.958 36.764 1.00 0.00 H new ATOM 0 H5'' DC C 7 12.889 13.272 38.341 1.00 0.00 H new ATOM 0 H4' DC C 7 14.914 14.393 38.375 1.00 0.00 H new ATOM 0 H3' DC C 7 12.831 15.083 40.244 1.00 0.00 H new ATOM 0 H2' DC C 7 12.581 17.313 39.337 1.00 0.00 H new ATOM 0 H2'' DC C 7 13.739 17.541 40.633 1.00 0.00 H new ATOM 0 H1' DC C 7 15.642 17.253 39.142 1.00 0.00 H new ATOM 0 H41 DC C 7 13.686 22.656 35.936 1.00 0.00 H new ATOM 0 H42 DC C 7 15.362 22.815 36.471 1.00 0.00 H new ATOM 0 H5 DC C 7 12.416 20.629 36.361 1.00 0.00 H new ATOM 0 H6 DC C 7 12.505 18.427 37.552 1.00 0.00 H new ATOM 405 P DA C 8 14.940 15.420 42.240 1.00 0.00 P ATOM 406 OP1 DA C 8 15.710 14.320 42.860 1.00 0.00 O ATOM 407 OP2 DA C 8 13.650 15.780 42.860 1.00 0.00 O ATOM 408 O5' DA C 8 15.800 16.760 42.230 1.00 0.00 O ATOM 409 C5' DA C 8 17.180 16.700 41.850 1.00 0.00 C ATOM 410 C4' DA C 8 17.930 17.940 42.290 1.00 0.00 C ATOM 411 O4' DA C 8 17.620 18.990 41.360 1.00 0.00 O ATOM 412 C3' DA C 8 17.500 18.410 43.680 1.00 0.00 C ATOM 413 O3' DA C 8 18.590 18.780 44.570 1.00 0.00 O ATOM 414 C2' DA C 8 16.730 19.660 43.340 1.00 0.00 C ATOM 415 C1' DA C 8 17.530 20.180 42.160 1.00 0.00 C ATOM 416 N9 DA C 8 16.800 21.080 41.240 1.00 0.00 N ATOM 417 C8 DA C 8 15.520 20.960 40.940 1.00 0.00 C ATOM 418 N7 DA C 8 15.150 21.910 40.080 1.00 0.00 N ATOM 419 C5 DA C 8 16.240 22.640 39.830 1.00 0.00 C ATOM 420 C6 DA C 8 16.530 23.820 39.130 1.00 0.00 C ATOM 421 N6 DA C 8 15.590 24.660 38.750 1.00 0.00 N ATOM 422 N1 DA C 8 17.760 24.350 39.160 1.00 0.00 N ATOM 423 C2 DA C 8 18.750 23.820 39.870 1.00 0.00 C ATOM 424 N3 DA C 8 18.510 22.700 40.560 1.00 0.00 N ATOM 425 C4 DA C 8 17.290 22.100 40.560 1.00 0.00 C ATOM 0 H5' DA C 8 17.256 16.592 40.768 1.00 0.00 H new ATOM 0 H5'' DA C 8 17.642 15.817 42.292 1.00 0.00 H new ATOM 0 H4' DA C 8 18.994 17.705 42.321 1.00 0.00 H new ATOM 0 H3' DA C 8 16.971 17.620 44.213 1.00 0.00 H new ATOM 0 H2' DA C 8 15.694 19.447 43.075 1.00 0.00 H new ATOM 0 H2'' DA C 8 16.708 20.369 44.168 1.00 0.00 H new ATOM 0 H1' DA C 8 18.414 20.699 42.530 1.00 0.00 H new ATOM 0 H8 DA C 8 14.864 20.199 41.336 1.00 0.00 H new ATOM 0 H61 DA C 8 15.839 25.509 38.242 1.00 0.00 H new ATOM 0 H62 DA C 8 14.612 24.462 38.963 1.00 0.00 H new ATOM 0 H2 DA C 8 19.726 24.283 39.889 1.00 0.00 H new ATOM 428 P DA C 9 18.980 18.030 45.940 1.00 0.00 P ATOM 429 OP1 DA C 9 19.160 16.580 45.690 1.00 0.00 O ATOM 430 OP2 DA C 9 18.040 18.390 47.030 1.00 0.00 O ATOM 431 O5' DA C 9 20.370 18.690 46.380 1.00 0.00 O ATOM 432 C5' DA C 9 21.570 18.480 45.610 1.00 0.00 C ATOM 433 C4' DA C 9 22.280 19.750 45.150 1.00 0.00 C ATOM 434 O4' DA C 9 21.370 20.590 44.390 1.00 0.00 O ATOM 435 C3' DA C 9 22.840 20.620 46.280 1.00 0.00 C ATOM 436 O3' DA C 9 24.220 20.950 45.980 1.00 0.00 O ATOM 437 C2' DA C 9 21.890 21.770 46.330 1.00 0.00 C ATOM 438 C1' DA C 9 21.500 21.960 44.870 1.00 0.00 C ATOM 439 N9 DA C 9 20.210 22.660 44.800 1.00 0.00 N ATOM 440 C8 DA C 9 19.080 22.180 45.320 1.00 0.00 C ATOM 441 N7 DA C 9 18.040 22.870 44.860 1.00 0.00 N ATOM 442 C5 DA C 9 18.520 23.820 44.070 1.00 0.00 C ATOM 443 C6 DA C 9 17.970 24.910 43.380 1.00 0.00 C ATOM 444 N6 DA C 9 16.670 24.960 43.240 1.00 0.00 N ATOM 445 N1 DA C 9 18.750 25.810 42.750 1.00 0.00 N ATOM 446 C2 DA C 9 20.090 25.670 42.750 1.00 0.00 C ATOM 447 N3 DA C 9 20.650 24.640 43.380 1.00 0.00 N ATOM 448 C4 DA C 9 19.910 23.710 44.040 1.00 0.00 C ATOM 0 H5' DA C 9 21.319 17.885 44.732 1.00 0.00 H new ATOM 0 H5'' DA C 9 22.266 17.890 46.206 1.00 0.00 H new ATOM 0 H4' DA C 9 23.118 19.388 44.554 1.00 0.00 H new ATOM 0 H3' DA C 9 22.895 20.155 47.264 1.00 0.00 H new ATOM 0 H2' DA C 9 21.023 21.550 46.953 1.00 0.00 H new ATOM 0 H2'' DA C 9 22.360 22.663 46.741 1.00 0.00 H new ATOM 0 H1' DA C 9 22.210 22.548 44.289 1.00 0.00 H new ATOM 0 H8 DA C 9 19.018 21.353 46.012 1.00 0.00 H new ATOM 0 H61 DA C 9 16.240 25.740 42.743 1.00 0.00 H new ATOM 0 H62 DA C 9 16.086 24.219 43.628 1.00 0.00 H new ATOM 0 H2 DA C 9 20.709 26.393 42.239 1.00 0.00 H new ATOM 451 P DT C 10 25.190 21.850 46.910 1.00 0.00 P ATOM 452 OP1 DT C 10 26.550 21.700 46.350 1.00 0.00 O ATOM 453 OP2 DT C 10 25.010 21.450 48.320 1.00 0.00 O ATOM 454 O5' DT C 10 24.680 23.350 46.620 1.00 0.00 O ATOM 455 C5' DT C 10 25.190 24.110 45.510 1.00 0.00 C ATOM 456 C4' DT C 10 24.580 25.490 45.370 1.00 0.00 C ATOM 457 O4' DT C 10 23.150 25.400 45.280 1.00 0.00 O ATOM 458 C3' DT C 10 24.870 26.450 46.520 1.00 0.00 C ATOM 459 O3' DT C 10 25.520 27.610 45.970 1.00 0.00 O ATOM 460 C2' DT C 10 23.530 26.880 47.090 1.00 0.00 C ATOM 461 C1' DT C 10 22.700 26.620 45.860 1.00 0.00 C ATOM 462 N1 DT C 10 21.270 26.460 46.210 1.00 0.00 N ATOM 463 C2 DT C 10 20.320 27.320 45.650 1.00 0.00 C ATOM 464 O2 DT C 10 20.640 28.400 45.160 1.00 0.00 O ATOM 465 N3 DT C 10 18.970 27.060 45.840 1.00 0.00 N ATOM 466 C4 DT C 10 18.560 25.980 46.630 1.00 0.00 C ATOM 467 O4 DT C 10 17.350 25.790 46.710 1.00 0.00 O ATOM 468 C5 DT C 10 19.510 25.150 47.260 1.00 0.00 C ATOM 469 C7 DT C 10 19.150 24.250 48.440 1.00 0.00 C ATOM 470 C6 DT C 10 20.860 25.370 47.010 1.00 0.00 C ATOM 0 H5' DT C 10 25.014 23.552 44.590 1.00 0.00 H new ATOM 0 H5'' DT C 10 26.270 24.212 45.619 1.00 0.00 H new ATOM 0 H4' DT C 10 25.045 25.887 44.467 1.00 0.00 H new ATOM 0 H3' DT C 10 25.494 25.987 47.285 1.00 0.00 H new ATOM 0 H2' DT C 10 23.220 26.284 47.949 1.00 0.00 H new ATOM 0 H2'' DT C 10 23.514 27.924 47.404 1.00 0.00 H new ATOM 0 H1' DT C 10 22.805 27.461 45.175 1.00 0.00 H new ATOM 0 H3 DT C 10 18.272 27.660 45.401 1.00 0.00 H new ATOM 0 H71 DT C 10 18.340 24.704 49.010 1.00 0.00 H new ATOM 0 H72 DT C 10 18.832 23.275 48.070 1.00 0.00 H new ATOM 0 H73 DT C 10 20.021 24.127 49.083 1.00 0.00 H new ATOM 0 H6 DT C 10 21.599 24.704 47.430 1.00 0.00 H new ATOM 472 P DT C 11 26.140 28.760 46.900 1.00 0.00 P ATOM 473 OP1 DT C 11 27.220 29.420 46.130 1.00 0.00 O ATOM 474 OP2 DT C 11 26.450 28.240 48.250 1.00 0.00 O ATOM 475 O5' DT C 11 24.880 29.730 47.090 1.00 0.00 O ATOM 476 C5' DT C 11 24.470 30.660 46.070 1.00 0.00 C ATOM 477 C4' DT C 11 23.280 31.490 46.500 1.00 0.00 C ATOM 478 O4' DT C 11 22.080 30.720 46.640 1.00 0.00 O ATOM 479 C3' DT C 11 23.510 32.230 47.810 1.00 0.00 C ATOM 480 O3' DT C 11 24.130 33.520 47.640 1.00 0.00 O ATOM 481 C2' DT C 11 22.110 32.380 48.390 1.00 0.00 C ATOM 482 C1' DT C 11 21.240 31.500 47.500 1.00 0.00 C ATOM 483 N1 DT C 11 20.470 30.500 48.280 1.00 0.00 N ATOM 484 C2 DT C 11 19.070 30.510 48.180 1.00 0.00 C ATOM 485 O2 DT C 11 18.400 31.470 47.780 1.00 0.00 O ATOM 486 N3 DT C 11 18.360 29.420 48.660 1.00 0.00 N ATOM 487 C4 DT C 11 19.000 28.350 49.280 1.00 0.00 C ATOM 488 O4 DT C 11 18.300 27.370 49.530 1.00 0.00 O ATOM 489 C5 DT C 11 20.390 28.330 49.420 1.00 0.00 C ATOM 490 C7 DT C 11 21.140 27.220 50.160 1.00 0.00 C ATOM 491 C6 DT C 11 21.110 29.400 48.900 1.00 0.00 C ATOM 0 H5' DT C 11 24.220 30.113 45.161 1.00 0.00 H new ATOM 0 H5'' DT C 11 25.302 31.320 45.826 1.00 0.00 H new ATOM 0 H4' DT C 11 23.160 32.210 45.691 1.00 0.00 H new ATOM 0 H3' DT C 11 24.199 31.684 48.454 1.00 0.00 H new ATOM 0 H2' DT C 11 22.073 32.055 49.430 1.00 0.00 H new ATOM 0 H2'' DT C 11 21.779 33.418 48.369 1.00 0.00 H new ATOM 0 HO3' DT C 11 24.249 33.944 48.516 1.00 0.00 H new ATOM 0 H1' DT C 11 20.570 32.173 46.965 1.00 0.00 H new ATOM 0 H3 DT C 11 17.345 29.402 48.557 1.00 0.00 H new ATOM 0 H71 DT C 11 22.131 27.097 49.723 1.00 0.00 H new ATOM 0 H72 DT C 11 21.238 27.486 51.213 1.00 0.00 H new ATOM 0 H73 DT C 11 20.586 26.285 50.072 1.00 0.00 H new ATOM 0 H6 DT C 11 22.188 29.392 48.971 1.00 0.00 H new TER 494 DT C 11 ATOM 495 N MET A 1 34.170 31.500 11.380 1.00 0.00 N ATOM 496 CA MET A 1 33.550 30.380 10.640 1.00 0.00 C ATOM 497 C MET A 1 33.130 29.230 11.590 1.00 0.00 C ATOM 498 O MET A 1 33.730 28.160 11.640 1.00 0.00 O ATOM 499 CB MET A 1 34.600 29.880 9.650 1.00 0.00 C ATOM 500 CG MET A 1 34.840 30.790 8.450 1.00 0.00 C ATOM 501 SD MET A 1 33.500 30.720 7.210 1.00 0.00 S ATOM 502 CE MET A 1 33.700 29.030 6.670 1.00 0.00 C ATOM 0 H1 MET A 1 33.967 32.395 10.890 1.00 0.00 H new ATOM 0 H2 MET A 1 33.781 31.537 12.344 1.00 0.00 H new ATOM 0 H3 MET A 1 35.199 31.357 11.427 1.00 0.00 H new ATOM 0 HA MET A 1 32.645 30.718 10.136 1.00 0.00 H new ATOM 0 HB2 MET A 1 35.543 29.747 10.180 1.00 0.00 H new ATOM 0 HB3 MET A 1 34.297 28.898 9.287 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.950 31.817 8.798 1.00 0.00 H new ATOM 0 HG3 MET A 1 35.781 30.512 7.974 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.310 28.923 5.658 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.758 28.767 6.681 1.00 0.00 H new ATOM 0 HE3 MET A 1 33.155 28.367 7.341 1.00 0.00 H new ATOM 506 N LYS A 2 32.100 29.510 12.380 1.00 0.00 N ATOM 507 CA LYS A 2 31.700 28.620 13.480 1.00 0.00 C ATOM 508 C LYS A 2 30.170 28.440 13.530 1.00 0.00 C ATOM 509 O LYS A 2 29.450 29.430 13.670 1.00 0.00 O ATOM 510 CB LYS A 2 32.260 29.170 14.800 1.00 0.00 C ATOM 511 CG LYS A 2 33.170 28.150 15.500 1.00 0.00 C ATOM 512 CD LYS A 2 33.810 28.700 16.790 1.00 0.00 C ATOM 513 CE LYS A 2 32.830 28.960 17.940 1.00 0.00 C ATOM 514 NZ LYS A 2 33.470 29.840 18.940 1.00 0.00 N ATOM 0 H LYS A 2 31.522 30.345 12.285 1.00 0.00 H new ATOM 0 HA LYS A 2 32.117 27.627 13.311 1.00 0.00 H new ATOM 0 HB2 LYS A 2 32.821 30.084 14.605 1.00 0.00 H new ATOM 0 HB3 LYS A 2 31.436 29.437 15.462 1.00 0.00 H new ATOM 0 HG2 LYS A 2 32.590 27.259 15.740 1.00 0.00 H new ATOM 0 HG3 LYS A 2 33.958 27.842 14.813 1.00 0.00 H new ATOM 0 HD2 LYS A 2 34.568 27.995 17.131 1.00 0.00 H new ATOM 0 HD3 LYS A 2 34.325 29.631 16.554 1.00 0.00 H new ATOM 0 HE2 LYS A 2 31.920 29.425 17.559 1.00 0.00 H new ATOM 0 HE3 LYS A 2 32.537 28.018 18.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 32.807 30.018 19.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 34.326 29.380 19.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 33.728 30.743 18.493 1.00 0.00 H new ATOM 519 N PRO A 3 29.680 27.230 13.210 1.00 0.00 N ATOM 520 CA PRO A 3 28.260 26.870 13.400 1.00 0.00 C ATOM 521 C PRO A 3 27.770 27.260 14.800 1.00 0.00 C ATOM 522 O PRO A 3 28.400 26.930 15.810 1.00 0.00 O ATOM 523 CB PRO A 3 28.220 25.370 13.150 1.00 0.00 C ATOM 524 CG PRO A 3 29.320 25.130 12.130 1.00 0.00 C ATOM 525 CD PRO A 3 30.380 26.180 12.450 1.00 0.00 C ATOM 0 HA PRO A 3 27.590 27.402 12.725 1.00 0.00 H new ATOM 0 HB2 PRO A 3 28.399 24.809 14.067 1.00 0.00 H new ATOM 0 HB3 PRO A 3 27.248 25.056 12.769 1.00 0.00 H new ATOM 0 HG2 PRO A 3 29.724 24.121 12.213 1.00 0.00 H new ATOM 0 HG3 PRO A 3 28.947 25.241 11.112 1.00 0.00 H new ATOM 0 HD2 PRO A 3 31.194 25.750 13.034 1.00 0.00 H new ATOM 0 HD3 PRO A 3 30.820 26.583 11.538 1.00 0.00 H new ATOM 526 N VAL A 4 26.860 28.230 14.770 1.00 0.00 N ATOM 527 CA VAL A 4 26.260 28.810 15.990 1.00 0.00 C ATOM 528 C VAL A 4 25.230 27.860 16.620 1.00 0.00 C ATOM 529 O VAL A 4 24.160 27.610 16.070 1.00 0.00 O ATOM 530 CB VAL A 4 25.690 30.230 15.750 1.00 0.00 C ATOM 531 CG1 VAL A 4 25.380 30.890 17.100 1.00 0.00 C ATOM 532 CG2 VAL A 4 26.670 31.160 15.030 1.00 0.00 C ATOM 0 H VAL A 4 26.511 28.643 13.905 1.00 0.00 H new ATOM 0 HA VAL A 4 27.065 28.930 16.715 1.00 0.00 H new ATOM 0 HB VAL A 4 24.804 30.097 15.129 1.00 0.00 H new ATOM 0 HG11 VAL A 4 24.979 31.890 16.933 1.00 0.00 H new ATOM 0 HG12 VAL A 4 24.646 30.290 17.638 1.00 0.00 H new ATOM 0 HG13 VAL A 4 26.294 30.960 17.689 1.00 0.00 H new ATOM 0 HG21 VAL A 4 26.209 32.138 14.893 1.00 0.00 H new ATOM 0 HG22 VAL A 4 27.576 31.266 15.627 1.00 0.00 H new ATOM 0 HG23 VAL A 4 26.923 30.739 14.057 1.00 0.00 H new ATOM 534 N THR A 5 25.730 27.220 17.680 1.00 0.00 N ATOM 535 CA THR A 5 24.990 26.290 18.580 1.00 0.00 C ATOM 536 C THR A 5 24.260 27.050 19.700 1.00 0.00 C ATOM 537 O THR A 5 24.670 28.170 20.030 1.00 0.00 O ATOM 538 CB THR A 5 25.930 25.300 19.300 1.00 0.00 C ATOM 539 OG1 THR A 5 26.930 25.980 20.060 1.00 0.00 O ATOM 540 CG2 THR A 5 26.530 24.250 18.360 1.00 0.00 C ATOM 0 H THR A 5 26.705 27.331 17.959 1.00 0.00 H new ATOM 0 HA THR A 5 24.294 25.764 17.927 1.00 0.00 H new ATOM 0 HB THR A 5 25.310 24.745 20.004 1.00 0.00 H new ATOM 0 HG1 THR A 5 27.644 26.285 19.462 1.00 0.00 H new ATOM 0 HG21 THR A 5 27.181 23.584 18.926 1.00 0.00 H new ATOM 0 HG22 THR A 5 25.728 23.670 17.903 1.00 0.00 H new ATOM 0 HG23 THR A 5 27.108 24.747 17.581 1.00 0.00 H new ATOM 543 N LEU A 6 23.390 26.360 20.450 1.00 0.00 N ATOM 544 CA LEU A 6 22.740 26.930 21.650 1.00 0.00 C ATOM 545 C LEU A 6 23.770 27.430 22.680 1.00 0.00 C ATOM 546 O LEU A 6 23.640 28.530 23.220 1.00 0.00 O ATOM 547 CB LEU A 6 21.780 25.930 22.310 1.00 0.00 C ATOM 548 CG LEU A 6 20.400 25.890 21.640 1.00 0.00 C ATOM 549 CD1 LEU A 6 19.520 24.900 22.380 1.00 0.00 C ATOM 550 CD2 LEU A 6 19.700 27.250 21.660 1.00 0.00 C ATOM 0 H LEU A 6 23.115 25.399 20.249 1.00 0.00 H new ATOM 0 HA LEU A 6 22.160 27.786 21.305 1.00 0.00 H new ATOM 0 HB2 LEU A 6 22.223 24.934 22.277 1.00 0.00 H new ATOM 0 HB3 LEU A 6 21.660 26.191 23.362 1.00 0.00 H new ATOM 0 HG LEU A 6 20.553 25.599 20.601 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.537 24.865 21.910 1.00 0.00 H new ATOM 0 HD12 LEU A 6 19.975 23.910 22.343 1.00 0.00 H new ATOM 0 HD13 LEU A 6 19.415 25.212 23.419 1.00 0.00 H new ATOM 0 HD21 LEU A 6 18.728 27.166 21.174 1.00 0.00 H new ATOM 0 HD22 LEU A 6 19.563 27.573 22.692 1.00 0.00 H new ATOM 0 HD23 LEU A 6 20.310 27.981 21.129 1.00 0.00 H new ATOM 552 N TYR A 7 24.830 26.650 22.840 1.00 0.00 N ATOM 553 CA TYR A 7 26.040 27.020 23.600 1.00 0.00 C ATOM 554 C TYR A 7 26.670 28.370 23.220 1.00 0.00 C ATOM 555 O TYR A 7 26.960 29.160 24.110 1.00 0.00 O ATOM 556 CB TYR A 7 27.150 25.990 23.420 1.00 0.00 C ATOM 557 CG TYR A 7 26.810 24.620 23.980 1.00 0.00 C ATOM 558 CD1 TYR A 7 26.860 24.460 25.380 1.00 0.00 C ATOM 559 CD2 TYR A 7 26.780 23.530 23.090 1.00 0.00 C ATOM 560 CE1 TYR A 7 26.930 23.160 25.910 1.00 0.00 C ATOM 561 CE2 TYR A 7 26.840 22.230 23.620 1.00 0.00 C ATOM 562 CZ TYR A 7 26.930 22.070 25.010 1.00 0.00 C ATOM 563 OH TYR A 7 27.110 20.820 25.510 1.00 0.00 O ATOM 0 H TYR A 7 24.884 25.714 22.438 1.00 0.00 H new ATOM 0 HA TYR A 7 25.670 27.076 24.624 1.00 0.00 H new ATOM 0 HB2 TYR A 7 27.374 25.893 22.358 1.00 0.00 H new ATOM 0 HB3 TYR A 7 28.055 26.356 23.905 1.00 0.00 H new ATOM 0 HD1 TYR A 7 26.845 25.320 26.033 1.00 0.00 H new ATOM 0 HD2 TYR A 7 26.712 23.689 22.024 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.982 22.998 26.977 1.00 0.00 H new ATOM 0 HE2 TYR A 7 26.817 21.369 22.968 1.00 0.00 H new ATOM 0 HH TYR A 7 26.982 20.835 26.481 1.00 0.00 H new ATOM 566 N ASP A 8 26.910 28.580 21.930 1.00 0.00 N ATOM 567 CA ASP A 8 27.590 29.780 21.400 1.00 0.00 C ATOM 568 C ASP A 8 26.820 31.050 21.790 1.00 0.00 C ATOM 569 O ASP A 8 27.310 31.820 22.620 1.00 0.00 O ATOM 570 CB ASP A 8 27.800 29.640 19.880 1.00 0.00 C ATOM 571 CG ASP A 8 28.730 28.480 19.480 1.00 0.00 C ATOM 572 OD1 ASP A 8 29.860 28.390 19.990 1.00 0.00 O ATOM 573 OD2 ASP A 8 28.330 27.680 18.620 1.00 0.00 O ATOM 0 H ASP A 8 26.638 27.918 21.204 1.00 0.00 H new ATOM 0 HA ASP A 8 28.579 29.871 21.848 1.00 0.00 H new ATOM 0 HB2 ASP A 8 26.831 29.497 19.402 1.00 0.00 H new ATOM 0 HB3 ASP A 8 28.212 30.572 19.493 1.00 0.00 H new ATOM 575 N VAL A 9 25.530 31.060 21.480 1.00 0.00 N ATOM 576 CA VAL A 9 24.590 32.150 21.880 1.00 0.00 C ATOM 577 C VAL A 9 24.400 32.310 23.400 1.00 0.00 C ATOM 578 O VAL A 9 24.280 33.420 23.910 1.00 0.00 O ATOM 579 CB VAL A 9 23.230 32.110 21.150 1.00 0.00 C ATOM 580 CG1 VAL A 9 23.330 32.920 19.870 1.00 0.00 C ATOM 581 CG2 VAL A 9 22.640 30.710 20.900 1.00 0.00 C ATOM 0 H VAL A 9 25.084 30.317 20.942 1.00 0.00 H new ATOM 0 HA VAL A 9 25.107 33.048 21.541 1.00 0.00 H new ATOM 0 HB VAL A 9 22.508 32.558 21.833 1.00 0.00 H new ATOM 0 HG11 VAL A 9 22.373 32.896 19.349 1.00 0.00 H new ATOM 0 HG12 VAL A 9 23.586 33.952 20.111 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.103 32.494 19.230 1.00 0.00 H new ATOM 0 HG21 VAL A 9 21.686 30.805 20.382 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.329 30.129 20.288 1.00 0.00 H new ATOM 0 HG23 VAL A 9 22.487 30.204 21.853 1.00 0.00 H new ATOM 583 N ALA A 10 24.390 31.170 24.090 1.00 0.00 N ATOM 584 CA ALA A 10 24.450 31.120 25.560 1.00 0.00 C ATOM 585 C ALA A 10 25.710 31.810 26.130 1.00 0.00 C ATOM 586 O ALA A 10 25.610 32.890 26.720 1.00 0.00 O ATOM 587 CB ALA A 10 24.360 29.650 25.970 1.00 0.00 C ATOM 0 H ALA A 10 24.340 30.251 23.650 1.00 0.00 H new ATOM 0 HA ALA A 10 23.616 31.681 25.981 1.00 0.00 H new ATOM 0 HB1 ALA A 10 24.401 29.572 27.056 1.00 0.00 H new ATOM 0 HB2 ALA A 10 23.421 29.229 25.612 1.00 0.00 H new ATOM 0 HB3 ALA A 10 25.194 29.099 25.535 1.00 0.00 H new ATOM 589 N GLU A 11 26.890 31.250 25.850 1.00 0.00 N ATOM 590 CA GLU A 11 28.230 31.820 26.120 1.00 0.00 C ATOM 591 C GLU A 11 28.300 33.360 25.970 1.00 0.00 C ATOM 592 O GLU A 11 28.470 34.040 26.980 1.00 0.00 O ATOM 593 CB GLU A 11 29.260 31.180 25.180 1.00 0.00 C ATOM 594 CG GLU A 11 30.120 30.090 25.820 1.00 0.00 C ATOM 595 CD GLU A 11 31.300 29.720 24.910 1.00 0.00 C ATOM 596 OE1 GLU A 11 31.070 29.060 23.880 1.00 0.00 O ATOM 597 OE2 GLU A 11 32.440 30.130 25.220 1.00 0.00 O ATOM 0 H GLU A 11 26.949 30.335 25.403 1.00 0.00 H new ATOM 0 HA GLU A 11 28.450 31.595 27.164 1.00 0.00 H new ATOM 0 HB2 GLU A 11 28.735 30.754 24.325 1.00 0.00 H new ATOM 0 HB3 GLU A 11 29.915 31.961 24.795 1.00 0.00 H new ATOM 0 HG2 GLU A 11 30.493 30.435 26.784 1.00 0.00 H new ATOM 0 HG3 GLU A 11 29.511 29.206 26.011 1.00 0.00 H new ATOM 599 N TYR A 12 27.950 33.850 24.780 1.00 0.00 N ATOM 600 CA TYR A 12 28.020 35.270 24.390 1.00 0.00 C ATOM 601 C TYR A 12 27.170 36.210 25.230 1.00 0.00 C ATOM 602 O TYR A 12 27.600 37.300 25.610 1.00 0.00 O ATOM 603 CB TYR A 12 27.560 35.390 22.940 1.00 0.00 C ATOM 604 CG TYR A 12 27.920 36.750 22.360 1.00 0.00 C ATOM 605 CD1 TYR A 12 29.250 36.890 21.940 1.00 0.00 C ATOM 606 CD2 TYR A 12 26.920 37.660 21.950 1.00 0.00 C ATOM 607 CE1 TYR A 12 29.600 37.880 21.020 1.00 0.00 C ATOM 608 CE2 TYR A 12 27.260 38.670 21.030 1.00 0.00 C ATOM 609 CZ TYR A 12 28.590 38.750 20.570 1.00 0.00 C ATOM 610 OH TYR A 12 28.950 39.760 19.750 1.00 0.00 O ATOM 0 H TYR A 12 27.597 33.254 24.031 1.00 0.00 H new ATOM 0 HA TYR A 12 29.056 35.574 24.542 1.00 0.00 H new ATOM 0 HB2 TYR A 12 28.021 34.603 22.343 1.00 0.00 H new ATOM 0 HB3 TYR A 12 26.482 35.242 22.884 1.00 0.00 H new ATOM 0 HD1 TYR A 12 30.009 36.228 22.331 1.00 0.00 H new ATOM 0 HD2 TYR A 12 25.914 37.582 22.335 1.00 0.00 H new ATOM 0 HE1 TYR A 12 30.615 37.975 20.664 1.00 0.00 H new ATOM 0 HE2 TYR A 12 26.515 39.371 20.683 1.00 0.00 H new ATOM 0 HH TYR A 12 28.158 40.286 19.512 1.00 0.00 H new ATOM 613 N ALA A 13 25.920 35.810 25.400 1.00 0.00 N ATOM 614 CA ALA A 13 24.980 36.610 26.210 1.00 0.00 C ATOM 615 C ALA A 13 25.210 36.430 27.720 1.00 0.00 C ATOM 616 O ALA A 13 24.610 37.140 28.540 1.00 0.00 O ATOM 617 CB ALA A 13 23.550 36.280 25.820 1.00 0.00 C ATOM 0 H ALA A 13 25.527 34.957 25.003 1.00 0.00 H new ATOM 0 HA ALA A 13 25.167 37.663 25.998 1.00 0.00 H new ATOM 0 HB1 ALA A 13 22.862 36.874 26.422 1.00 0.00 H new ATOM 0 HB2 ALA A 13 23.399 36.508 24.765 1.00 0.00 H new ATOM 0 HB3 ALA A 13 23.361 35.221 25.993 1.00 0.00 H new ATOM 619 N GLY A 14 26.110 35.510 28.060 1.00 0.00 N ATOM 620 CA GLY A 14 26.550 35.210 29.430 1.00 0.00 C ATOM 621 C GLY A 14 25.400 34.630 30.260 1.00 0.00 C ATOM 622 O GLY A 14 25.090 35.130 31.340 1.00 0.00 O ATOM 0 H GLY A 14 26.574 34.927 27.364 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.378 34.501 29.403 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.923 36.118 29.903 1.00 0.00 H new ATOM 624 N VAL A 15 24.770 33.630 29.640 1.00 0.00 N ATOM 625 CA VAL A 15 23.490 33.010 30.070 1.00 0.00 C ATOM 626 C VAL A 15 23.530 31.510 29.720 1.00 0.00 C ATOM 627 O VAL A 15 24.340 31.050 28.910 1.00 0.00 O ATOM 628 CB VAL A 15 22.260 33.760 29.560 1.00 0.00 C ATOM 629 CG1 VAL A 15 22.030 35.050 30.350 1.00 0.00 C ATOM 630 CG2 VAL A 15 22.280 34.000 28.060 1.00 0.00 C ATOM 0 H VAL A 15 25.142 33.205 28.791 1.00 0.00 H new ATOM 0 HA VAL A 15 23.385 33.093 31.152 1.00 0.00 H new ATOM 0 HB VAL A 15 21.405 33.107 29.736 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.148 35.561 29.964 1.00 0.00 H new ATOM 0 HG12 VAL A 15 21.878 34.810 31.402 1.00 0.00 H new ATOM 0 HG13 VAL A 15 22.899 35.699 30.248 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.378 34.537 27.765 1.00 0.00 H new ATOM 0 HG22 VAL A 15 23.157 34.592 27.798 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.320 33.043 27.539 1.00 0.00 H new ATOM 632 N SER A 16 22.760 30.760 30.490 1.00 0.00 N ATOM 633 CA SER A 16 22.730 29.300 30.460 1.00 0.00 C ATOM 634 C SER A 16 22.080 28.750 29.200 1.00 0.00 C ATOM 635 O SER A 16 21.190 29.340 28.600 1.00 0.00 O ATOM 636 CB SER A 16 21.960 28.770 31.650 1.00 0.00 C ATOM 637 OG SER A 16 21.790 27.350 31.580 1.00 0.00 O ATOM 0 H SER A 16 22.118 31.158 31.175 1.00 0.00 H new ATOM 0 HA SER A 16 23.770 28.973 30.485 1.00 0.00 H new ATOM 0 HB2 SER A 16 22.486 29.029 32.569 1.00 0.00 H new ATOM 0 HB3 SER A 16 20.983 29.252 31.696 1.00 0.00 H new ATOM 0 HG SER A 16 22.542 26.908 32.026 1.00 0.00 H new ATOM 640 N TYR A 17 22.750 27.700 28.750 1.00 0.00 N ATOM 641 CA TYR A 17 22.240 26.640 27.870 1.00 0.00 C ATOM 642 C TYR A 17 20.720 26.480 27.900 1.00 0.00 C ATOM 643 O TYR A 17 20.080 26.610 26.850 1.00 0.00 O ATOM 644 CB TYR A 17 22.960 25.390 28.370 1.00 0.00 C ATOM 645 CG TYR A 17 22.900 24.220 27.400 1.00 0.00 C ATOM 646 CD1 TYR A 17 23.100 24.430 26.020 1.00 0.00 C ATOM 647 CD2 TYR A 17 22.890 22.940 27.980 1.00 0.00 C ATOM 648 CE1 TYR A 17 23.340 23.320 25.190 1.00 0.00 C ATOM 649 CE2 TYR A 17 23.140 21.830 27.170 1.00 0.00 C ATOM 650 CZ TYR A 17 23.380 22.040 25.790 1.00 0.00 C ATOM 651 OH TYR A 17 23.940 21.010 25.110 1.00 0.00 O ATOM 0 H TYR A 17 23.727 27.549 29.001 1.00 0.00 H new ATOM 0 HA TYR A 17 22.435 26.864 26.821 1.00 0.00 H new ATOM 0 HB2 TYR A 17 24.004 25.636 28.564 1.00 0.00 H new ATOM 0 HB3 TYR A 17 22.522 25.085 29.321 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.069 25.427 25.607 1.00 0.00 H new ATOM 0 HD2 TYR A 17 22.692 22.817 29.035 1.00 0.00 H new ATOM 0 HE1 TYR A 17 23.489 23.442 24.127 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.150 20.834 27.587 1.00 0.00 H new ATOM 0 HH TYR A 17 24.889 21.199 24.952 1.00 0.00 H new ATOM 654 N GLN A 18 20.190 26.370 29.120 1.00 0.00 N ATOM 655 CA GLN A 18 18.760 26.290 29.480 1.00 0.00 C ATOM 656 C GLN A 18 17.950 27.600 29.390 1.00 0.00 C ATOM 657 O GLN A 18 16.940 27.590 28.700 1.00 0.00 O ATOM 658 CB GLN A 18 18.740 25.660 30.870 1.00 0.00 C ATOM 659 CG GLN A 18 18.020 24.300 30.910 1.00 0.00 C ATOM 660 CD GLN A 18 18.360 23.320 29.780 1.00 0.00 C ATOM 661 OE1 GLN A 18 17.640 23.250 28.790 1.00 0.00 O ATOM 662 NE2 GLN A 18 19.180 22.320 30.020 1.00 0.00 N ATOM 0 H GLN A 18 20.786 26.331 29.947 1.00 0.00 H new ATOM 0 HA GLN A 18 18.234 25.691 28.736 1.00 0.00 H new ATOM 0 HB2 GLN A 18 19.765 25.531 31.218 1.00 0.00 H new ATOM 0 HB3 GLN A 18 18.251 26.343 31.564 1.00 0.00 H new ATOM 0 HG2 GLN A 18 18.249 23.819 31.861 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.945 24.481 30.895 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.792 22.347 30.835 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.204 21.518 29.391 1.00 0.00 H new ATOM 666 N THR A 19 18.500 28.720 29.860 1.00 0.00 N ATOM 667 CA THR A 19 17.900 30.070 29.700 1.00 0.00 C ATOM 668 C THR A 19 17.700 30.380 28.200 1.00 0.00 C ATOM 669 O THR A 19 16.590 30.710 27.800 1.00 0.00 O ATOM 670 CB THR A 19 18.800 31.150 30.340 1.00 0.00 C ATOM 671 OG1 THR A 19 19.260 30.630 31.590 1.00 0.00 O ATOM 672 CG2 THR A 19 18.070 32.470 30.580 1.00 0.00 C ATOM 0 H THR A 19 19.384 28.729 30.370 1.00 0.00 H new ATOM 0 HA THR A 19 16.935 30.080 30.206 1.00 0.00 H new ATOM 0 HB THR A 19 19.619 31.370 29.656 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.500 30.526 32.201 1.00 0.00 H new ATOM 0 HG21 THR A 19 18.755 33.188 31.031 1.00 0.00 H new ATOM 0 HG22 THR A 19 17.707 32.863 29.630 1.00 0.00 H new ATOM 0 HG23 THR A 19 17.227 32.303 31.250 1.00 0.00 H new ATOM 675 N VAL A 20 18.660 29.880 27.410 1.00 0.00 N ATOM 676 CA VAL A 20 18.710 30.020 25.940 1.00 0.00 C ATOM 677 C VAL A 20 17.840 28.950 25.230 1.00 0.00 C ATOM 678 O VAL A 20 16.990 29.300 24.430 1.00 0.00 O ATOM 679 CB VAL A 20 20.180 30.140 25.510 1.00 0.00 C ATOM 680 CG1 VAL A 20 20.450 30.090 24.000 1.00 0.00 C ATOM 681 CG2 VAL A 20 20.700 31.490 26.000 1.00 0.00 C ATOM 0 H VAL A 20 19.448 29.351 27.783 1.00 0.00 H new ATOM 0 HA VAL A 20 18.237 30.943 25.604 1.00 0.00 H new ATOM 0 HB VAL A 20 20.676 29.270 25.941 1.00 0.00 H new ATOM 0 HG11 VAL A 20 21.521 30.184 23.819 1.00 0.00 H new ATOM 0 HG12 VAL A 20 20.096 29.141 23.598 1.00 0.00 H new ATOM 0 HG13 VAL A 20 19.925 30.910 23.509 1.00 0.00 H new ATOM 0 HG21 VAL A 20 21.744 31.605 25.709 1.00 0.00 H new ATOM 0 HG22 VAL A 20 20.109 32.291 25.555 1.00 0.00 H new ATOM 0 HG23 VAL A 20 20.618 31.539 27.086 1.00 0.00 H new ATOM 683 N SER A 21 17.910 27.690 25.670 1.00 0.00 N ATOM 684 CA SER A 21 16.900 26.650 25.330 1.00 0.00 C ATOM 685 C SER A 21 15.430 27.040 25.610 1.00 0.00 C ATOM 686 O SER A 21 14.580 26.780 24.770 1.00 0.00 O ATOM 687 CB SER A 21 17.260 25.350 26.060 1.00 0.00 C ATOM 688 OG SER A 21 16.270 24.350 25.790 1.00 0.00 O ATOM 0 H SER A 21 18.661 27.350 26.271 1.00 0.00 H new ATOM 0 HA SER A 21 16.946 26.524 24.248 1.00 0.00 H new ATOM 0 HB2 SER A 21 18.240 25.000 25.737 1.00 0.00 H new ATOM 0 HB3 SER A 21 17.324 25.531 27.133 1.00 0.00 H new ATOM 0 HG SER A 21 16.283 24.126 24.836 1.00 0.00 H new ATOM 691 N ARG A 22 15.140 27.790 26.670 1.00 0.00 N ATOM 692 CA ARG A 22 13.760 28.280 26.950 1.00 0.00 C ATOM 693 C ARG A 22 13.280 29.270 25.890 1.00 0.00 C ATOM 694 O ARG A 22 12.190 29.150 25.320 1.00 0.00 O ATOM 695 CB ARG A 22 13.710 28.980 28.320 1.00 0.00 C ATOM 696 CG ARG A 22 14.140 28.210 29.570 1.00 0.00 C ATOM 697 CD ARG A 22 13.130 27.220 30.150 1.00 0.00 C ATOM 698 NE ARG A 22 12.970 26.100 29.230 1.00 0.00 N ATOM 699 CZ ARG A 22 13.820 25.100 29.000 1.00 0.00 C ATOM 700 NH1 ARG A 22 15.030 25.000 29.570 1.00 0.00 N ATOM 701 NH2 ARG A 22 13.470 24.230 28.070 1.00 0.00 N ATOM 0 H ARG A 22 15.832 28.081 27.360 1.00 0.00 H new ATOM 0 HA ARG A 22 13.107 27.407 26.941 1.00 0.00 H new ATOM 0 HB2 ARG A 22 14.332 29.873 28.255 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.685 29.317 28.479 1.00 0.00 H new ATOM 0 HG2 ARG A 22 15.054 27.665 29.336 1.00 0.00 H new ATOM 0 HG3 ARG A 22 14.390 28.934 30.346 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.471 26.862 31.121 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.171 27.713 30.311 1.00 0.00 H new ATOM 0 HE ARG A 22 12.101 26.080 28.697 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.347 25.717 30.223 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.633 24.207 29.351 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.588 24.344 27.571 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.082 23.444 27.851 1.00 0.00 H new ATOM 708 N VAL A 23 14.190 30.180 25.560 1.00 0.00 N ATOM 709 CA VAL A 23 14.050 31.110 24.410 1.00 0.00 C ATOM 710 C VAL A 23 13.650 30.360 23.110 1.00 0.00 C ATOM 711 O VAL A 23 12.830 30.840 22.320 1.00 0.00 O ATOM 712 CB VAL A 23 15.360 31.920 24.320 1.00 0.00 C ATOM 713 CG1 VAL A 23 15.530 32.640 22.980 1.00 0.00 C ATOM 714 CG2 VAL A 23 15.490 32.890 25.490 1.00 0.00 C ATOM 0 H VAL A 23 15.059 30.306 26.079 1.00 0.00 H new ATOM 0 HA VAL A 23 13.227 31.810 24.555 1.00 0.00 H new ATOM 0 HB VAL A 23 16.173 31.196 24.382 1.00 0.00 H new ATOM 0 HG11 VAL A 23 16.470 33.191 22.980 1.00 0.00 H new ATOM 0 HG12 VAL A 23 15.539 31.908 22.172 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.702 33.334 22.832 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.423 33.447 25.399 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.650 33.585 25.481 1.00 0.00 H new ATOM 0 HG23 VAL A 23 15.490 32.332 26.427 1.00 0.00 H new ATOM 716 N VAL A 24 14.140 29.130 22.970 1.00 0.00 N ATOM 717 CA VAL A 24 13.780 28.270 21.830 1.00 0.00 C ATOM 718 C VAL A 24 12.460 27.510 22.080 1.00 0.00 C ATOM 719 O VAL A 24 11.530 27.630 21.270 1.00 0.00 O ATOM 720 CB VAL A 24 15.000 27.400 21.460 1.00 0.00 C ATOM 721 CG1 VAL A 24 14.700 26.430 20.320 1.00 0.00 C ATOM 722 CG2 VAL A 24 16.180 28.290 21.030 1.00 0.00 C ATOM 0 H VAL A 24 14.789 28.700 23.629 1.00 0.00 H new ATOM 0 HA VAL A 24 13.552 28.868 20.948 1.00 0.00 H new ATOM 0 HB VAL A 24 15.250 26.826 22.352 1.00 0.00 H new ATOM 0 HG11 VAL A 24 15.591 25.842 20.099 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.889 25.764 20.613 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.406 26.991 19.433 1.00 0.00 H new ATOM 0 HG21 VAL A 24 17.033 27.663 20.772 1.00 0.00 H new ATOM 0 HG22 VAL A 24 15.891 28.884 20.163 1.00 0.00 H new ATOM 0 HG23 VAL A 24 16.453 28.954 21.850 1.00 0.00 H new ATOM 724 N ASN A 25 12.320 26.870 23.240 1.00 0.00 N ATOM 725 CA ASN A 25 11.140 26.090 23.630 1.00 0.00 C ATOM 726 C ASN A 25 10.990 25.860 25.140 1.00 0.00 C ATOM 727 O ASN A 25 11.960 25.840 25.900 1.00 0.00 O ATOM 728 CB ASN A 25 11.220 24.700 22.980 1.00 0.00 C ATOM 729 CG ASN A 25 10.670 24.730 21.550 1.00 0.00 C ATOM 730 OD1 ASN A 25 9.520 25.050 21.270 1.00 0.00 O ATOM 731 ND2 ASN A 25 11.520 24.370 20.630 1.00 0.00 N ATOM 0 H ASN A 25 13.045 26.878 23.958 1.00 0.00 H new ATOM 0 HA ASN A 25 10.285 26.679 23.298 1.00 0.00 H new ATOM 0 HB2 ASN A 25 12.255 24.359 22.968 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.655 23.983 23.576 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.234 24.350 19.651 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.471 24.108 20.889 1.00 0.00 H new ATOM 735 N GLN A 26 9.720 25.700 25.530 1.00 0.00 N ATOM 736 CA GLN A 26 9.280 25.380 26.910 1.00 0.00 C ATOM 737 C GLN A 26 9.680 26.530 27.860 1.00 0.00 C ATOM 738 O GLN A 26 10.110 26.330 28.990 1.00 0.00 O ATOM 739 CB GLN A 26 9.880 24.020 27.280 1.00 0.00 C ATOM 740 CG GLN A 26 9.290 23.300 28.490 1.00 0.00 C ATOM 741 CD GLN A 26 10.290 22.230 28.930 1.00 0.00 C ATOM 742 OE1 GLN A 26 11.200 22.450 29.720 1.00 0.00 O ATOM 743 NE2 GLN A 26 10.440 21.200 28.140 1.00 0.00 N ATOM 0 H GLN A 26 8.939 25.791 24.880 1.00 0.00 H new ATOM 0 HA GLN A 26 8.196 25.297 26.994 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.783 23.362 26.416 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.947 24.159 27.457 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.103 24.005 29.300 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.332 22.846 28.235 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.715 20.968 27.461 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.282 20.628 28.202 1.00 0.00 H new ATOM 747 N ALA A 27 9.530 27.760 27.360 1.00 0.00 N ATOM 748 CA ALA A 27 9.930 28.980 28.090 1.00 0.00 C ATOM 749 C ALA A 27 9.310 29.130 29.490 1.00 0.00 C ATOM 750 O ALA A 27 8.110 28.910 29.670 1.00 0.00 O ATOM 751 CB ALA A 27 9.720 30.200 27.180 1.00 0.00 C ATOM 0 H ALA A 27 9.129 27.944 26.440 1.00 0.00 H new ATOM 0 HA ALA A 27 10.992 28.894 28.321 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.013 31.105 27.712 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.329 30.093 26.282 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.669 30.268 26.900 1.00 0.00 H new ATOM 753 N SER A 28 10.170 29.410 30.460 1.00 0.00 N ATOM 754 CA SER A 28 9.900 29.590 31.910 1.00 0.00 C ATOM 755 C SER A 28 11.170 30.070 32.620 1.00 0.00 C ATOM 756 O SER A 28 12.290 29.670 32.280 1.00 0.00 O ATOM 757 CB SER A 28 9.470 28.290 32.590 1.00 0.00 C ATOM 758 OG SER A 28 10.510 27.320 32.430 1.00 0.00 O ATOM 0 H SER A 28 11.161 29.530 30.252 1.00 0.00 H new ATOM 0 HA SER A 28 9.093 30.319 31.985 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.276 28.464 33.648 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.542 27.924 32.152 1.00 0.00 H new ATOM 0 HG SER A 28 10.722 26.921 33.300 1.00 0.00 H new ATOM 761 N HIS A 29 10.980 30.870 33.660 1.00 0.00 N ATOM 762 CA HIS A 29 12.070 31.430 34.500 1.00 0.00 C ATOM 763 C HIS A 29 13.080 32.300 33.730 1.00 0.00 C ATOM 764 O HIS A 29 14.280 32.050 33.700 1.00 0.00 O ATOM 765 CB HIS A 29 12.770 30.340 35.330 1.00 0.00 C ATOM 766 CG HIS A 29 11.980 30.000 36.590 1.00 0.00 C ATOM 767 ND1 HIS A 29 11.850 30.810 37.640 1.00 0.00 N ATOM 768 CD2 HIS A 29 11.310 28.870 36.820 1.00 0.00 C ATOM 769 CE1 HIS A 29 11.130 30.130 38.540 1.00 0.00 C ATOM 770 NE2 HIS A 29 10.770 28.950 38.030 1.00 0.00 N ATOM 0 H HIS A 29 10.051 31.163 33.963 1.00 0.00 H new ATOM 0 HA HIS A 29 11.575 32.113 35.190 1.00 0.00 H new ATOM 0 HB2 HIS A 29 12.893 29.443 34.724 1.00 0.00 H new ATOM 0 HB3 HIS A 29 13.769 30.677 35.606 1.00 0.00 H new ATOM 0 HD1 HIS A 29 12.223 31.754 37.738 1.00 0.00 H new ATOM 0 HD2 HIS A 29 11.222 28.035 36.140 1.00 0.00 H new ATOM 0 HE1 HIS A 29 10.878 30.483 39.529 1.00 0.00 H new ATOM 774 N VAL A 30 12.570 33.470 33.380 1.00 0.00 N ATOM 775 CA VAL A 30 13.260 34.430 32.500 1.00 0.00 C ATOM 776 C VAL A 30 12.940 35.880 32.880 1.00 0.00 C ATOM 777 O VAL A 30 11.800 36.340 32.910 1.00 0.00 O ATOM 778 CB VAL A 30 12.980 34.060 31.020 1.00 0.00 C ATOM 779 CG1 VAL A 30 11.540 34.300 30.560 1.00 0.00 C ATOM 780 CG2 VAL A 30 13.990 34.790 30.130 1.00 0.00 C ATOM 0 H VAL A 30 11.656 33.794 33.697 1.00 0.00 H new ATOM 0 HA VAL A 30 14.339 34.359 32.637 1.00 0.00 H new ATOM 0 HB VAL A 30 13.105 32.981 30.930 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.440 34.013 29.513 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.860 33.703 31.167 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.294 35.356 30.672 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.804 34.538 29.086 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.885 35.866 30.268 1.00 0.00 H new ATOM 0 HG23 VAL A 30 15.001 34.486 30.402 1.00 0.00 H new ATOM 782 N SER A 31 14.040 36.510 33.260 1.00 0.00 N ATOM 783 CA SER A 31 14.110 37.930 33.670 1.00 0.00 C ATOM 784 C SER A 31 14.310 38.840 32.450 1.00 0.00 C ATOM 785 O SER A 31 14.840 38.440 31.420 1.00 0.00 O ATOM 786 CB SER A 31 15.280 38.160 34.630 1.00 0.00 C ATOM 787 OG SER A 31 14.980 37.670 35.940 1.00 0.00 O ATOM 0 H SER A 31 14.946 36.044 33.298 1.00 0.00 H new ATOM 0 HA SER A 31 13.169 38.171 34.164 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.171 37.661 34.248 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.508 39.225 34.681 1.00 0.00 H new ATOM 0 HG SER A 31 15.012 36.691 35.938 1.00 0.00 H new ATOM 790 N ALA A 32 13.900 40.080 32.640 1.00 0.00 N ATOM 791 CA ALA A 32 13.980 41.150 31.620 1.00 0.00 C ATOM 792 C ALA A 32 15.360 41.330 30.990 1.00 0.00 C ATOM 793 O ALA A 32 15.500 41.110 29.790 1.00 0.00 O ATOM 794 CB ALA A 32 13.430 42.460 32.180 1.00 0.00 C ATOM 0 H ALA A 32 13.491 40.395 33.520 1.00 0.00 H new ATOM 0 HA ALA A 32 13.350 40.824 30.792 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.496 43.237 31.419 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.388 42.323 32.470 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.013 42.756 33.052 1.00 0.00 H new ATOM 796 N LYS A 33 16.360 41.570 31.840 1.00 0.00 N ATOM 797 CA LYS A 33 17.740 41.830 31.390 1.00 0.00 C ATOM 798 C LYS A 33 18.240 40.650 30.540 1.00 0.00 C ATOM 799 O LYS A 33 18.690 40.850 29.420 1.00 0.00 O ATOM 800 CB LYS A 33 18.680 42.030 32.580 1.00 0.00 C ATOM 801 CG LYS A 33 19.930 42.900 32.340 1.00 0.00 C ATOM 802 CD LYS A 33 19.650 44.400 32.300 1.00 0.00 C ATOM 803 CE LYS A 33 20.970 45.180 32.160 1.00 0.00 C ATOM 804 NZ LYS A 33 21.600 44.930 30.850 1.00 0.00 N ATOM 0 H LYS A 33 16.244 41.591 32.853 1.00 0.00 H new ATOM 0 HA LYS A 33 17.736 42.743 30.794 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.108 42.475 33.394 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.010 41.049 32.921 1.00 0.00 H new ATOM 0 HG2 LYS A 33 20.656 42.698 33.128 1.00 0.00 H new ATOM 0 HG3 LYS A 33 20.391 42.602 31.398 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.990 44.633 31.464 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.132 44.706 33.209 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.779 46.247 32.277 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.654 44.889 32.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.370 45.613 30.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 21.985 43.964 30.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.890 45.036 30.097 1.00 0.00 H new ATOM 809 N THR A 34 18.160 39.440 31.080 1.00 0.00 N ATOM 810 CA THR A 34 18.670 38.250 30.370 1.00 0.00 C ATOM 811 C THR A 34 18.000 37.930 29.040 1.00 0.00 C ATOM 812 O THR A 34 18.690 37.680 28.060 1.00 0.00 O ATOM 813 CB THR A 34 18.570 36.990 31.220 1.00 0.00 C ATOM 814 OG1 THR A 34 17.220 36.870 31.640 1.00 0.00 O ATOM 815 CG2 THR A 34 19.580 37.020 32.370 1.00 0.00 C ATOM 0 H THR A 34 17.754 39.247 31.996 1.00 0.00 H new ATOM 0 HA THR A 34 19.704 38.531 30.169 1.00 0.00 H new ATOM 0 HB THR A 34 18.834 36.100 30.649 1.00 0.00 H new ATOM 0 HG1 THR A 34 17.048 35.950 31.931 1.00 0.00 H new ATOM 0 HG21 THR A 34 19.486 36.108 32.960 1.00 0.00 H new ATOM 0 HG22 THR A 34 20.590 37.088 31.966 1.00 0.00 H new ATOM 0 HG23 THR A 34 19.384 37.885 33.004 1.00 0.00 H new ATOM 818 N ARG A 35 16.670 38.010 29.000 1.00 0.00 N ATOM 819 CA ARG A 35 15.890 37.850 27.760 1.00 0.00 C ATOM 820 C ARG A 35 16.290 38.870 26.670 1.00 0.00 C ATOM 821 O ARG A 35 16.510 38.510 25.510 1.00 0.00 O ATOM 822 CB ARG A 35 14.420 37.910 28.190 1.00 0.00 C ATOM 823 CG ARG A 35 13.440 37.800 27.020 1.00 0.00 C ATOM 824 CD ARG A 35 11.980 38.020 27.440 1.00 0.00 C ATOM 825 NE ARG A 35 11.870 39.220 28.300 1.00 0.00 N ATOM 826 CZ ARG A 35 11.390 39.260 29.540 1.00 0.00 C ATOM 827 NH1 ARG A 35 10.770 38.220 30.130 1.00 0.00 N ATOM 828 NH2 ARG A 35 11.390 40.420 30.170 1.00 0.00 N ATOM 0 H ARG A 35 16.097 38.188 29.825 1.00 0.00 H new ATOM 0 HA ARG A 35 16.091 36.898 27.269 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.223 37.104 28.897 1.00 0.00 H new ATOM 0 HB3 ARG A 35 14.241 38.847 28.717 1.00 0.00 H new ATOM 0 HG2 ARG A 35 13.708 38.532 26.258 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.537 36.815 26.563 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.354 38.139 26.556 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.612 37.145 27.976 1.00 0.00 H new ATOM 0 HE ARG A 35 12.194 40.102 27.903 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.649 37.344 29.622 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.422 38.309 31.085 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.751 41.253 29.705 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.029 40.483 31.122 1.00 0.00 H new ATOM 835 N GLU A 36 16.580 40.110 27.080 1.00 0.00 N ATOM 836 CA GLU A 36 17.270 41.110 26.240 1.00 0.00 C ATOM 837 C GLU A 36 18.640 40.630 25.710 1.00 0.00 C ATOM 838 O GLU A 36 18.920 40.660 24.510 1.00 0.00 O ATOM 839 CB GLU A 36 17.360 42.340 27.150 1.00 0.00 C ATOM 840 CG GLU A 36 18.130 43.550 26.610 1.00 0.00 C ATOM 841 CD GLU A 36 17.190 44.750 26.460 1.00 0.00 C ATOM 842 OE1 GLU A 36 16.120 44.570 25.840 1.00 0.00 O ATOM 843 OE2 GLU A 36 17.450 45.810 27.080 1.00 0.00 O ATOM 0 H GLU A 36 16.343 40.456 28.010 1.00 0.00 H new ATOM 0 HA GLU A 36 16.731 41.319 25.316 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.346 42.662 27.386 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.824 42.034 28.088 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.948 43.801 27.286 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.577 43.306 25.646 1.00 0.00 H new ATOM 845 N LYS A 37 19.470 40.090 26.610 1.00 0.00 N ATOM 846 CA LYS A 37 20.810 39.580 26.280 1.00 0.00 C ATOM 847 C LYS A 37 20.790 38.520 25.170 1.00 0.00 C ATOM 848 O LYS A 37 21.460 38.660 24.150 1.00 0.00 O ATOM 849 CB LYS A 37 21.410 38.970 27.550 1.00 0.00 C ATOM 850 CG LYS A 37 22.010 40.020 28.470 1.00 0.00 C ATOM 851 CD LYS A 37 23.430 40.350 28.010 1.00 0.00 C ATOM 852 CE LYS A 37 23.910 41.630 28.700 1.00 0.00 C ATOM 853 NZ LYS A 37 25.190 42.140 28.170 1.00 0.00 N ATOM 0 H LYS A 37 19.230 39.993 27.597 1.00 0.00 H new ATOM 0 HA LYS A 37 21.407 40.413 25.909 1.00 0.00 H new ATOM 0 HB2 LYS A 37 20.636 38.421 28.086 1.00 0.00 H new ATOM 0 HB3 LYS A 37 22.180 38.249 27.275 1.00 0.00 H new ATOM 0 HG2 LYS A 37 21.395 40.920 28.462 1.00 0.00 H new ATOM 0 HG3 LYS A 37 22.025 39.654 29.496 1.00 0.00 H new ATOM 0 HD2 LYS A 37 24.101 39.524 28.247 1.00 0.00 H new ATOM 0 HD3 LYS A 37 23.452 40.478 26.928 1.00 0.00 H new ATOM 0 HE2 LYS A 37 23.147 42.401 28.590 1.00 0.00 H new ATOM 0 HE3 LYS A 37 24.018 41.439 29.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 25.456 43.006 28.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 25.930 41.421 28.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 25.086 42.353 27.157 1.00 0.00 H new ATOM 858 N VAL A 38 19.950 37.520 25.400 1.00 0.00 N ATOM 859 CA VAL A 38 19.790 36.350 24.490 1.00 0.00 C ATOM 860 C VAL A 38 19.200 36.750 23.140 1.00 0.00 C ATOM 861 O VAL A 38 19.700 36.290 22.120 1.00 0.00 O ATOM 862 CB VAL A 38 18.970 35.170 25.060 1.00 0.00 C ATOM 863 CG1 VAL A 38 19.170 33.930 24.180 1.00 0.00 C ATOM 864 CG2 VAL A 38 19.360 34.860 26.500 1.00 0.00 C ATOM 0 H VAL A 38 19.348 37.480 26.223 1.00 0.00 H new ATOM 0 HA VAL A 38 20.813 35.992 24.370 1.00 0.00 H new ATOM 0 HB VAL A 38 17.918 35.455 25.057 1.00 0.00 H new ATOM 0 HG11 VAL A 38 18.591 33.100 24.584 1.00 0.00 H new ATOM 0 HG12 VAL A 38 18.835 34.146 23.165 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.226 33.662 24.164 1.00 0.00 H new ATOM 0 HG21 VAL A 38 18.763 34.025 26.867 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.417 34.596 26.542 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.180 35.736 27.123 1.00 0.00 H new ATOM 866 N GLU A 39 18.280 37.710 23.140 1.00 0.00 N ATOM 867 CA GLU A 39 17.770 38.270 21.870 1.00 0.00 C ATOM 868 C GLU A 39 18.870 38.970 21.050 1.00 0.00 C ATOM 869 O GLU A 39 19.130 38.580 19.910 1.00 0.00 O ATOM 870 CB GLU A 39 16.560 39.170 22.140 1.00 0.00 C ATOM 871 CG GLU A 39 15.360 38.290 22.510 1.00 0.00 C ATOM 872 CD GLU A 39 14.070 39.070 22.780 1.00 0.00 C ATOM 873 OE1 GLU A 39 13.720 39.940 21.960 1.00 0.00 O ATOM 874 OE2 GLU A 39 13.380 38.730 23.770 1.00 0.00 O ATOM 0 H GLU A 39 17.872 38.117 23.982 1.00 0.00 H new ATOM 0 HA GLU A 39 17.434 37.444 21.244 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.781 39.866 22.949 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.331 39.769 21.258 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.180 37.581 21.702 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.611 37.706 23.396 1.00 0.00 H new ATOM 876 N ALA A 40 19.680 39.780 21.740 1.00 0.00 N ATOM 877 CA ALA A 40 20.870 40.440 21.160 1.00 0.00 C ATOM 878 C ALA A 40 21.940 39.420 20.730 1.00 0.00 C ATOM 879 O ALA A 40 22.630 39.640 19.740 1.00 0.00 O ATOM 880 CB ALA A 40 21.450 41.450 22.150 1.00 0.00 C ATOM 0 H ALA A 40 19.533 40.002 22.725 1.00 0.00 H new ATOM 0 HA ALA A 40 20.551 40.969 20.262 1.00 0.00 H new ATOM 0 HB1 ALA A 40 22.325 41.929 21.711 1.00 0.00 H new ATOM 0 HB2 ALA A 40 20.700 42.207 22.380 1.00 0.00 H new ATOM 0 HB3 ALA A 40 21.739 40.936 23.067 1.00 0.00 H new ATOM 882 N ALA A 41 22.080 38.340 21.500 1.00 0.00 N ATOM 883 CA ALA A 41 22.950 37.180 21.190 1.00 0.00 C ATOM 884 C ALA A 41 22.540 36.460 19.900 1.00 0.00 C ATOM 885 O ALA A 41 23.330 36.490 18.960 1.00 0.00 O ATOM 886 CB ALA A 41 22.950 36.190 22.360 1.00 0.00 C ATOM 0 H ALA A 41 21.582 38.235 22.384 1.00 0.00 H new ATOM 0 HA ALA A 41 23.955 37.572 21.036 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.592 35.343 22.120 1.00 0.00 H new ATOM 0 HB2 ALA A 41 23.323 36.686 23.256 1.00 0.00 H new ATOM 0 HB3 ALA A 41 21.934 35.836 22.537 1.00 0.00 H new ATOM 888 N MET A 42 21.260 36.080 19.820 1.00 0.00 N ATOM 889 CA MET A 42 20.600 35.540 18.610 1.00 0.00 C ATOM 890 C MET A 42 20.790 36.400 17.350 1.00 0.00 C ATOM 891 O MET A 42 20.680 35.910 16.230 1.00 0.00 O ATOM 892 CB MET A 42 19.090 35.360 18.780 1.00 0.00 C ATOM 893 CG MET A 42 18.770 34.160 19.660 1.00 0.00 C ATOM 894 SD MET A 42 19.640 32.630 19.180 1.00 0.00 S ATOM 895 CE MET A 42 19.010 31.680 20.550 1.00 0.00 C ATOM 0 H MET A 42 20.628 36.139 20.618 1.00 0.00 H new ATOM 0 HA MET A 42 21.097 34.579 18.480 1.00 0.00 H new ATOM 0 HB2 MET A 42 18.662 36.261 19.220 1.00 0.00 H new ATOM 0 HB3 MET A 42 18.625 35.231 17.803 1.00 0.00 H new ATOM 0 HG2 MET A 42 19.025 34.402 20.692 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.696 33.978 19.631 1.00 0.00 H new ATOM 0 HE1 MET A 42 19.358 30.650 20.469 1.00 0.00 H new ATOM 0 HE2 MET A 42 19.366 32.111 21.486 1.00 0.00 H new ATOM 0 HE3 MET A 42 17.920 31.697 20.534 1.00 0.00 H new ATOM 897 N ALA A 43 20.960 37.700 17.570 1.00 0.00 N ATOM 898 CA ALA A 43 21.120 38.680 16.480 1.00 0.00 C ATOM 899 C ALA A 43 22.580 38.780 16.000 1.00 0.00 C ATOM 900 O ALA A 43 22.910 38.270 14.930 1.00 0.00 O ATOM 901 CB ALA A 43 20.520 40.010 16.940 1.00 0.00 C ATOM 0 H ALA A 43 20.992 38.111 18.503 1.00 0.00 H new ATOM 0 HA ALA A 43 20.576 38.352 15.594 1.00 0.00 H new ATOM 0 HB1 ALA A 43 20.628 40.751 16.148 1.00 0.00 H new ATOM 0 HB2 ALA A 43 19.463 39.873 17.168 1.00 0.00 H new ATOM 0 HB3 ALA A 43 21.042 40.355 17.833 1.00 0.00 H new ATOM 903 N GLU A 44 23.490 39.250 16.860 1.00 0.00 N ATOM 904 CA GLU A 44 24.940 39.280 16.560 1.00 0.00 C ATOM 905 C GLU A 44 25.530 37.940 16.130 1.00 0.00 C ATOM 906 O GLU A 44 26.290 37.870 15.160 1.00 0.00 O ATOM 907 CB GLU A 44 25.690 39.900 17.750 1.00 0.00 C ATOM 908 CG GLU A 44 25.740 41.430 17.590 1.00 0.00 C ATOM 909 CD GLU A 44 24.340 42.050 17.410 1.00 0.00 C ATOM 910 OE1 GLU A 44 23.550 41.990 18.360 1.00 0.00 O ATOM 911 OE2 GLU A 44 24.010 42.460 16.270 1.00 0.00 O ATOM 0 H GLU A 44 23.252 39.620 17.780 1.00 0.00 H new ATOM 0 HA GLU A 44 25.073 39.908 15.679 1.00 0.00 H new ATOM 0 HB2 GLU A 44 25.191 39.638 18.683 1.00 0.00 H new ATOM 0 HB3 GLU A 44 26.701 39.497 17.805 1.00 0.00 H new ATOM 0 HG2 GLU A 44 26.218 41.868 18.466 1.00 0.00 H new ATOM 0 HG3 GLU A 44 26.359 41.682 16.729 1.00 0.00 H new ATOM 913 N LEU A 45 25.000 36.880 16.730 1.00 0.00 N ATOM 914 CA LEU A 45 25.190 35.500 16.280 1.00 0.00 C ATOM 915 C LEU A 45 23.860 34.990 15.710 1.00 0.00 C ATOM 916 O LEU A 45 22.970 34.550 16.430 1.00 0.00 O ATOM 917 CB LEU A 45 25.610 34.630 17.460 1.00 0.00 C ATOM 918 CG LEU A 45 26.930 35.050 18.120 1.00 0.00 C ATOM 919 CD1 LEU A 45 27.140 34.200 19.370 1.00 0.00 C ATOM 920 CD2 LEU A 45 28.130 34.860 17.180 1.00 0.00 C ATOM 0 H LEU A 45 24.413 36.954 17.561 1.00 0.00 H new ATOM 0 HA LEU A 45 25.966 35.457 15.516 1.00 0.00 H new ATOM 0 HB2 LEU A 45 24.820 34.651 18.211 1.00 0.00 H new ATOM 0 HB3 LEU A 45 25.700 33.598 17.121 1.00 0.00 H new ATOM 0 HG LEU A 45 26.865 36.110 18.368 1.00 0.00 H new ATOM 0 HD11 LEU A 45 28.075 34.486 19.852 1.00 0.00 H new ATOM 0 HD12 LEU A 45 26.312 34.359 20.061 1.00 0.00 H new ATOM 0 HD13 LEU A 45 27.183 33.147 19.091 1.00 0.00 H new ATOM 0 HD21 LEU A 45 29.043 35.170 17.688 1.00 0.00 H new ATOM 0 HD22 LEU A 45 28.209 33.810 16.899 1.00 0.00 H new ATOM 0 HD23 LEU A 45 27.990 35.465 16.284 1.00 0.00 H new ATOM 922 N ASN A 46 23.730 35.180 14.400 1.00 0.00 N ATOM 923 CA ASN A 46 22.700 34.550 13.550 1.00 0.00 C ATOM 924 C ASN A 46 21.970 33.270 14.040 1.00 0.00 C ATOM 925 O ASN A 46 20.770 33.180 13.810 1.00 0.00 O ATOM 926 CB ASN A 46 23.330 34.310 12.180 1.00 0.00 C ATOM 927 CG ASN A 46 24.330 33.150 12.170 1.00 0.00 C ATOM 928 OD1 ASN A 46 23.980 31.990 11.990 1.00 0.00 O ATOM 929 ND2 ASN A 46 25.540 33.380 12.590 1.00 0.00 N ATOM 0 H ASN A 46 24.353 35.794 13.876 1.00 0.00 H new ATOM 0 HA ASN A 46 21.876 35.264 13.558 1.00 0.00 H new ATOM 0 HB2 ASN A 46 22.541 34.108 11.455 1.00 0.00 H new ATOM 0 HB3 ASN A 46 23.835 35.220 11.855 1.00 0.00 H new ATOM 0 HD21 ASN A 46 26.176 32.602 12.763 1.00 0.00 H new ATOM 0 HD22 ASN A 46 25.852 34.338 12.746 1.00 0.00 H new ATOM 933 N TYR A 47 22.640 32.350 14.740 1.00 0.00 N ATOM 934 CA TYR A 47 22.080 31.050 15.200 1.00 0.00 C ATOM 935 C TYR A 47 21.430 30.160 14.140 1.00 0.00 C ATOM 936 O TYR A 47 20.420 30.490 13.510 1.00 0.00 O ATOM 937 CB TYR A 47 21.170 31.230 16.420 1.00 0.00 C ATOM 938 CG TYR A 47 20.650 29.910 16.990 1.00 0.00 C ATOM 939 CD1 TYR A 47 21.540 28.900 17.430 1.00 0.00 C ATOM 940 CD2 TYR A 47 19.260 29.690 16.960 1.00 0.00 C ATOM 941 CE1 TYR A 47 21.030 27.630 17.800 1.00 0.00 C ATOM 942 CE2 TYR A 47 18.750 28.450 17.350 1.00 0.00 C ATOM 943 CZ TYR A 47 19.630 27.420 17.750 1.00 0.00 C ATOM 944 OH TYR A 47 19.010 26.260 18.120 1.00 0.00 O ATOM 0 H TYR A 47 23.613 32.480 15.016 1.00 0.00 H new ATOM 0 HA TYR A 47 22.968 30.485 15.485 1.00 0.00 H new ATOM 0 HB2 TYR A 47 21.718 31.762 17.198 1.00 0.00 H new ATOM 0 HB3 TYR A 47 20.322 31.856 16.142 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.601 29.096 17.483 1.00 0.00 H new ATOM 0 HD2 TYR A 47 18.592 30.475 16.637 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.695 26.839 18.114 1.00 0.00 H new ATOM 0 HE2 TYR A 47 17.684 28.279 17.346 1.00 0.00 H new ATOM 0 HH TYR A 47 19.559 25.495 17.848 1.00 0.00 H new ATOM 947 N ILE A 48 21.950 28.940 14.100 1.00 0.00 N ATOM 948 CA ILE A 48 21.440 27.940 13.150 1.00 0.00 C ATOM 949 C ILE A 48 20.990 26.690 13.920 1.00 0.00 C ATOM 950 O ILE A 48 21.840 26.010 14.490 1.00 0.00 O ATOM 951 CB ILE A 48 22.420 27.570 12.020 1.00 0.00 C ATOM 952 CG1 ILE A 48 23.240 28.750 11.490 1.00 0.00 C ATOM 953 CG2 ILE A 48 21.640 26.940 10.850 1.00 0.00 C ATOM 954 CD1 ILE A 48 24.520 28.880 12.330 1.00 0.00 C ATOM 0 H ILE A 48 22.710 28.616 14.698 1.00 0.00 H new ATOM 0 HA ILE A 48 20.593 28.400 12.641 1.00 0.00 H new ATOM 0 HB ILE A 48 23.130 26.866 12.455 1.00 0.00 H new ATOM 0 HG12 ILE A 48 23.491 28.594 10.441 1.00 0.00 H new ATOM 0 HG13 ILE A 48 22.657 29.670 11.545 1.00 0.00 H new ATOM 0 HG21 ILE A 48 22.333 26.678 10.050 1.00 0.00 H new ATOM 0 HG22 ILE A 48 21.128 26.042 11.196 1.00 0.00 H new ATOM 0 HG23 ILE A 48 20.907 27.654 10.475 1.00 0.00 H new ATOM 0 HD11 ILE A 48 25.113 29.717 11.962 1.00 0.00 H new ATOM 0 HD12 ILE A 48 24.255 29.053 13.373 1.00 0.00 H new ATOM 0 HD13 ILE A 48 25.102 27.961 12.252 1.00 0.00 H new ATOM 956 N PRO A 49 19.670 26.420 13.950 1.00 0.00 N ATOM 957 CA PRO A 49 19.120 25.200 14.570 1.00 0.00 C ATOM 958 C PRO A 49 19.730 23.960 13.910 1.00 0.00 C ATOM 959 O PRO A 49 19.940 23.910 12.700 1.00 0.00 O ATOM 960 CB PRO A 49 17.620 25.250 14.300 1.00 0.00 C ATOM 961 CG PRO A 49 17.350 26.740 14.130 1.00 0.00 C ATOM 962 CD PRO A 49 18.590 27.260 13.410 1.00 0.00 C ATOM 0 HA PRO A 49 19.340 25.148 15.636 1.00 0.00 H new ATOM 0 HB2 PRO A 49 17.352 24.687 13.406 1.00 0.00 H new ATOM 0 HB3 PRO A 49 17.047 24.828 15.126 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.446 26.918 13.547 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.211 27.233 15.092 1.00 0.00 H new ATOM 0 HD2 PRO A 49 18.501 27.155 12.329 1.00 0.00 H new ATOM 0 HD3 PRO A 49 18.761 28.317 13.615 1.00 0.00 H new ATOM 963 N ASN A 50 20.230 23.100 14.800 1.00 0.00 N ATOM 964 CA ASN A 50 20.870 21.790 14.540 1.00 0.00 C ATOM 965 C ASN A 50 22.250 21.900 13.900 1.00 0.00 C ATOM 966 O ASN A 50 22.870 20.930 13.470 1.00 0.00 O ATOM 967 CB ASN A 50 19.970 20.810 13.760 1.00 0.00 C ATOM 968 CG ASN A 50 18.660 20.550 14.490 1.00 0.00 C ATOM 969 OD1 ASN A 50 18.250 21.200 15.450 1.00 0.00 O ATOM 970 ND2 ASN A 50 17.980 19.500 14.120 1.00 0.00 N ATOM 0 H ASN A 50 20.200 23.308 15.798 1.00 0.00 H new ATOM 0 HA ASN A 50 21.017 21.365 15.533 1.00 0.00 H new ATOM 0 HB2 ASN A 50 19.761 21.216 12.770 1.00 0.00 H new ATOM 0 HB3 ASN A 50 20.498 19.868 13.613 1.00 0.00 H new ATOM 0 HD21 ASN A 50 17.133 19.238 14.624 1.00 0.00 H new ATOM 0 HD22 ASN A 50 18.296 18.941 13.327 1.00 0.00 H new ATOM 974 N ARG A 51 22.720 23.140 13.920 1.00 0.00 N ATOM 975 CA ARG A 51 24.150 23.480 13.800 1.00 0.00 C ATOM 976 C ARG A 51 24.730 24.080 15.100 1.00 0.00 C ATOM 977 O ARG A 51 25.970 24.100 15.180 1.00 0.00 O ATOM 978 CB ARG A 51 24.410 24.400 12.610 1.00 0.00 C ATOM 979 CG ARG A 51 24.100 23.730 11.260 1.00 0.00 C ATOM 980 CD ARG A 51 24.620 22.300 11.070 1.00 0.00 C ATOM 981 NE ARG A 51 26.080 22.300 11.080 1.00 0.00 N ATOM 982 CZ ARG A 51 26.870 22.150 10.010 1.00 0.00 C ATOM 983 NH1 ARG A 51 26.470 21.770 8.800 1.00 0.00 N ATOM 984 NH2 ARG A 51 28.170 22.230 10.200 1.00 0.00 N ATOM 985 OXT ARG A 51 23.920 24.460 15.970 1.00 0.00 O ATOM 0 H ARG A 51 22.118 23.957 14.021 1.00 0.00 H new ATOM 0 HA ARG A 51 24.674 22.541 13.623 1.00 0.00 H new ATOM 0 HB2 ARG A 51 23.803 25.299 12.712 1.00 0.00 H new ATOM 0 HB3 ARG A 51 25.453 24.717 12.622 1.00 0.00 H new ATOM 0 HG2 ARG A 51 23.019 23.720 11.124 1.00 0.00 H new ATOM 0 HG3 ARG A 51 24.515 24.352 10.467 1.00 0.00 H new ATOM 0 HD2 ARG A 51 24.242 21.657 11.865 1.00 0.00 H new ATOM 0 HD3 ARG A 51 24.254 21.892 10.128 1.00 0.00 H new ATOM 0 HE ARG A 51 26.539 22.425 11.982 1.00 0.00 H new ATOM 0 HH11 ARG A 51 25.485 21.565 8.629 1.00 0.00 H new ATOM 0 HH12 ARG A 51 27.148 21.683 8.043 1.00 0.00 H new ATOM 0 HH21 ARG A 51 28.539 22.400 11.135 1.00 0.00 H new ATOM 0 HH22 ARG A 51 28.808 22.122 9.412 1.00 0.00 H new TER 992 ARG A 51 HETATM 993 NA NA C 52 14.830 25.040 17.790 1.00 0.00 NA HETATM 994 O HOH B 853 11.350 37.460 35.810 1.00 0.00 O HETATM 997 O HOH B 902 21.100 16.580 16.780 1.00 0.00 O HETATM 1000 O HOH B 965 14.600 37.540 39.970 1.00 0.00 O HETATM 1003 O HOH B1584 20.250 35.110 35.540 1.00 0.00 O HETATM 1006 O HOH B2184 17.420 25.760 33.560 1.00 0.00 O HETATM 1009 O HOH B2490 17.170 36.180 37.910 1.00 0.00 O HETATM 1012 O HOH B2582 25.550 27.840 30.820 1.00 0.00 O HETATM 1015 O HOH B2691 8.400 30.640 39.650 1.00 0.00 O HETATM 1018 O HOH B3222 24.800 31.820 32.830 1.00 0.00 O HETATM 1021 O HOH B3303 9.650 27.990 42.380 1.00 0.00 O HETATM 1024 O HOH C 223 10.800 20.840 21.340 1.00 0.00 O HETATM 1027 O HOH C 703 12.240 20.830 18.770 1.00 0.00 O HETATM 1030 O HOH C 895 13.700 23.370 18.470 1.00 0.00 O HETATM 1033 O HOH C1046 14.110 22.870 31.590 1.00 0.00 O HETATM 1036 O HOH C1817 28.090 19.320 21.810 1.00 0.00 O HETATM 1039 O HOH C2471 21.860 22.600 22.100 1.00 0.00 O HETATM 1042 O HOH C2520 28.710 21.930 20.330 1.00 0.00 O HETATM 1045 O HOH C2570 26.030 20.710 20.620 1.00 0.00 O HETATM 1048 O HOH A 53 20.010 19.420 17.130 1.00 0.00 O HETATM 1051 O HOH A 54 25.390 19.890 13.150 1.00 0.00 O HETATM 1054 O HOH A 55 17.420 17.010 16.310 1.00 0.00 O HETATM 1057 O HOH A 56 10.520 34.570 35.210 1.00 0.00 O HETATM 1060 O HOH A 57 28.810 17.600 23.950 1.00 0.00 O HETATM 1063 O HOH A 58 15.950 27.370 31.920 1.00 0.00 O HETATM 1066 O HOH A 59 27.850 18.090 12.160 1.00 0.00 O HETATM 1069 O HOH A 60 14.640 22.250 26.360 1.00 0.00 O HETATM 1072 O HOH A 61 16.780 34.950 33.190 1.00 0.00 O HETATM 1075 O HOH A 62 16.580 24.210 18.810 1.00 0.00 O HETATM 1078 O HOH A 63 10.010 26.900 39.580 1.00 0.00 O HETATM 1081 O HOH A 64 15.400 30.150 31.860 1.00 0.00 O HETATM 1084 O HOH A 65 8.220 23.410 24.280 1.00 0.00 O HETATM 1087 O HOH A 66 9.720 32.220 36.490 1.00 0.00 O HETATM 1090 O HOH A 67 12.620 24.920 32.910 1.00 0.00 O HETATM 1093 O HOH A 68 28.570 21.930 12.850 1.00 0.00 O HETATM 1096 O HOH A 69 25.970 18.840 23.510 1.00 0.00 O HETATM 1099 O HOH A 70 25.880 16.840 25.510 1.00 0.00 O HETATM 1102 O HOH A 71 29.420 24.050 15.940 1.00 0.00 O HETATM 1105 O HOH A 72 24.720 19.130 26.650 1.00 0.00 O HETATM 1108 O HOH A 73 13.710 27.300 33.780 1.00 0.00 O HETATM 1111 O HOH A 74 22.010 32.300 32.770 1.00 0.00 O HETATM 1114 O HOH A 75 23.180 26.070 33.300 1.00 0.00 O HETATM 1117 O HOH A 76 24.200 21.220 22.450 1.00 0.00 O HETATM 1120 O HOH A 77 17.820 36.560 35.230 1.00 0.00 O HETATM 1123 O HOH A 78 24.880 21.920 30.570 1.00 0.00 O