USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 243 hydrogens (98 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 17 TYR OH : rot 40:sc= 1.99 USER MOD Set 1.2: A 18 GLN : amide:sc= 2.33 K(o=4.1,f=-4.9!) USER MOD Set 1.3: A 21 SER OG : rot 63:sc= 1.36 USER MOD Set 1.4: B 6 DT C7 :methyl -30:sc= -1.1 (180deg=-0.531) USER MOD Set 1.5: C 4 DT C7 :methyl -30:sc= -0.519 (180deg=-0.112) USER MOD Set 2.1: A 28 SER OG : rot -155:sc= 0.313 USER MOD Set 2.2: A 29 HIS : no HE2:sc= 0.403 K(o=0.4,f=-2.9!) USER MOD Set 2.3: B 3 DT C7 :methyl -30:sc= -0.32 (180deg=-2.94!) USER MOD Set 3.1: A 16 SER OG : rot -44:sc= 0.94 USER MOD Set 3.2: A 19 THR OG1 : rot -90:sc= 2.4 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0391 (180deg=-0.353) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -33:sc= 1.24 USER MOD Single : A 7 TYR OH : rot -118:sc= 2.33 USER MOD Single : A 12 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.52 K(o=1.5,f=0.31) USER MOD Single : A 26 GLN : amide:sc= -0.193 K(o=-0.19,f=-1.8!) USER MOD Single : A 31 SER OG : rot 130:sc= 2.56 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -8:sc= 1.58 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 155:sc= -0.0444 (180deg=-1.27) USER MOD Single : A 46 ASN : amide:sc= -0.0859 X(o=-0.086,f=0) USER MOD Single : A 47 TYR OH : rot -28:sc= 0.764 USER MOD Single : A 50 ASN : amide:sc= 0.793 X(o=0.79,f=1.1) USER MOD Single : B 1 DA O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.249 (180deg=-0.249) USER MOD Single : B 11 DG O3' : rot 67:sc= 0.00123 USER MOD Single : C 1 DC O5' : rot 180:sc= 0 USER MOD Single : C 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 11 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA B 1 8.090 29.550 48.440 1.00 0.00 O ATOM 2 C5' DA B 1 8.340 29.590 47.030 1.00 0.00 C ATOM 3 C4' DA B 1 9.490 30.500 46.610 1.00 0.00 C ATOM 4 O4' DA B 1 10.740 30.100 47.230 1.00 0.00 O ATOM 5 C3' DA B 1 9.700 30.280 45.130 1.00 0.00 C ATOM 6 O3' DA B 1 9.870 31.540 44.460 1.00 0.00 O ATOM 7 C2' DA B 1 10.890 29.370 45.060 1.00 0.00 C ATOM 8 C1' DA B 1 11.710 30.030 46.160 1.00 0.00 C ATOM 9 N9 DA B 1 12.880 29.240 46.620 1.00 0.00 N ATOM 10 C8 DA B 1 12.750 27.970 46.990 1.00 0.00 C ATOM 11 N7 DA B 1 13.820 27.550 47.660 1.00 0.00 N ATOM 12 C5 DA B 1 14.670 28.580 47.680 1.00 0.00 C ATOM 13 C6 DA B 1 15.950 28.780 48.190 1.00 0.00 C ATOM 14 N6 DA B 1 16.660 27.750 48.610 1.00 0.00 N ATOM 15 N1 DA B 1 16.580 29.960 48.070 1.00 0.00 N ATOM 16 C2 DA B 1 16.010 30.970 47.410 1.00 0.00 C ATOM 17 N3 DA B 1 14.790 30.810 46.880 1.00 0.00 N ATOM 18 C4 DA B 1 14.090 29.650 47.000 1.00 0.00 C ATOM 0 H5' DA B 1 7.432 29.918 46.523 1.00 0.00 H new ATOM 0 H5'' DA B 1 8.551 28.578 46.684 1.00 0.00 H new ATOM 0 H4' DA B 1 9.242 31.524 46.889 1.00 0.00 H new ATOM 0 H3' DA B 1 8.852 29.824 44.618 1.00 0.00 H new ATOM 0 H2' DA B 1 10.646 28.330 45.275 1.00 0.00 H new ATOM 0 H2'' DA B 1 11.385 29.387 44.089 1.00 0.00 H new ATOM 0 HO5' DA B 1 7.339 28.947 48.622 1.00 0.00 H new ATOM 0 H1' DA B 1 12.143 30.972 45.824 1.00 0.00 H new ATOM 0 H8 DA B 1 11.887 27.358 46.774 1.00 0.00 H new ATOM 0 H61 DA B 1 17.598 27.895 48.984 1.00 0.00 H new ATOM 0 H62 DA B 1 16.271 26.808 48.561 1.00 0.00 H new ATOM 0 H2 DA B 1 16.529 31.911 47.304 1.00 0.00 H new ATOM 22 P DA B 2 9.650 31.670 42.870 1.00 0.00 P ATOM 23 OP1 DA B 2 8.790 32.860 42.710 1.00 0.00 O ATOM 24 OP2 DA B 2 9.140 30.390 42.310 1.00 0.00 O ATOM 25 O5' DA B 2 11.160 31.910 42.400 1.00 0.00 O ATOM 26 C5' DA B 2 11.610 33.140 41.820 1.00 0.00 C ATOM 27 C4' DA B 2 13.070 33.060 41.360 1.00 0.00 C ATOM 28 O4' DA B 2 13.910 32.250 42.210 1.00 0.00 O ATOM 29 C3' DA B 2 13.170 32.460 39.980 1.00 0.00 C ATOM 30 O3' DA B 2 14.220 33.040 39.190 1.00 0.00 O ATOM 31 C2' DA B 2 13.470 31.010 40.230 1.00 0.00 C ATOM 32 C1' DA B 2 14.430 31.170 41.390 1.00 0.00 C ATOM 33 N9 DA B 2 14.490 29.960 42.220 1.00 0.00 N ATOM 34 C8 DA B 2 13.430 29.300 42.690 1.00 0.00 C ATOM 35 N7 DA B 2 13.830 28.360 43.550 1.00 0.00 N ATOM 36 C5 DA B 2 15.150 28.460 43.650 1.00 0.00 C ATOM 37 C6 DA B 2 16.170 27.780 44.320 1.00 0.00 C ATOM 38 N6 DA B 2 15.860 26.880 45.230 1.00 0.00 N ATOM 39 N1 DA B 2 17.470 28.040 44.090 1.00 0.00 N ATOM 40 C2 DA B 2 17.840 28.970 43.210 1.00 0.00 C ATOM 41 N3 DA B 2 16.900 29.680 42.560 1.00 0.00 N ATOM 42 C4 DA B 2 15.580 29.450 42.770 1.00 0.00 C ATOM 0 H5' DA B 2 11.503 33.944 42.548 1.00 0.00 H new ATOM 0 H5'' DA B 2 10.976 33.393 40.970 1.00 0.00 H new ATOM 0 H4' DA B 2 13.417 34.093 41.390 1.00 0.00 H new ATOM 0 H3' DA B 2 12.253 32.634 39.416 1.00 0.00 H new ATOM 0 H2' DA B 2 12.582 30.435 40.493 1.00 0.00 H new ATOM 0 H2'' DA B 2 13.925 30.519 39.370 1.00 0.00 H new ATOM 0 H1' DA B 2 15.432 31.366 41.007 1.00 0.00 H new ATOM 0 H8 DA B 2 12.404 29.496 42.416 1.00 0.00 H new ATOM 0 H61 DA B 2 16.598 26.379 45.724 1.00 0.00 H new ATOM 0 H62 DA B 2 14.881 26.684 45.441 1.00 0.00 H new ATOM 0 H2 DA B 2 18.887 29.152 43.020 1.00 0.00 H new ATOM 45 P DT B 3 13.840 33.560 37.730 1.00 0.00 P ATOM 46 OP1 DT B 3 13.260 34.900 37.950 1.00 0.00 O ATOM 47 OP2 DT B 3 13.020 32.550 37.010 1.00 0.00 O ATOM 48 O5' DT B 3 15.250 33.720 36.970 1.00 0.00 O ATOM 49 C5' DT B 3 15.730 32.690 36.110 1.00 0.00 C ATOM 50 C4' DT B 3 16.570 31.730 36.930 1.00 0.00 C ATOM 51 O4' DT B 3 15.880 30.830 37.810 1.00 0.00 O ATOM 52 C3' DT B 3 17.360 30.810 36.060 1.00 0.00 C ATOM 53 O3' DT B 3 18.400 31.530 35.350 1.00 0.00 O ATOM 54 C2' DT B 3 17.950 29.920 37.130 1.00 0.00 C ATOM 55 C1' DT B 3 17.000 30.070 38.300 1.00 0.00 C ATOM 56 N1 DT B 3 16.580 28.780 38.910 1.00 0.00 N ATOM 57 C2 DT B 3 17.500 28.110 39.760 1.00 0.00 C ATOM 58 O2 DT B 3 18.680 28.010 39.470 1.00 0.00 O ATOM 59 N3 DT B 3 17.030 27.170 40.670 1.00 0.00 N ATOM 60 C4 DT B 3 15.670 26.860 40.730 1.00 0.00 C ATOM 61 O4 DT B 3 15.300 26.340 41.780 1.00 0.00 O ATOM 62 C5 DT B 3 14.760 27.410 39.820 1.00 0.00 C ATOM 63 C7 DT B 3 13.320 26.900 39.770 1.00 0.00 C ATOM 64 C6 DT B 3 15.220 28.370 38.920 1.00 0.00 C ATOM 0 H5' DT B 3 16.324 33.117 35.302 1.00 0.00 H new ATOM 0 H5'' DT B 3 14.895 32.163 35.648 1.00 0.00 H new ATOM 0 H4' DT B 3 17.154 32.436 37.520 1.00 0.00 H new ATOM 0 H3' DT B 3 16.797 30.299 35.279 1.00 0.00 H new ATOM 0 H2' DT B 3 18.012 28.884 36.797 1.00 0.00 H new ATOM 0 H2'' DT B 3 18.961 30.231 37.395 1.00 0.00 H new ATOM 0 H1' DT B 3 17.505 30.581 39.120 1.00 0.00 H new ATOM 0 H3 DT B 3 17.684 26.703 41.299 1.00 0.00 H new ATOM 0 H71 DT B 3 13.296 25.850 40.062 1.00 0.00 H new ATOM 0 H72 DT B 3 12.704 27.482 40.456 1.00 0.00 H new ATOM 0 H73 DT B 3 12.932 27.004 38.757 1.00 0.00 H new ATOM 0 H6 DT B 3 14.529 28.811 38.217 1.00 0.00 H new ATOM 66 P DT B 4 19.180 30.910 34.100 1.00 0.00 P ATOM 67 OP1 DT B 4 19.750 32.080 33.400 1.00 0.00 O ATOM 68 OP2 DT B 4 18.370 29.930 33.350 1.00 0.00 O ATOM 69 O5' DT B 4 20.360 30.080 34.770 1.00 0.00 O ATOM 70 C5' DT B 4 21.250 30.730 35.690 1.00 0.00 C ATOM 71 C4' DT B 4 22.180 29.780 36.430 1.00 0.00 C ATOM 72 O4' DT B 4 21.470 28.850 37.270 1.00 0.00 O ATOM 73 C3' DT B 4 23.050 28.950 35.520 1.00 0.00 C ATOM 74 O3' DT B 4 24.330 28.890 36.150 1.00 0.00 O ATOM 75 C2' DT B 4 22.440 27.580 35.450 1.00 0.00 C ATOM 76 C1' DT B 4 21.850 27.520 36.840 1.00 0.00 C ATOM 77 N1 DT B 4 20.620 26.700 36.820 1.00 0.00 N ATOM 78 C2 DT B 4 20.420 25.770 37.840 1.00 0.00 C ATOM 79 O2 DT B 4 21.330 25.330 38.530 1.00 0.00 O ATOM 80 N3 DT B 4 19.150 25.280 38.100 1.00 0.00 N ATOM 81 C4 DT B 4 18.050 25.720 37.350 1.00 0.00 C ATOM 82 O4 DT B 4 16.970 25.710 37.950 1.00 0.00 O ATOM 83 C5 DT B 4 18.240 26.560 36.250 1.00 0.00 C ATOM 84 C7 DT B 4 17.100 26.890 35.290 1.00 0.00 C ATOM 85 C6 DT B 4 19.530 27.040 35.990 1.00 0.00 C ATOM 0 H5' DT B 4 20.660 31.285 36.419 1.00 0.00 H new ATOM 0 H5'' DT B 4 21.851 31.458 35.145 1.00 0.00 H new ATOM 0 H4' DT B 4 22.799 30.451 37.025 1.00 0.00 H new ATOM 0 H3' DT B 4 23.138 29.358 34.513 1.00 0.00 H new ATOM 0 H2' DT B 4 21.686 27.493 34.667 1.00 0.00 H new ATOM 0 H2'' DT B 4 23.178 26.798 35.270 1.00 0.00 H new ATOM 0 H1' DT B 4 22.594 27.094 37.513 1.00 0.00 H new ATOM 0 H3 DT B 4 19.014 24.594 38.843 1.00 0.00 H new ATOM 0 H71 DT B 4 17.253 27.885 34.871 1.00 0.00 H new ATOM 0 H72 DT B 4 17.079 26.156 34.484 1.00 0.00 H new ATOM 0 H73 DT B 4 16.152 26.865 35.828 1.00 0.00 H new ATOM 0 H6 DT B 4 19.694 27.683 35.138 1.00 0.00 H new ATOM 87 P DG B 5 25.670 28.660 35.310 1.00 0.00 P ATOM 88 OP1 DG B 5 26.720 29.390 36.060 1.00 0.00 O ATOM 89 OP2 DG B 5 25.490 29.100 33.910 1.00 0.00 O ATOM 90 O5' DG B 5 25.890 27.070 35.350 1.00 0.00 O ATOM 91 C5' DG B 5 26.310 26.520 36.610 1.00 0.00 C ATOM 92 C4' DG B 5 25.780 25.140 36.960 1.00 0.00 C ATOM 93 O4' DG B 5 24.370 25.060 36.690 1.00 0.00 O ATOM 94 C3' DG B 5 26.460 24.060 36.140 1.00 0.00 C ATOM 95 O3' DG B 5 27.350 23.330 37.020 1.00 0.00 O ATOM 96 C2' DG B 5 25.330 23.250 35.550 1.00 0.00 C ATOM 97 C1' DG B 5 24.110 23.690 36.370 1.00 0.00 C ATOM 98 N9 DG B 5 22.830 23.580 35.630 1.00 0.00 N ATOM 99 C8 DG B 5 22.500 24.250 34.540 1.00 0.00 C ATOM 100 N7 DG B 5 21.170 24.190 34.350 1.00 0.00 N ATOM 101 C5 DG B 5 20.650 23.470 35.350 1.00 0.00 C ATOM 102 C6 DG B 5 19.370 23.000 35.700 1.00 0.00 C ATOM 103 O6 DG B 5 18.340 23.450 35.190 1.00 0.00 O ATOM 104 N1 DG B 5 19.230 22.120 36.780 1.00 0.00 N ATOM 105 C2 DG B 5 20.360 21.740 37.490 1.00 0.00 C ATOM 106 N2 DG B 5 20.290 20.690 38.240 1.00 0.00 N ATOM 107 N3 DG B 5 21.560 22.240 37.190 1.00 0.00 N ATOM 108 C4 DG B 5 21.730 23.070 36.150 1.00 0.00 C ATOM 0 H5' DG B 5 26.012 27.210 37.399 1.00 0.00 H new ATOM 0 H5'' DG B 5 27.399 26.479 36.618 1.00 0.00 H new ATOM 0 H4' DG B 5 25.983 24.984 38.020 1.00 0.00 H new ATOM 0 H3' DG B 5 27.088 24.414 35.323 1.00 0.00 H new ATOM 0 H2' DG B 5 25.197 23.459 34.489 1.00 0.00 H new ATOM 0 H2'' DG B 5 25.512 22.179 35.643 1.00 0.00 H new ATOM 0 H1' DG B 5 23.988 23.048 37.242 1.00 0.00 H new ATOM 0 H8 DG B 5 23.195 24.769 33.897 1.00 0.00 H new ATOM 0 H1 DG B 5 18.311 21.763 37.041 1.00 0.00 H new ATOM 0 H21 DG B 5 21.106 20.388 38.773 1.00 0.00 H new ATOM 0 H22 DG B 5 19.419 20.163 38.299 1.00 0.00 H new ATOM 112 P DT B 6 28.440 22.240 36.580 1.00 0.00 P ATOM 113 OP1 DT B 6 29.640 22.540 37.390 1.00 0.00 O ATOM 114 OP2 DT B 6 28.600 22.170 35.110 1.00 0.00 O ATOM 115 O5' DT B 6 27.770 20.840 36.990 1.00 0.00 O ATOM 116 C5' DT B 6 27.150 20.610 38.270 1.00 0.00 C ATOM 117 C4' DT B 6 26.100 19.500 38.220 1.00 0.00 C ATOM 118 O4' DT B 6 24.820 19.860 37.670 1.00 0.00 O ATOM 119 C3' DT B 6 26.630 18.340 37.420 1.00 0.00 C ATOM 120 O3' DT B 6 26.850 17.200 38.260 1.00 0.00 O ATOM 121 C2' DT B 6 25.580 18.060 36.390 1.00 0.00 C ATOM 122 C1' DT B 6 24.330 18.670 37.030 1.00 0.00 C ATOM 123 N1 DT B 6 23.310 19.090 36.040 1.00 0.00 N ATOM 124 C2 DT B 6 21.970 18.630 36.090 1.00 0.00 C ATOM 125 O2 DT B 6 21.630 17.600 36.660 1.00 0.00 O ATOM 126 N3 DT B 6 21.030 19.250 35.260 1.00 0.00 N ATOM 127 C4 DT B 6 21.440 20.230 34.350 1.00 0.00 C ATOM 128 O4 DT B 6 20.560 20.760 33.680 1.00 0.00 O ATOM 129 C5 DT B 6 22.780 20.610 34.220 1.00 0.00 C ATOM 130 C7 DT B 6 23.350 21.050 32.880 1.00 0.00 C ATOM 131 C6 DT B 6 23.680 20.080 35.120 1.00 0.00 C ATOM 0 H5' DT B 6 26.683 21.532 38.615 1.00 0.00 H new ATOM 0 H5'' DT B 6 27.916 20.348 39.000 1.00 0.00 H new ATOM 0 H4' DT B 6 25.922 19.255 39.267 1.00 0.00 H new ATOM 0 H3' DT B 6 27.592 18.567 36.961 1.00 0.00 H new ATOM 0 H2' DT B 6 25.815 18.524 35.432 1.00 0.00 H new ATOM 0 H2'' DT B 6 25.464 16.992 36.207 1.00 0.00 H new ATOM 0 H1' DT B 6 23.851 17.942 37.684 1.00 0.00 H new ATOM 0 H3 DT B 6 20.046 18.988 35.318 1.00 0.00 H new ATOM 0 H71 DT B 6 22.819 20.543 32.075 1.00 0.00 H new ATOM 0 H72 DT B 6 23.231 22.128 32.770 1.00 0.00 H new ATOM 0 H73 DT B 6 24.409 20.795 32.834 1.00 0.00 H new ATOM 0 H6 DT B 6 24.699 20.438 35.116 1.00 0.00 H new ATOM 133 P DG B 7 27.660 15.900 37.780 1.00 0.00 P ATOM 134 OP1 DG B 7 28.440 15.370 38.930 1.00 0.00 O ATOM 135 OP2 DG B 7 28.390 16.180 36.510 1.00 0.00 O ATOM 136 O5' DG B 7 26.470 14.880 37.420 1.00 0.00 O ATOM 137 C5' DG B 7 25.230 14.820 38.170 1.00 0.00 C ATOM 138 C4' DG B 7 23.990 14.520 37.310 1.00 0.00 C ATOM 139 O4' DG B 7 23.700 15.530 36.320 1.00 0.00 O ATOM 140 C3' DG B 7 24.080 13.240 36.500 1.00 0.00 C ATOM 141 O3' DG B 7 23.060 12.310 36.920 1.00 0.00 O ATOM 142 C2' DG B 7 23.820 13.640 35.070 1.00 0.00 C ATOM 143 C1' DG B 7 22.950 14.870 35.300 1.00 0.00 C ATOM 144 N9 DG B 7 22.780 15.770 34.140 1.00 0.00 N ATOM 145 C8 DG B 7 23.740 16.420 33.500 1.00 0.00 C ATOM 146 N7 DG B 7 23.210 17.320 32.660 1.00 0.00 N ATOM 147 C5 DG B 7 21.880 17.240 32.780 1.00 0.00 C ATOM 148 C6 DG B 7 20.780 17.890 32.200 1.00 0.00 C ATOM 149 O6 DG B 7 20.910 18.890 31.490 1.00 0.00 O ATOM 150 N1 DG B 7 19.480 17.490 32.540 1.00 0.00 N ATOM 151 C2 DG B 7 19.310 16.470 33.460 1.00 0.00 C ATOM 152 N2 DG B 7 18.240 15.750 33.330 1.00 0.00 N ATOM 153 N3 DG B 7 20.360 15.890 34.040 1.00 0.00 N ATOM 154 C4 DG B 7 21.620 16.240 33.720 1.00 0.00 C ATOM 0 H5' DG B 7 25.082 15.770 38.683 1.00 0.00 H new ATOM 0 H5'' DG B 7 25.320 14.053 38.939 1.00 0.00 H new ATOM 0 H4' DG B 7 23.218 14.461 38.077 1.00 0.00 H new ATOM 0 H3' DG B 7 25.050 12.760 36.628 1.00 0.00 H new ATOM 0 H2' DG B 7 24.737 13.872 34.528 1.00 0.00 H new ATOM 0 H2'' DG B 7 23.304 12.863 34.506 1.00 0.00 H new ATOM 0 H1' DG B 7 21.922 14.593 35.532 1.00 0.00 H new ATOM 0 H8 DG B 7 24.798 16.249 33.635 1.00 0.00 H new ATOM 0 H1 DG B 7 18.671 17.944 32.116 1.00 0.00 H new ATOM 0 H21 DG B 7 18.059 14.983 33.978 1.00 0.00 H new ATOM 0 H22 DG B 7 17.579 15.950 32.580 1.00 0.00 H new ATOM 158 P DA B 8 23.280 10.730 36.760 1.00 0.00 P ATOM 159 OP1 DA B 8 22.960 10.160 38.090 1.00 0.00 O ATOM 160 OP2 DA B 8 24.620 10.480 36.190 1.00 0.00 O ATOM 161 O5' DA B 8 22.240 10.280 35.630 1.00 0.00 O ATOM 162 C5' DA B 8 20.800 10.330 35.740 1.00 0.00 C ATOM 163 C4' DA B 8 20.150 10.660 34.400 1.00 0.00 C ATOM 164 O4' DA B 8 20.330 12.020 33.900 1.00 0.00 O ATOM 165 C3' DA B 8 20.620 9.740 33.280 1.00 0.00 C ATOM 166 O3' DA B 8 19.570 9.230 32.450 1.00 0.00 O ATOM 167 C2' DA B 8 21.400 10.660 32.390 1.00 0.00 C ATOM 168 C1' DA B 8 20.520 11.890 32.470 1.00 0.00 C ATOM 169 N9 DA B 8 21.090 13.090 31.800 1.00 0.00 N ATOM 170 C8 DA B 8 22.390 13.340 31.660 1.00 0.00 C ATOM 171 N7 DA B 8 22.590 14.370 30.850 1.00 0.00 N ATOM 172 C5 DA B 8 21.400 14.790 30.470 1.00 0.00 C ATOM 173 C6 DA B 8 20.930 15.870 29.720 1.00 0.00 C ATOM 174 N6 DA B 8 21.770 16.580 28.990 1.00 0.00 N ATOM 175 N1 DA B 8 19.610 16.080 29.570 1.00 0.00 N ATOM 176 C2 DA B 8 18.710 15.260 30.110 1.00 0.00 C ATOM 177 N3 DA B 8 19.120 14.230 30.850 1.00 0.00 N ATOM 178 C4 DA B 8 20.430 13.980 31.060 1.00 0.00 C ATOM 0 H5' DA B 8 20.516 11.080 36.478 1.00 0.00 H new ATOM 0 H5'' DA B 8 20.428 9.371 36.100 1.00 0.00 H new ATOM 0 H4' DA B 8 19.097 10.523 34.644 1.00 0.00 H new ATOM 0 H3' DA B 8 21.137 8.885 33.715 1.00 0.00 H new ATOM 0 H2' DA B 8 22.410 10.843 32.758 1.00 0.00 H new ATOM 0 H2'' DA B 8 21.495 10.278 31.373 1.00 0.00 H new ATOM 0 H1' DA B 8 19.581 11.795 31.924 1.00 0.00 H new ATOM 0 H8 DA B 8 23.177 12.779 32.142 1.00 0.00 H new ATOM 0 H61 DA B 8 21.428 17.369 28.442 1.00 0.00 H new ATOM 0 H62 DA B 8 22.761 16.339 28.974 1.00 0.00 H new ATOM 0 H2 DA B 8 17.655 15.428 29.949 1.00 0.00 H new ATOM 181 P DG B 9 18.370 8.320 33.000 1.00 0.00 P ATOM 182 OP1 DG B 9 17.340 9.180 33.650 1.00 0.00 O ATOM 183 OP2 DG B 9 18.890 7.140 33.720 1.00 0.00 O ATOM 184 O5' DG B 9 17.780 7.940 31.560 1.00 0.00 O ATOM 185 C5' DG B 9 16.960 8.920 30.890 1.00 0.00 C ATOM 186 C4' DG B 9 17.520 9.480 29.610 1.00 0.00 C ATOM 187 O4' DG B 9 18.570 10.450 29.690 1.00 0.00 O ATOM 188 C3' DG B 9 18.030 8.360 28.740 1.00 0.00 C ATOM 189 O3' DG B 9 17.220 8.330 27.560 1.00 0.00 O ATOM 190 C2' DG B 9 19.410 8.790 28.390 1.00 0.00 C ATOM 191 C1' DG B 9 19.150 10.290 28.390 1.00 0.00 C ATOM 192 N9 DG B 9 20.330 11.140 28.190 1.00 0.00 N ATOM 193 C8 DG B 9 21.500 10.910 28.760 1.00 0.00 C ATOM 194 N7 DG B 9 22.340 11.900 28.480 1.00 0.00 N ATOM 195 C5 DG B 9 21.680 12.770 27.730 1.00 0.00 C ATOM 196 C6 DG B 9 22.030 13.970 27.090 1.00 0.00 C ATOM 197 O6 DG B 9 23.130 14.490 27.270 1.00 0.00 O ATOM 198 N1 DG B 9 21.100 14.630 26.280 1.00 0.00 N ATOM 199 C2 DG B 9 19.820 14.100 26.120 1.00 0.00 C ATOM 200 N2 DG B 9 18.930 14.710 25.370 1.00 0.00 N ATOM 201 N3 DG B 9 19.490 12.960 26.760 1.00 0.00 N ATOM 202 C4 DG B 9 20.380 12.300 27.530 1.00 0.00 C ATOM 0 H5' DG B 9 16.780 9.746 31.578 1.00 0.00 H new ATOM 0 H5'' DG B 9 15.992 8.469 30.674 1.00 0.00 H new ATOM 0 H4' DG B 9 16.662 10.017 29.206 1.00 0.00 H new ATOM 0 H3' DG B 9 18.007 7.376 29.209 1.00 0.00 H new ATOM 0 H2' DG B 9 20.154 8.484 29.126 1.00 0.00 H new ATOM 0 H2'' DG B 9 19.744 8.413 27.423 1.00 0.00 H new ATOM 0 H1' DG B 9 18.531 10.610 27.552 1.00 0.00 H new ATOM 0 H8 DG B 9 21.738 10.046 29.363 1.00 0.00 H new ATOM 0 H1 DG B 9 21.357 15.497 25.808 1.00 0.00 H new ATOM 0 H21 DG B 9 17.997 14.313 25.261 1.00 0.00 H new ATOM 0 H22 DG B 9 19.172 15.581 24.897 1.00 0.00 H new ATOM 206 P DC B 10 17.220 7.100 26.550 1.00 0.00 P ATOM 207 OP1 DC B 10 16.070 6.260 26.960 1.00 0.00 O ATOM 208 OP2 DC B 10 18.580 6.520 26.410 1.00 0.00 O ATOM 209 O5' DC B 10 16.910 7.900 25.210 1.00 0.00 O ATOM 210 C5' DC B 10 15.770 8.770 25.150 1.00 0.00 C ATOM 211 C4' DC B 10 15.960 9.890 24.130 1.00 0.00 C ATOM 212 O4' DC B 10 17.160 10.640 24.440 1.00 0.00 O ATOM 213 C3' DC B 10 16.180 9.370 22.720 1.00 0.00 C ATOM 214 O3' DC B 10 15.420 10.200 21.780 1.00 0.00 O ATOM 215 C2' DC B 10 17.680 9.360 22.560 1.00 0.00 C ATOM 216 C1' DC B 10 17.940 10.680 23.230 1.00 0.00 C ATOM 217 N1 DC B 10 19.380 10.880 23.540 1.00 0.00 N ATOM 218 C2 DC B 10 20.060 12.050 23.150 1.00 0.00 C ATOM 219 O2 DC B 10 19.590 12.820 22.310 1.00 0.00 O ATOM 220 N3 DC B 10 21.310 12.260 23.590 1.00 0.00 N ATOM 221 C4 DC B 10 21.930 11.370 24.390 1.00 0.00 C ATOM 222 N4 DC B 10 23.190 11.660 24.600 1.00 0.00 N ATOM 223 C5 DC B 10 21.320 10.170 24.790 1.00 0.00 C ATOM 224 C6 DC B 10 20.020 9.930 24.320 1.00 0.00 C ATOM 0 H5' DC B 10 15.591 9.202 26.135 1.00 0.00 H new ATOM 0 H5'' DC B 10 14.884 8.190 24.891 1.00 0.00 H new ATOM 0 H4' DC B 10 15.050 10.488 24.180 1.00 0.00 H new ATOM 0 H3' DC B 10 15.811 8.365 22.518 1.00 0.00 H new ATOM 0 H2' DC B 10 18.161 8.520 23.062 1.00 0.00 H new ATOM 0 H2'' DC B 10 18.002 9.335 21.519 1.00 0.00 H new ATOM 0 H1' DC B 10 17.666 11.511 22.580 1.00 0.00 H new ATOM 0 H41 DC B 10 23.761 11.056 25.191 1.00 0.00 H new ATOM 0 H42 DC B 10 23.600 12.490 24.172 1.00 0.00 H new ATOM 0 H5 DC B 10 21.828 9.464 25.430 1.00 0.00 H new ATOM 0 H6 DC B 10 19.518 9.006 24.566 1.00 0.00 H new ATOM 227 P DG B 11 15.250 9.800 20.220 1.00 0.00 P ATOM 228 OP1 DG B 11 13.950 10.240 19.670 1.00 0.00 O ATOM 229 OP2 DG B 11 15.530 8.360 20.050 1.00 0.00 O ATOM 230 O5' DG B 11 16.490 10.570 19.540 1.00 0.00 O ATOM 231 C5' DG B 11 16.380 11.850 18.890 1.00 0.00 C ATOM 232 C4' DG B 11 17.750 12.330 18.410 1.00 0.00 C ATOM 233 O4' DG B 11 18.730 12.430 19.470 1.00 0.00 O ATOM 234 C3' DG B 11 18.350 11.430 17.340 1.00 0.00 C ATOM 235 O3' DG B 11 18.000 11.770 15.980 1.00 0.00 O ATOM 236 C2' DG B 11 19.840 11.660 17.530 1.00 0.00 C ATOM 237 C1' DG B 11 19.940 12.600 18.720 1.00 0.00 C ATOM 238 N9 DG B 11 21.120 12.260 19.550 1.00 0.00 N ATOM 239 C8 DG B 11 21.240 11.120 20.230 1.00 0.00 C ATOM 240 N7 DG B 11 22.430 11.070 20.840 1.00 0.00 N ATOM 241 C5 DG B 11 23.080 12.190 20.510 1.00 0.00 C ATOM 242 C6 DG B 11 24.360 12.670 20.770 1.00 0.00 C ATOM 243 O6 DG B 11 24.960 12.380 21.810 1.00 0.00 O ATOM 244 N1 DG B 11 24.790 13.820 20.110 1.00 0.00 N ATOM 245 C2 DG B 11 23.950 14.500 19.260 1.00 0.00 C ATOM 246 N2 DG B 11 24.340 15.690 18.900 1.00 0.00 N ATOM 247 N3 DG B 11 22.690 14.080 19.080 1.00 0.00 N ATOM 248 C4 DG B 11 22.250 12.940 19.670 1.00 0.00 C ATOM 0 H5' DG B 11 15.955 12.579 19.580 1.00 0.00 H new ATOM 0 H5'' DG B 11 15.697 11.776 18.043 1.00 0.00 H new ATOM 0 H4' DG B 11 17.542 13.320 18.004 1.00 0.00 H new ATOM 0 H3' DG B 11 17.991 10.408 17.458 1.00 0.00 H new ATOM 0 H2' DG B 11 20.363 10.723 17.721 1.00 0.00 H new ATOM 0 H2'' DG B 11 20.289 12.100 16.640 1.00 0.00 H new ATOM 0 HO3' DG B 11 18.400 12.633 15.745 1.00 0.00 H new ATOM 0 H1' DG B 11 20.062 13.634 18.399 1.00 0.00 H new ATOM 0 H8 DG B 11 20.486 10.348 20.281 1.00 0.00 H new ATOM 0 H1 DG B 11 25.740 14.161 20.259 1.00 0.00 H new ATOM 0 H21 DG B 11 23.762 16.247 18.271 1.00 0.00 H new ATOM 0 H22 DG B 11 25.223 16.064 19.248 1.00 0.00 H new TER 253 DG B 11 ATOM 254 O5' DC C 1 33.280 17.670 18.830 1.00 0.00 O ATOM 255 C5' DC C 1 32.290 18.610 19.290 1.00 0.00 C ATOM 256 C4' DC C 1 30.880 18.030 19.290 1.00 0.00 C ATOM 257 O4' DC C 1 30.650 16.820 20.030 1.00 0.00 O ATOM 258 C3' DC C 1 29.780 18.990 19.780 1.00 0.00 C ATOM 259 O3' DC C 1 29.280 19.700 18.650 1.00 0.00 O ATOM 260 C2' DC C 1 28.700 18.090 20.320 1.00 0.00 C ATOM 261 C1' DC C 1 29.210 16.720 20.000 1.00 0.00 C ATOM 262 N1 DC C 1 28.720 15.740 20.990 1.00 0.00 N ATOM 263 C2 DC C 1 27.870 14.690 20.590 1.00 0.00 C ATOM 264 O2 DC C 1 27.350 14.690 19.480 1.00 0.00 O ATOM 265 N3 DC C 1 27.350 13.880 21.540 1.00 0.00 N ATOM 266 C4 DC C 1 27.590 14.080 22.850 1.00 0.00 C ATOM 267 N4 DC C 1 27.250 13.050 23.590 1.00 0.00 N ATOM 268 C5 DC C 1 28.350 15.160 23.320 1.00 0.00 C ATOM 269 C6 DC C 1 28.960 15.960 22.360 1.00 0.00 C ATOM 0 H5' DC C 1 32.314 19.496 18.655 1.00 0.00 H new ATOM 0 H5'' DC C 1 32.545 18.934 20.299 1.00 0.00 H new ATOM 0 H4' DC C 1 30.815 17.823 18.222 1.00 0.00 H new ATOM 0 H3' DC C 1 30.130 19.705 20.525 1.00 0.00 H new ATOM 0 H2' DC C 1 28.559 18.228 21.392 1.00 0.00 H new ATOM 0 H2'' DC C 1 27.738 18.284 19.845 1.00 0.00 H new ATOM 0 HO5' DC C 1 34.165 18.091 18.848 1.00 0.00 H new ATOM 0 H1' DC C 1 28.861 16.375 19.027 1.00 0.00 H new ATOM 0 H41 DC C 1 27.384 13.082 24.601 1.00 0.00 H new ATOM 0 H42 DC C 1 26.852 12.218 23.154 1.00 0.00 H new ATOM 0 H5 DC C 1 28.457 15.361 24.376 1.00 0.00 H new ATOM 0 H6 DC C 1 29.622 16.756 22.667 1.00 0.00 H new ATOM 273 P DG C 2 28.590 21.140 18.770 1.00 0.00 P ATOM 274 OP1 DG C 2 28.990 21.790 17.500 1.00 0.00 O ATOM 275 OP2 DG C 2 28.960 21.760 20.070 1.00 0.00 O ATOM 276 O5' DG C 2 27.050 20.730 18.870 1.00 0.00 O ATOM 277 C5' DG C 2 26.230 20.390 17.740 1.00 0.00 C ATOM 278 C4' DG C 2 24.850 19.980 18.240 1.00 0.00 C ATOM 279 O4' DG C 2 24.820 18.730 18.970 1.00 0.00 O ATOM 280 C3' DG C 2 24.300 21.080 19.140 1.00 0.00 C ATOM 281 O3' DG C 2 23.290 21.870 18.460 1.00 0.00 O ATOM 282 C2' DG C 2 23.880 20.350 20.400 1.00 0.00 C ATOM 283 C1' DG C 2 23.780 18.900 19.940 1.00 0.00 C ATOM 284 N9 DG C 2 24.020 17.920 21.030 1.00 0.00 N ATOM 285 C8 DG C 2 25.110 17.840 21.800 1.00 0.00 C ATOM 286 N7 DG C 2 24.990 16.830 22.660 1.00 0.00 N ATOM 287 C5 DG C 2 23.800 16.240 22.450 1.00 0.00 C ATOM 288 C6 DG C 2 23.120 15.140 22.980 1.00 0.00 C ATOM 289 O6 DG C 2 23.400 14.630 24.060 1.00 0.00 O ATOM 290 N1 DG C 2 21.900 14.760 22.410 1.00 0.00 N ATOM 291 C2 DG C 2 21.360 15.480 21.360 1.00 0.00 C ATOM 292 N2 DG C 2 20.090 15.460 21.080 1.00 0.00 N ATOM 293 N3 DG C 2 22.010 16.550 20.890 1.00 0.00 N ATOM 294 C4 DG C 2 23.200 16.940 21.400 1.00 0.00 C ATOM 0 H5' DG C 2 26.684 19.576 17.176 1.00 0.00 H new ATOM 0 H5'' DG C 2 26.149 21.240 17.063 1.00 0.00 H new ATOM 0 H4' DG C 2 24.241 19.832 17.348 1.00 0.00 H new ATOM 0 H3' DG C 2 25.019 21.854 19.407 1.00 0.00 H new ATOM 0 H2' DG C 2 24.612 20.470 21.199 1.00 0.00 H new ATOM 0 H2'' DG C 2 22.928 20.719 20.782 1.00 0.00 H new ATOM 0 H1' DG C 2 22.774 18.718 19.562 1.00 0.00 H new ATOM 0 H8 DG C 2 25.964 18.498 21.734 1.00 0.00 H new ATOM 0 H1 DG C 2 21.405 13.945 22.772 1.00 0.00 H new ATOM 0 H21 DG C 2 19.732 16.006 20.296 1.00 0.00 H new ATOM 0 H22 DG C 2 19.452 14.898 21.644 1.00 0.00 H new ATOM 298 P DC C 3 22.460 23.100 19.110 1.00 0.00 P ATOM 299 OP1 DC C 3 21.830 23.940 18.060 1.00 0.00 O ATOM 300 OP2 DC C 3 23.220 23.800 20.160 1.00 0.00 O ATOM 301 O5' DC C 3 21.290 22.350 19.920 1.00 0.00 O ATOM 302 C5' DC C 3 20.300 21.520 19.290 1.00 0.00 C ATOM 303 C4' DC C 3 19.570 20.630 20.280 1.00 0.00 C ATOM 304 O4' DC C 3 20.380 19.640 20.960 1.00 0.00 O ATOM 305 C3' DC C 3 18.850 21.440 21.320 1.00 0.00 C ATOM 306 O3' DC C 3 17.440 21.410 21.060 1.00 0.00 O ATOM 307 C2' DC C 3 19.310 20.840 22.640 1.00 0.00 C ATOM 308 C1' DC C 3 19.730 19.430 22.230 1.00 0.00 C ATOM 309 N1 DC C 3 20.670 18.760 23.150 1.00 0.00 N ATOM 310 C2 DC C 3 20.300 17.590 23.840 1.00 0.00 C ATOM 311 O2 DC C 3 19.140 17.180 23.850 1.00 0.00 O ATOM 312 N3 DC C 3 21.140 17.090 24.780 1.00 0.00 N ATOM 313 C4 DC C 3 22.270 17.730 25.110 1.00 0.00 C ATOM 314 N4 DC C 3 23.070 17.160 25.980 1.00 0.00 N ATOM 315 C5 DC C 3 22.690 18.890 24.460 1.00 0.00 C ATOM 316 C6 DC C 3 21.890 19.400 23.450 1.00 0.00 C ATOM 0 H5' DC C 3 20.780 20.899 18.534 1.00 0.00 H new ATOM 0 H5'' DC C 3 19.577 22.151 18.773 1.00 0.00 H new ATOM 0 H4' DC C 3 18.873 20.081 19.647 1.00 0.00 H new ATOM 0 H3' DC C 3 19.075 22.506 21.327 1.00 0.00 H new ATOM 0 H2' DC C 3 20.138 21.400 23.074 1.00 0.00 H new ATOM 0 H2'' DC C 3 18.511 20.827 23.381 1.00 0.00 H new ATOM 0 H1' DC C 3 18.861 18.772 22.218 1.00 0.00 H new ATOM 0 H41 DC C 3 23.938 17.621 26.253 1.00 0.00 H new ATOM 0 H42 DC C 3 22.824 16.256 26.383 1.00 0.00 H new ATOM 0 H5 DC C 3 23.613 19.377 24.736 1.00 0.00 H new ATOM 0 H6 DC C 3 22.197 20.277 22.899 1.00 0.00 H new ATOM 319 P DT C 4 16.390 22.240 21.940 1.00 0.00 P ATOM 320 OP1 DT C 4 15.330 22.670 21.000 1.00 0.00 O ATOM 321 OP2 DT C 4 17.130 23.300 22.650 1.00 0.00 O ATOM 322 O5' DT C 4 15.920 21.110 22.960 1.00 0.00 O ATOM 323 C5' DT C 4 15.210 19.950 22.490 1.00 0.00 C ATOM 324 C4' DT C 4 14.910 18.940 23.590 1.00 0.00 C ATOM 325 O4' DT C 4 16.100 18.580 24.310 1.00 0.00 O ATOM 326 C3' DT C 4 13.940 19.420 24.650 1.00 0.00 C ATOM 327 O3' DT C 4 12.880 18.440 24.650 1.00 0.00 O ATOM 328 C2' DT C 4 14.720 19.600 25.910 1.00 0.00 C ATOM 329 C1' DT C 4 15.700 18.460 25.690 1.00 0.00 C ATOM 330 N1 DT C 4 16.980 18.620 26.400 1.00 0.00 N ATOM 331 C2 DT C 4 17.640 17.540 27.010 1.00 0.00 C ATOM 332 O2 DT C 4 17.080 16.470 27.260 1.00 0.00 O ATOM 333 N3 DT C 4 18.940 17.730 27.480 1.00 0.00 N ATOM 334 C4 DT C 4 19.580 18.960 27.330 1.00 0.00 C ATOM 335 O4 DT C 4 20.640 19.100 27.950 1.00 0.00 O ATOM 336 C5 DT C 4 18.940 20.040 26.720 1.00 0.00 C ATOM 337 C7 DT C 4 19.610 21.390 26.510 1.00 0.00 C ATOM 338 C6 DT C 4 17.620 19.860 26.280 1.00 0.00 C ATOM 0 H5' DT C 4 15.797 19.464 21.711 1.00 0.00 H new ATOM 0 H5'' DT C 4 14.273 20.267 22.032 1.00 0.00 H new ATOM 0 H4' DT C 4 14.470 18.106 23.043 1.00 0.00 H new ATOM 0 H3' DT C 4 13.466 20.388 24.490 1.00 0.00 H new ATOM 0 H2' DT C 4 15.204 20.574 25.980 1.00 0.00 H new ATOM 0 H2'' DT C 4 14.116 19.479 26.809 1.00 0.00 H new ATOM 0 H1' DT C 4 15.211 17.541 26.012 1.00 0.00 H new ATOM 0 H3 DT C 4 19.428 16.960 27.939 1.00 0.00 H new ATOM 0 H71 DT C 4 20.339 21.561 27.302 1.00 0.00 H new ATOM 0 H72 DT C 4 20.114 21.399 25.544 1.00 0.00 H new ATOM 0 H73 DT C 4 18.857 22.178 26.534 1.00 0.00 H new ATOM 0 H6 DT C 4 17.088 20.692 25.841 1.00 0.00 H new ATOM 340 P DC C 5 11.390 18.780 25.110 1.00 0.00 P ATOM 341 OP1 DC C 5 10.500 17.910 24.310 1.00 0.00 O ATOM 342 OP2 DC C 5 11.150 20.240 25.020 1.00 0.00 O ATOM 343 O5' DC C 5 11.450 18.330 26.650 1.00 0.00 O ATOM 344 C5' DC C 5 11.530 16.940 27.010 1.00 0.00 C ATOM 345 C4' DC C 5 12.200 16.730 28.370 1.00 0.00 C ATOM 346 O4' DC C 5 13.580 17.100 28.380 1.00 0.00 O ATOM 347 C3' DC C 5 11.540 17.480 29.520 1.00 0.00 C ATOM 348 O3' DC C 5 10.530 16.640 30.140 1.00 0.00 O ATOM 349 C2' DC C 5 12.680 17.700 30.470 1.00 0.00 C ATOM 350 C1' DC C 5 13.900 17.110 29.780 1.00 0.00 C ATOM 351 N1 DC C 5 15.070 17.970 29.990 1.00 0.00 N ATOM 352 C2 DC C 5 16.200 17.470 30.670 1.00 0.00 C ATOM 353 O2 DC C 5 16.090 16.630 31.550 1.00 0.00 O ATOM 354 N3 DC C 5 17.310 18.220 30.700 1.00 0.00 N ATOM 355 C4 DC C 5 17.320 19.450 30.160 1.00 0.00 C ATOM 356 N4 DC C 5 18.490 20.040 30.250 1.00 0.00 N ATOM 357 C5 DC C 5 16.220 20.050 29.560 1.00 0.00 C ATOM 358 C6 DC C 5 15.070 19.270 29.430 1.00 0.00 C ATOM 0 H5' DC C 5 12.088 16.400 26.245 1.00 0.00 H new ATOM 0 H5'' DC C 5 10.527 16.514 27.032 1.00 0.00 H new ATOM 0 H4' DC C 5 12.085 15.657 28.523 1.00 0.00 H new ATOM 0 H3' DC C 5 11.044 18.401 29.216 1.00 0.00 H new ATOM 0 H2' DC C 5 12.820 18.761 30.677 1.00 0.00 H new ATOM 0 H2'' DC C 5 12.495 17.211 31.426 1.00 0.00 H new ATOM 0 H1' DC C 5 14.133 16.118 30.168 1.00 0.00 H new ATOM 0 H41 DC C 5 18.618 20.979 29.874 1.00 0.00 H new ATOM 0 H42 DC C 5 19.271 19.559 30.696 1.00 0.00 H new ATOM 0 H5 DC C 5 16.253 21.071 29.211 1.00 0.00 H new ATOM 0 H6 DC C 5 14.200 19.649 28.914 1.00 0.00 H new ATOM 361 P DA C 6 9.400 17.170 31.160 1.00 0.00 P ATOM 362 OP1 DA C 6 8.370 16.100 31.200 1.00 0.00 O ATOM 363 OP2 DA C 6 8.980 18.530 30.770 1.00 0.00 O ATOM 364 O5' DA C 6 10.120 17.210 32.590 1.00 0.00 O ATOM 365 C5' DA C 6 10.380 15.930 33.190 1.00 0.00 C ATOM 366 C4' DA C 6 11.470 15.890 34.240 1.00 0.00 C ATOM 367 O4' DA C 6 12.650 16.580 33.790 1.00 0.00 O ATOM 368 C3' DA C 6 11.030 16.660 35.470 1.00 0.00 C ATOM 369 O3' DA C 6 11.220 15.800 36.620 1.00 0.00 O ATOM 370 C2' DA C 6 11.780 17.950 35.430 1.00 0.00 C ATOM 371 C1' DA C 6 13.080 17.340 34.940 1.00 0.00 C ATOM 372 N9 DA C 6 14.050 18.370 34.560 1.00 0.00 N ATOM 373 C8 DA C 6 13.800 19.240 33.600 1.00 0.00 C ATOM 374 N7 DA C 6 14.930 19.770 33.120 1.00 0.00 N ATOM 375 C5 DA C 6 15.900 19.300 33.900 1.00 0.00 C ATOM 376 C6 DA C 6 17.230 19.670 34.120 1.00 0.00 C ATOM 377 N6 DA C 6 17.980 20.160 33.160 1.00 0.00 N ATOM 378 N1 DA C 6 17.910 19.260 35.200 1.00 0.00 N ATOM 379 C2 DA C 6 17.360 18.410 36.070 1.00 0.00 C ATOM 380 N3 DA C 6 16.100 18.000 35.880 1.00 0.00 N ATOM 381 C4 DA C 6 15.350 18.420 34.830 1.00 0.00 C ATOM 0 H5' DA C 6 10.642 15.228 32.398 1.00 0.00 H new ATOM 0 H5'' DA C 6 9.456 15.570 33.642 1.00 0.00 H new ATOM 0 H4' DA C 6 11.667 14.837 34.443 1.00 0.00 H new ATOM 0 H3' DA C 6 9.975 16.931 35.520 1.00 0.00 H new ATOM 0 H2' DA C 6 11.354 18.682 34.743 1.00 0.00 H new ATOM 0 H2'' DA C 6 11.865 18.437 36.402 1.00 0.00 H new ATOM 0 H1' DA C 6 13.588 16.742 35.697 1.00 0.00 H new ATOM 0 H8 DA C 6 12.811 19.492 33.247 1.00 0.00 H new ATOM 0 H61 DA C 6 18.947 20.421 33.351 1.00 0.00 H new ATOM 0 H62 DA C 6 17.595 20.280 32.223 1.00 0.00 H new ATOM 0 H2 DA C 6 17.926 18.056 36.919 1.00 0.00 H new ATOM 384 P DC C 7 10.910 16.270 38.120 1.00 0.00 P ATOM 385 OP1 DC C 7 10.370 15.100 38.830 1.00 0.00 O ATOM 386 OP2 DC C 7 10.110 17.530 38.140 1.00 0.00 O ATOM 387 O5' DC C 7 12.390 16.590 38.640 1.00 0.00 O ATOM 388 C5' DC C 7 13.430 15.590 38.730 1.00 0.00 C ATOM 389 C4' DC C 7 14.710 16.090 39.400 1.00 0.00 C ATOM 390 O4' DC C 7 15.320 17.220 38.740 1.00 0.00 O ATOM 391 C3' DC C 7 14.330 16.540 40.780 1.00 0.00 C ATOM 392 O3' DC C 7 15.200 15.970 41.760 1.00 0.00 O ATOM 393 C2' DC C 7 14.230 18.050 40.660 1.00 0.00 C ATOM 394 C1' DC C 7 15.380 18.310 39.700 1.00 0.00 C ATOM 395 N1 DC C 7 15.290 19.540 38.870 1.00 0.00 N ATOM 396 C2 DC C 7 16.460 20.280 38.590 1.00 0.00 C ATOM 397 O2 DC C 7 17.520 20.080 39.180 1.00 0.00 O ATOM 398 N3 DC C 7 16.440 21.240 37.640 1.00 0.00 N ATOM 399 C4 DC C 7 15.300 21.530 36.980 1.00 0.00 C ATOM 400 N4 DC C 7 15.430 22.440 36.040 1.00 0.00 N ATOM 401 C5 DC C 7 14.090 20.860 37.210 1.00 0.00 C ATOM 402 C6 DC C 7 14.100 19.850 38.180 1.00 0.00 C ATOM 0 H5' DC C 7 13.670 15.237 37.727 1.00 0.00 H new ATOM 0 H5'' DC C 7 13.050 14.733 39.287 1.00 0.00 H new ATOM 0 H4' DC C 7 15.432 15.274 39.374 1.00 0.00 H new ATOM 0 H3' DC C 7 13.371 16.184 41.157 1.00 0.00 H new ATOM 0 H2' DC C 7 13.270 18.374 40.259 1.00 0.00 H new ATOM 0 H2'' DC C 7 14.363 18.555 41.617 1.00 0.00 H new ATOM 0 H1' DC C 7 16.276 18.408 40.313 1.00 0.00 H new ATOM 0 H41 DC C 7 14.620 22.723 35.488 1.00 0.00 H new ATOM 0 H42 DC C 7 16.341 22.863 35.862 1.00 0.00 H new ATOM 0 H5 DC C 7 13.192 21.111 36.665 1.00 0.00 H new ATOM 0 H6 DC C 7 13.193 19.307 38.400 1.00 0.00 H new ATOM 405 P DA C 8 14.710 15.840 43.280 1.00 0.00 P ATOM 406 OP1 DA C 8 14.800 14.410 43.660 1.00 0.00 O ATOM 407 OP2 DA C 8 13.420 16.550 43.430 1.00 0.00 O ATOM 408 O5' DA C 8 15.830 16.650 44.070 1.00 0.00 O ATOM 409 C5' DA C 8 17.200 16.260 43.870 1.00 0.00 C ATOM 410 C4' DA C 8 18.150 17.450 43.910 1.00 0.00 C ATOM 411 O4' DA C 8 17.720 18.440 42.970 1.00 0.00 O ATOM 412 C3' DA C 8 18.090 18.090 45.280 1.00 0.00 C ATOM 413 O3' DA C 8 19.410 18.330 45.850 1.00 0.00 O ATOM 414 C2' DA C 8 17.350 19.380 45.030 1.00 0.00 C ATOM 415 C1' DA C 8 17.960 19.680 43.670 1.00 0.00 C ATOM 416 N9 DA C 8 17.250 20.680 42.850 1.00 0.00 N ATOM 417 C8 DA C 8 15.930 20.730 42.800 1.00 0.00 C ATOM 418 N7 DA C 8 15.510 21.640 41.920 1.00 0.00 N ATOM 419 C5 DA C 8 16.620 22.190 41.410 1.00 0.00 C ATOM 420 C6 DA C 8 16.870 23.060 40.340 1.00 0.00 C ATOM 421 N6 DA C 8 15.910 23.710 39.710 1.00 0.00 N ATOM 422 N1 DA C 8 18.120 23.270 39.890 1.00 0.00 N ATOM 423 C2 DA C 8 19.160 22.650 40.460 1.00 0.00 C ATOM 424 N3 DA C 8 18.970 21.830 41.490 1.00 0.00 N ATOM 425 C4 DA C 8 17.730 21.570 41.980 1.00 0.00 C ATOM 0 H5' DA C 8 17.295 15.754 42.909 1.00 0.00 H new ATOM 0 H5'' DA C 8 17.487 15.542 44.638 1.00 0.00 H new ATOM 0 H4' DA C 8 19.156 17.102 43.678 1.00 0.00 H new ATOM 0 H3' DA C 8 17.601 17.447 46.012 1.00 0.00 H new ATOM 0 H2' DA C 8 16.268 19.256 44.998 1.00 0.00 H new ATOM 0 H2'' DA C 8 17.561 20.148 45.775 1.00 0.00 H new ATOM 0 H1' DA C 8 18.977 20.047 43.812 1.00 0.00 H new ATOM 0 H8 DA C 8 15.275 20.112 43.396 1.00 0.00 H new ATOM 0 H61 DA C 8 16.139 24.333 38.936 1.00 0.00 H new ATOM 0 H62 DA C 8 14.939 23.589 39.997 1.00 0.00 H new ATOM 0 H2 DA C 8 20.158 22.816 40.082 1.00 0.00 H new ATOM 428 P DA C 9 20.360 17.180 46.460 1.00 0.00 P ATOM 429 OP1 DA C 9 20.670 16.150 45.440 1.00 0.00 O ATOM 430 OP2 DA C 9 19.790 16.750 47.760 1.00 0.00 O ATOM 431 O5' DA C 9 21.720 17.920 46.880 1.00 0.00 O ATOM 432 C5' DA C 9 22.600 18.420 45.860 1.00 0.00 C ATOM 433 C4' DA C 9 22.560 19.940 45.740 1.00 0.00 C ATOM 434 O4' DA C 9 21.390 20.640 45.260 1.00 0.00 O ATOM 435 C3' DA C 9 22.970 20.600 47.040 1.00 0.00 C ATOM 436 O3' DA C 9 24.390 20.790 46.990 1.00 0.00 O ATOM 437 C2' DA C 9 22.150 21.850 47.110 1.00 0.00 C ATOM 438 C1' DA C 9 21.630 22.000 45.680 1.00 0.00 C ATOM 439 N9 DA C 9 20.350 22.740 45.660 1.00 0.00 N ATOM 440 C8 DA C 9 19.280 22.400 46.360 1.00 0.00 C ATOM 441 N7 DA C 9 18.180 22.970 45.850 1.00 0.00 N ATOM 442 C5 DA C 9 18.570 23.670 44.790 1.00 0.00 C ATOM 443 C6 DA C 9 17.970 24.430 43.780 1.00 0.00 C ATOM 444 N6 DA C 9 16.670 24.580 43.650 1.00 0.00 N ATOM 445 N1 DA C 9 18.680 25.030 42.800 1.00 0.00 N ATOM 446 C2 DA C 9 20.010 24.930 42.790 1.00 0.00 C ATOM 447 N3 DA C 9 20.640 24.210 43.720 1.00 0.00 N ATOM 448 C4 DA C 9 19.960 23.570 44.700 1.00 0.00 C ATOM 0 H5' DA C 9 22.328 17.977 44.902 1.00 0.00 H new ATOM 0 H5'' DA C 9 23.620 18.104 46.079 1.00 0.00 H new ATOM 0 H4' DA C 9 23.261 20.045 44.912 1.00 0.00 H new ATOM 0 H3' DA C 9 22.785 20.028 47.950 1.00 0.00 H new ATOM 0 H2' DA C 9 21.335 21.759 47.828 1.00 0.00 H new ATOM 0 H2'' DA C 9 22.748 22.709 47.414 1.00 0.00 H new ATOM 0 H1' DA C 9 22.328 22.544 45.044 1.00 0.00 H new ATOM 0 H8 DA C 9 19.292 21.752 47.224 1.00 0.00 H new ATOM 0 H61 DA C 9 16.296 25.148 42.890 1.00 0.00 H new ATOM 0 H62 DA C 9 16.036 24.128 44.309 1.00 0.00 H new ATOM 0 H2 DA C 9 20.580 25.435 42.024 1.00 0.00 H new ATOM 451 P DT C 10 25.260 21.500 48.140 1.00 0.00 P ATOM 452 OP1 DT C 10 26.600 20.870 48.060 1.00 0.00 O ATOM 453 OP2 DT C 10 24.530 21.440 49.430 1.00 0.00 O ATOM 454 O5' DT C 10 25.350 23.040 47.690 1.00 0.00 O ATOM 455 C5' DT C 10 25.880 23.400 46.400 1.00 0.00 C ATOM 456 C4' DT C 10 25.410 24.710 45.790 1.00 0.00 C ATOM 457 O4' DT C 10 23.980 24.760 45.630 1.00 0.00 O ATOM 458 C3' DT C 10 25.810 25.930 46.610 1.00 0.00 C ATOM 459 O3' DT C 10 26.740 26.780 45.900 1.00 0.00 O ATOM 460 C2' DT C 10 24.510 26.650 46.890 1.00 0.00 C ATOM 461 C1' DT C 10 23.640 26.140 45.770 1.00 0.00 C ATOM 462 N1 DT C 10 22.190 26.230 46.090 1.00 0.00 N ATOM 463 C2 DT C 10 21.300 27.000 45.310 1.00 0.00 C ATOM 464 O2 DT C 10 21.610 27.350 44.180 1.00 0.00 O ATOM 465 N3 DT C 10 19.940 27.040 45.660 1.00 0.00 N ATOM 466 C4 DT C 10 19.460 26.270 46.720 1.00 0.00 C ATOM 467 O4 DT C 10 18.260 25.990 46.660 1.00 0.00 O ATOM 468 C5 DT C 10 20.340 25.540 47.520 1.00 0.00 C ATOM 469 C7 DT C 10 19.930 24.920 48.860 1.00 0.00 C ATOM 470 C6 DT C 10 21.690 25.510 47.200 1.00 0.00 C ATOM 0 H5' DT C 10 25.640 22.598 45.702 1.00 0.00 H new ATOM 0 H5'' DT C 10 26.966 23.437 46.481 1.00 0.00 H new ATOM 0 H4' DT C 10 25.904 24.741 44.819 1.00 0.00 H new ATOM 0 H3' DT C 10 26.329 25.645 47.525 1.00 0.00 H new ATOM 0 H2' DT C 10 24.105 26.400 47.871 1.00 0.00 H new ATOM 0 H2'' DT C 10 24.626 27.733 46.859 1.00 0.00 H new ATOM 0 H1' DT C 10 23.807 26.733 44.871 1.00 0.00 H new ATOM 0 H3 DT C 10 19.299 27.636 45.136 1.00 0.00 H new ATOM 0 H71 DT C 10 20.518 24.020 49.039 1.00 0.00 H new ATOM 0 H72 DT C 10 20.109 25.636 49.662 1.00 0.00 H new ATOM 0 H73 DT C 10 18.871 24.662 48.833 1.00 0.00 H new ATOM 0 H6 DT C 10 22.368 24.929 47.807 1.00 0.00 H new ATOM 472 P DT C 11 27.460 28.020 46.650 1.00 0.00 P ATOM 473 OP1 DT C 11 28.720 28.370 45.940 1.00 0.00 O ATOM 474 OP2 DT C 11 27.610 27.680 48.080 1.00 0.00 O ATOM 475 O5' DT C 11 26.350 29.190 46.650 1.00 0.00 O ATOM 476 C5' DT C 11 25.900 29.910 45.480 1.00 0.00 C ATOM 477 C4' DT C 11 24.540 30.590 45.670 1.00 0.00 C ATOM 478 O4' DT C 11 23.540 29.650 46.090 1.00 0.00 O ATOM 479 C3' DT C 11 24.460 31.700 46.710 1.00 0.00 C ATOM 480 O3' DT C 11 24.740 33.020 46.220 1.00 0.00 O ATOM 481 C2' DT C 11 22.990 31.740 47.080 1.00 0.00 C ATOM 482 C1' DT C 11 22.430 30.480 46.430 1.00 0.00 C ATOM 483 N1 DT C 11 21.560 29.760 47.390 1.00 0.00 N ATOM 484 C2 DT C 11 20.170 29.920 47.310 1.00 0.00 C ATOM 485 O2 DT C 11 19.620 29.940 46.210 1.00 0.00 O ATOM 486 N3 DT C 11 19.380 29.510 48.380 1.00 0.00 N ATOM 487 C4 DT C 11 19.940 28.820 49.460 1.00 0.00 C ATOM 488 O4 DT C 11 19.170 28.020 49.990 1.00 0.00 O ATOM 489 C5 DT C 11 21.320 28.650 49.550 1.00 0.00 C ATOM 490 C7 DT C 11 21.990 28.060 50.790 1.00 0.00 C ATOM 491 C6 DT C 11 22.120 29.110 48.510 1.00 0.00 C ATOM 0 H5' DT C 11 25.838 29.219 44.639 1.00 0.00 H new ATOM 0 H5'' DT C 11 26.642 30.665 45.219 1.00 0.00 H new ATOM 0 H4' DT C 11 24.379 31.020 44.681 1.00 0.00 H new ATOM 0 H3' DT C 11 25.185 31.482 47.494 1.00 0.00 H new ATOM 0 H2' DT C 11 22.847 31.733 48.161 1.00 0.00 H new ATOM 0 H2'' DT C 11 22.504 32.639 46.700 1.00 0.00 H new ATOM 0 HO3' DT C 11 24.663 33.665 46.954 1.00 0.00 H new ATOM 0 H1' DT C 11 21.841 30.734 45.548 1.00 0.00 H new ATOM 0 H3 DT C 11 18.381 29.715 48.376 1.00 0.00 H new ATOM 0 H71 DT C 11 22.900 27.537 50.498 1.00 0.00 H new ATOM 0 H72 DT C 11 22.239 28.862 51.485 1.00 0.00 H new ATOM 0 H73 DT C 11 21.309 27.360 51.273 1.00 0.00 H new ATOM 0 H6 DT C 11 23.189 28.967 48.560 1.00 0.00 H new TER 494 DT C 11 ATOM 495 N MET A 1 27.960 27.500 6.070 1.00 0.00 N ATOM 496 CA MET A 1 27.910 28.670 6.970 1.00 0.00 C ATOM 497 C MET A 1 28.300 28.280 8.410 1.00 0.00 C ATOM 498 O MET A 1 28.040 27.180 8.890 1.00 0.00 O ATOM 499 CB MET A 1 26.500 29.280 6.980 1.00 0.00 C ATOM 500 CG MET A 1 26.140 29.930 5.650 1.00 0.00 C ATOM 501 SD MET A 1 26.900 31.580 5.430 1.00 0.00 S ATOM 502 CE MET A 1 26.360 31.940 3.770 1.00 0.00 C ATOM 0 H1 MET A 1 28.031 27.823 5.084 1.00 0.00 H new ATOM 0 H2 MET A 1 28.789 26.917 6.304 1.00 0.00 H new ATOM 0 H3 MET A 1 27.095 26.935 6.187 1.00 0.00 H new ATOM 0 HA MET A 1 28.624 29.403 6.595 1.00 0.00 H new ATOM 0 HB2 MET A 1 25.772 28.502 7.210 1.00 0.00 H new ATOM 0 HB3 MET A 1 26.434 30.023 7.774 1.00 0.00 H new ATOM 0 HG2 MET A 1 26.458 29.279 4.836 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.056 30.023 5.579 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.736 32.918 3.469 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.743 31.179 3.090 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.271 31.943 3.734 1.00 0.00 H new ATOM 506 N LYS A 2 28.880 29.280 9.060 1.00 0.00 N ATOM 507 CA LYS A 2 29.320 29.300 10.470 1.00 0.00 C ATOM 508 C LYS A 2 28.280 28.560 11.340 1.00 0.00 C ATOM 509 O LYS A 2 27.140 29.030 11.440 1.00 0.00 O ATOM 510 CB LYS A 2 29.500 30.750 10.940 1.00 0.00 C ATOM 511 CG LYS A 2 29.910 30.840 12.410 1.00 0.00 C ATOM 512 CD LYS A 2 30.340 32.240 12.840 1.00 0.00 C ATOM 513 CE LYS A 2 31.460 32.180 13.890 1.00 0.00 C ATOM 514 NZ LYS A 2 31.090 31.610 15.200 1.00 0.00 N ATOM 0 H LYS A 2 29.074 30.166 8.593 1.00 0.00 H new ATOM 0 HA LYS A 2 30.280 28.792 10.566 1.00 0.00 H new ATOM 0 HB2 LYS A 2 30.256 31.237 10.324 1.00 0.00 H new ATOM 0 HB3 LYS A 2 28.568 31.295 10.792 1.00 0.00 H new ATOM 0 HG2 LYS A 2 29.074 30.519 13.032 1.00 0.00 H new ATOM 0 HG3 LYS A 2 30.729 30.145 12.593 1.00 0.00 H new ATOM 0 HD2 LYS A 2 30.683 32.801 11.971 1.00 0.00 H new ATOM 0 HD3 LYS A 2 29.484 32.777 13.248 1.00 0.00 H new ATOM 0 HE2 LYS A 2 32.283 31.594 13.481 1.00 0.00 H new ATOM 0 HE3 LYS A 2 31.836 33.191 14.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 31.918 31.618 15.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 30.329 32.178 15.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 30.762 30.631 15.073 1.00 0.00 H new ATOM 519 N PRO A 3 28.630 27.380 11.860 1.00 0.00 N ATOM 520 CA PRO A 3 27.650 26.540 12.560 1.00 0.00 C ATOM 521 C PRO A 3 27.460 27.020 14.000 1.00 0.00 C ATOM 522 O PRO A 3 28.120 26.570 14.930 1.00 0.00 O ATOM 523 CB PRO A 3 28.160 25.110 12.370 1.00 0.00 C ATOM 524 CG PRO A 3 29.670 25.240 12.200 1.00 0.00 C ATOM 525 CD PRO A 3 29.900 26.650 11.650 1.00 0.00 C ATOM 0 HA PRO A 3 26.635 26.596 12.166 1.00 0.00 H new ATOM 0 HB2 PRO A 3 27.913 24.487 13.230 1.00 0.00 H new ATOM 0 HB3 PRO A 3 27.705 24.643 11.497 1.00 0.00 H new ATOM 0 HG2 PRO A 3 30.185 25.101 13.150 1.00 0.00 H new ATOM 0 HG3 PRO A 3 30.054 24.484 11.515 1.00 0.00 H new ATOM 0 HD2 PRO A 3 30.723 27.142 12.168 1.00 0.00 H new ATOM 0 HD3 PRO A 3 30.162 26.619 10.592 1.00 0.00 H new ATOM 526 N VAL A 4 26.560 27.990 14.090 1.00 0.00 N ATOM 527 CA VAL A 4 26.220 28.700 15.340 1.00 0.00 C ATOM 528 C VAL A 4 25.270 27.810 16.160 1.00 0.00 C ATOM 529 O VAL A 4 24.060 27.820 15.940 1.00 0.00 O ATOM 530 CB VAL A 4 25.540 30.060 15.050 1.00 0.00 C ATOM 531 CG1 VAL A 4 25.300 30.850 16.350 1.00 0.00 C ATOM 532 CG2 VAL A 4 26.340 30.940 14.090 1.00 0.00 C ATOM 0 H VAL A 4 26.028 28.321 13.285 1.00 0.00 H new ATOM 0 HA VAL A 4 27.137 28.900 15.895 1.00 0.00 H new ATOM 0 HB VAL A 4 24.590 29.813 14.575 1.00 0.00 H new ATOM 0 HG11 VAL A 4 24.821 31.801 16.115 1.00 0.00 H new ATOM 0 HG12 VAL A 4 24.655 30.273 17.013 1.00 0.00 H new ATOM 0 HG13 VAL A 4 26.254 31.036 16.844 1.00 0.00 H new ATOM 0 HG21 VAL A 4 25.809 31.878 13.928 1.00 0.00 H new ATOM 0 HG22 VAL A 4 27.321 31.147 14.518 1.00 0.00 H new ATOM 0 HG23 VAL A 4 26.461 30.423 13.138 1.00 0.00 H new ATOM 534 N THR A 5 25.870 27.230 17.190 1.00 0.00 N ATOM 535 CA THR A 5 25.170 26.410 18.210 1.00 0.00 C ATOM 536 C THR A 5 24.430 27.300 19.210 1.00 0.00 C ATOM 537 O THR A 5 24.770 28.470 19.370 1.00 0.00 O ATOM 538 CB THR A 5 26.120 25.530 19.050 1.00 0.00 C ATOM 539 OG1 THR A 5 27.230 26.240 19.620 1.00 0.00 O ATOM 540 CG2 THR A 5 26.530 24.250 18.320 1.00 0.00 C ATOM 0 H THR A 5 26.873 27.308 17.357 1.00 0.00 H new ATOM 0 HA THR A 5 24.493 25.777 17.637 1.00 0.00 H new ATOM 0 HB THR A 5 25.532 25.215 19.912 1.00 0.00 H new ATOM 0 HG1 THR A 5 27.504 26.959 19.014 1.00 0.00 H new ATOM 0 HG21 THR A 5 27.198 23.667 18.954 1.00 0.00 H new ATOM 0 HG22 THR A 5 25.642 23.661 18.091 1.00 0.00 H new ATOM 0 HG23 THR A 5 27.043 24.508 17.393 1.00 0.00 H new ATOM 543 N LEU A 6 23.560 26.690 20.020 1.00 0.00 N ATOM 544 CA LEU A 6 23.050 27.360 21.240 1.00 0.00 C ATOM 545 C LEU A 6 24.160 27.970 22.110 1.00 0.00 C ATOM 546 O LEU A 6 24.040 29.130 22.510 1.00 0.00 O ATOM 547 CB LEU A 6 22.240 26.420 22.130 1.00 0.00 C ATOM 548 CG LEU A 6 20.920 25.970 21.480 1.00 0.00 C ATOM 549 CD1 LEU A 6 20.340 24.850 22.340 1.00 0.00 C ATOM 550 CD2 LEU A 6 19.910 27.100 21.290 1.00 0.00 C ATOM 0 H LEU A 6 23.194 25.751 19.866 1.00 0.00 H new ATOM 0 HA LEU A 6 22.414 28.156 20.853 1.00 0.00 H new ATOM 0 HB2 LEU A 6 22.841 25.542 22.365 1.00 0.00 H new ATOM 0 HB3 LEU A 6 22.023 26.919 23.074 1.00 0.00 H new ATOM 0 HG LEU A 6 21.135 25.620 20.470 1.00 0.00 H new ATOM 0 HD11 LEU A 6 19.401 24.507 21.906 1.00 0.00 H new ATOM 0 HD12 LEU A 6 21.045 24.020 22.381 1.00 0.00 H new ATOM 0 HD13 LEU A 6 20.159 25.222 23.348 1.00 0.00 H new ATOM 0 HD21 LEU A 6 19.006 26.706 20.827 1.00 0.00 H new ATOM 0 HD22 LEU A 6 19.662 27.533 22.259 1.00 0.00 H new ATOM 0 HD23 LEU A 6 20.341 27.869 20.648 1.00 0.00 H new ATOM 552 N TYR A 7 25.260 27.230 22.280 1.00 0.00 N ATOM 553 CA TYR A 7 26.380 27.660 23.160 1.00 0.00 C ATOM 554 C TYR A 7 26.920 29.050 22.800 1.00 0.00 C ATOM 555 O TYR A 7 26.920 29.930 23.660 1.00 0.00 O ATOM 556 CB TYR A 7 27.560 26.680 23.180 1.00 0.00 C ATOM 557 CG TYR A 7 27.260 25.290 23.760 1.00 0.00 C ATOM 558 CD1 TYR A 7 26.860 24.290 22.850 1.00 0.00 C ATOM 559 CD2 TYR A 7 27.750 24.960 25.050 1.00 0.00 C ATOM 560 CE1 TYR A 7 26.990 22.940 23.200 1.00 0.00 C ATOM 561 CE2 TYR A 7 27.890 23.600 25.410 1.00 0.00 C ATOM 562 CZ TYR A 7 27.520 22.610 24.470 1.00 0.00 C ATOM 563 OH TYR A 7 27.760 21.300 24.760 1.00 0.00 O ATOM 0 H TYR A 7 25.410 26.329 21.825 1.00 0.00 H new ATOM 0 HA TYR A 7 25.930 27.687 24.153 1.00 0.00 H new ATOM 0 HB2 TYR A 7 27.924 26.557 22.160 1.00 0.00 H new ATOM 0 HB3 TYR A 7 28.370 27.127 23.756 1.00 0.00 H new ATOM 0 HD1 TYR A 7 26.455 24.564 21.887 1.00 0.00 H new ATOM 0 HD2 TYR A 7 28.013 25.740 25.750 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.691 22.163 22.512 1.00 0.00 H new ATOM 0 HE2 TYR A 7 28.271 23.323 26.382 1.00 0.00 H new ATOM 0 HH TYR A 7 27.204 21.026 25.519 1.00 0.00 H new ATOM 566 N ASP A 8 26.960 29.290 21.490 1.00 0.00 N ATOM 567 CA ASP A 8 27.420 30.510 20.800 1.00 0.00 C ATOM 568 C ASP A 8 26.540 31.740 21.040 1.00 0.00 C ATOM 569 O ASP A 8 27.060 32.820 21.320 1.00 0.00 O ATOM 570 CB ASP A 8 27.420 30.230 19.310 1.00 0.00 C ATOM 571 CG ASP A 8 28.580 29.330 18.890 1.00 0.00 C ATOM 572 OD1 ASP A 8 29.730 29.710 19.180 1.00 0.00 O ATOM 573 OD2 ASP A 8 28.330 28.340 18.180 1.00 0.00 O ATOM 0 H ASP A 8 26.648 28.584 20.824 1.00 0.00 H new ATOM 0 HA ASP A 8 28.407 30.742 21.199 1.00 0.00 H new ATOM 0 HB2 ASP A 8 26.478 29.758 19.031 1.00 0.00 H new ATOM 0 HB3 ASP A 8 27.478 31.172 18.765 1.00 0.00 H new ATOM 575 N VAL A 9 25.240 31.570 20.800 1.00 0.00 N ATOM 576 CA VAL A 9 24.270 32.640 21.130 1.00 0.00 C ATOM 577 C VAL A 9 24.240 32.930 22.630 1.00 0.00 C ATOM 578 O VAL A 9 24.470 34.060 23.040 1.00 0.00 O ATOM 579 CB VAL A 9 22.840 32.430 20.570 1.00 0.00 C ATOM 580 CG1 VAL A 9 22.700 33.140 19.230 1.00 0.00 C ATOM 581 CG2 VAL A 9 22.380 30.970 20.490 1.00 0.00 C ATOM 0 H VAL A 9 24.832 30.730 20.390 1.00 0.00 H new ATOM 0 HA VAL A 9 24.648 33.518 20.607 1.00 0.00 H new ATOM 0 HB VAL A 9 22.163 32.877 21.298 1.00 0.00 H new ATOM 0 HG11 VAL A 9 21.693 32.989 18.842 1.00 0.00 H new ATOM 0 HG12 VAL A 9 22.881 34.207 19.363 1.00 0.00 H new ATOM 0 HG13 VAL A 9 23.426 32.734 18.525 1.00 0.00 H new ATOM 0 HG21 VAL A 9 21.368 30.929 20.086 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.053 30.411 19.840 1.00 0.00 H new ATOM 0 HG23 VAL A 9 22.391 30.530 21.487 1.00 0.00 H new ATOM 583 N ALA A 10 24.300 31.850 23.400 1.00 0.00 N ATOM 584 CA ALA A 10 24.270 31.910 24.870 1.00 0.00 C ATOM 585 C ALA A 10 25.460 32.720 25.450 1.00 0.00 C ATOM 586 O ALA A 10 25.250 33.730 26.140 1.00 0.00 O ATOM 587 CB ALA A 10 24.260 30.500 25.460 1.00 0.00 C ATOM 0 H ALA A 10 24.371 30.902 23.029 1.00 0.00 H new ATOM 0 HA ALA A 10 23.353 32.428 25.151 1.00 0.00 H new ATOM 0 HB1 ALA A 10 24.238 30.561 26.548 1.00 0.00 H new ATOM 0 HB2 ALA A 10 23.378 29.965 25.108 1.00 0.00 H new ATOM 0 HB3 ALA A 10 25.157 29.967 25.145 1.00 0.00 H new ATOM 589 N GLU A 11 26.660 32.350 25.010 1.00 0.00 N ATOM 590 CA GLU A 11 27.930 33.050 25.340 1.00 0.00 C ATOM 591 C GLU A 11 27.930 34.560 25.060 1.00 0.00 C ATOM 592 O GLU A 11 28.080 35.350 26.000 1.00 0.00 O ATOM 593 CB GLU A 11 29.130 32.410 24.630 1.00 0.00 C ATOM 594 CG GLU A 11 29.550 31.070 25.250 1.00 0.00 C ATOM 595 CD GLU A 11 30.460 30.260 24.320 1.00 0.00 C ATOM 596 OE1 GLU A 11 31.520 30.790 23.920 1.00 0.00 O ATOM 597 OE2 GLU A 11 30.140 29.070 24.110 1.00 0.00 O ATOM 0 H GLU A 11 26.795 31.542 24.402 1.00 0.00 H new ATOM 0 HA GLU A 11 28.019 32.931 26.420 1.00 0.00 H new ATOM 0 HB2 GLU A 11 28.884 32.256 23.579 1.00 0.00 H new ATOM 0 HB3 GLU A 11 29.974 33.099 24.662 1.00 0.00 H new ATOM 0 HG2 GLU A 11 30.067 31.254 26.192 1.00 0.00 H new ATOM 0 HG3 GLU A 11 28.660 30.485 25.484 1.00 0.00 H new ATOM 599 N TYR A 12 27.480 34.910 23.850 1.00 0.00 N ATOM 600 CA TYR A 12 27.310 36.280 23.350 1.00 0.00 C ATOM 601 C TYR A 12 26.210 37.070 24.090 1.00 0.00 C ATOM 602 O TYR A 12 26.340 38.270 24.310 1.00 0.00 O ATOM 603 CB TYR A 12 26.900 36.090 21.880 1.00 0.00 C ATOM 604 CG TYR A 12 26.840 37.380 21.060 1.00 0.00 C ATOM 605 CD1 TYR A 12 28.050 37.900 20.570 1.00 0.00 C ATOM 606 CD2 TYR A 12 25.600 38.020 20.840 1.00 0.00 C ATOM 607 CE1 TYR A 12 28.040 39.100 19.850 1.00 0.00 C ATOM 608 CE2 TYR A 12 25.590 39.220 20.120 1.00 0.00 C ATOM 609 CZ TYR A 12 26.800 39.740 19.620 1.00 0.00 C ATOM 610 OH TYR A 12 26.750 40.740 18.710 1.00 0.00 O ATOM 0 H TYR A 12 27.211 34.211 23.158 1.00 0.00 H new ATOM 0 HA TYR A 12 28.224 36.856 23.494 1.00 0.00 H new ATOM 0 HB2 TYR A 12 27.605 35.407 21.406 1.00 0.00 H new ATOM 0 HB3 TYR A 12 25.922 35.610 21.849 1.00 0.00 H new ATOM 0 HD1 TYR A 12 28.979 37.378 20.747 1.00 0.00 H new ATOM 0 HD2 TYR A 12 24.682 37.594 21.218 1.00 0.00 H new ATOM 0 HE1 TYR A 12 28.959 39.528 19.478 1.00 0.00 H new ATOM 0 HE2 TYR A 12 24.661 39.744 19.949 1.00 0.00 H new ATOM 0 HH TYR A 12 27.424 40.584 18.015 1.00 0.00 H new ATOM 613 N ALA A 13 25.120 36.380 24.390 1.00 0.00 N ATOM 614 CA ALA A 13 23.940 37.010 25.030 1.00 0.00 C ATOM 615 C ALA A 13 24.160 37.330 26.510 1.00 0.00 C ATOM 616 O ALA A 13 23.950 38.470 26.910 1.00 0.00 O ATOM 617 CB ALA A 13 22.690 36.150 24.870 1.00 0.00 C ATOM 0 H ALA A 13 25.013 35.382 24.207 1.00 0.00 H new ATOM 0 HA ALA A 13 23.794 37.955 24.507 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.845 36.643 25.351 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.475 36.014 23.810 1.00 0.00 H new ATOM 0 HB3 ALA A 13 22.855 35.178 25.334 1.00 0.00 H new ATOM 619 N GLY A 14 24.790 36.410 27.240 1.00 0.00 N ATOM 620 CA GLY A 14 24.990 36.520 28.700 1.00 0.00 C ATOM 621 C GLY A 14 24.240 35.450 29.520 1.00 0.00 C ATOM 622 O GLY A 14 23.980 35.620 30.720 1.00 0.00 O ATOM 0 H GLY A 14 25.182 35.558 26.840 1.00 0.00 H new ATOM 0 HA2 GLY A 14 26.056 36.448 28.917 1.00 0.00 H new ATOM 0 HA3 GLY A 14 24.665 37.508 29.027 1.00 0.00 H new ATOM 624 N VAL A 15 24.090 34.300 28.890 1.00 0.00 N ATOM 625 CA VAL A 15 23.310 33.140 29.380 1.00 0.00 C ATOM 626 C VAL A 15 24.000 31.790 29.080 1.00 0.00 C ATOM 627 O VAL A 15 24.890 31.670 28.240 1.00 0.00 O ATOM 628 CB VAL A 15 21.840 33.090 28.950 1.00 0.00 C ATOM 629 CG1 VAL A 15 20.980 33.770 30.020 1.00 0.00 C ATOM 630 CG2 VAL A 15 21.520 33.690 27.590 1.00 0.00 C ATOM 0 H VAL A 15 24.520 34.124 27.982 1.00 0.00 H new ATOM 0 HA VAL A 15 23.292 33.305 30.457 1.00 0.00 H new ATOM 0 HB VAL A 15 21.612 32.029 28.847 1.00 0.00 H new ATOM 0 HG11 VAL A 15 19.933 33.738 29.720 1.00 0.00 H new ATOM 0 HG12 VAL A 15 21.101 33.249 30.970 1.00 0.00 H new ATOM 0 HG13 VAL A 15 21.293 34.808 30.133 1.00 0.00 H new ATOM 0 HG21 VAL A 15 20.452 33.598 27.394 1.00 0.00 H new ATOM 0 HG22 VAL A 15 21.801 34.743 27.582 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.078 33.160 26.818 1.00 0.00 H new ATOM 632 N SER A 16 23.540 30.790 29.820 1.00 0.00 N ATOM 633 CA SER A 16 23.980 29.400 29.670 1.00 0.00 C ATOM 634 C SER A 16 23.200 28.720 28.530 1.00 0.00 C ATOM 635 O SER A 16 22.030 29.050 28.290 1.00 0.00 O ATOM 636 CB SER A 16 23.770 28.680 31.010 1.00 0.00 C ATOM 637 OG SER A 16 22.420 28.260 31.230 1.00 0.00 O ATOM 0 H SER A 16 22.842 30.918 30.552 1.00 0.00 H new ATOM 0 HA SER A 16 25.037 29.358 29.407 1.00 0.00 H new ATOM 0 HB2 SER A 16 24.424 27.809 31.051 1.00 0.00 H new ATOM 0 HB3 SER A 16 24.072 29.343 31.820 1.00 0.00 H new ATOM 0 HG SER A 16 21.807 28.980 30.972 1.00 0.00 H new ATOM 640 N TYR A 17 23.860 27.800 27.840 1.00 0.00 N ATOM 641 CA TYR A 17 23.270 27.060 26.700 1.00 0.00 C ATOM 642 C TYR A 17 21.930 26.390 27.050 1.00 0.00 C ATOM 643 O TYR A 17 21.060 26.250 26.190 1.00 0.00 O ATOM 644 CB TYR A 17 24.330 26.080 26.170 1.00 0.00 C ATOM 645 CG TYR A 17 24.160 24.590 26.480 1.00 0.00 C ATOM 646 CD1 TYR A 17 23.380 23.870 25.560 1.00 0.00 C ATOM 647 CD2 TYR A 17 24.730 23.960 27.620 1.00 0.00 C ATOM 648 CE1 TYR A 17 23.130 22.510 25.790 1.00 0.00 C ATOM 649 CE2 TYR A 17 24.480 22.590 27.850 1.00 0.00 C ATOM 650 CZ TYR A 17 23.660 21.890 26.930 1.00 0.00 C ATOM 651 OH TYR A 17 23.140 20.660 27.200 1.00 0.00 O ATOM 0 H TYR A 17 24.823 27.535 28.045 1.00 0.00 H new ATOM 0 HA TYR A 17 23.006 27.758 25.906 1.00 0.00 H new ATOM 0 HB2 TYR A 17 24.374 26.191 25.087 1.00 0.00 H new ATOM 0 HB3 TYR A 17 25.298 26.393 26.562 1.00 0.00 H new ATOM 0 HD1 TYR A 17 22.977 24.359 24.685 1.00 0.00 H new ATOM 0 HD2 TYR A 17 25.348 24.524 28.303 1.00 0.00 H new ATOM 0 HE1 TYR A 17 22.532 21.943 25.092 1.00 0.00 H new ATOM 0 HE2 TYR A 17 24.904 22.087 28.707 1.00 0.00 H new ATOM 0 HH TYR A 17 23.022 20.164 26.363 1.00 0.00 H new ATOM 654 N GLN A 18 21.760 26.020 28.320 1.00 0.00 N ATOM 655 CA GLN A 18 20.500 25.480 28.870 1.00 0.00 C ATOM 656 C GLN A 18 19.280 26.410 28.700 1.00 0.00 C ATOM 657 O GLN A 18 18.160 25.960 28.440 1.00 0.00 O ATOM 658 CB GLN A 18 20.760 25.220 30.350 1.00 0.00 C ATOM 659 CG GLN A 18 19.990 24.020 30.910 1.00 0.00 C ATOM 660 CD GLN A 18 20.040 22.790 30.010 1.00 0.00 C ATOM 661 OE1 GLN A 18 19.080 22.500 29.320 1.00 0.00 O ATOM 662 NE2 GLN A 18 21.060 21.960 30.090 1.00 0.00 N ATOM 0 H GLN A 18 22.504 26.086 29.015 1.00 0.00 H new ATOM 0 HA GLN A 18 20.236 24.578 28.318 1.00 0.00 H new ATOM 0 HB2 GLN A 18 21.827 25.057 30.499 1.00 0.00 H new ATOM 0 HB3 GLN A 18 20.491 26.110 30.919 1.00 0.00 H new ATOM 0 HG2 GLN A 18 20.397 23.762 31.888 1.00 0.00 H new ATOM 0 HG3 GLN A 18 18.949 24.306 31.063 1.00 0.00 H new ATOM 0 HE21 GLN A 18 21.867 22.198 30.667 1.00 0.00 H new ATOM 0 HE22 GLN A 18 21.043 21.080 29.575 1.00 0.00 H new ATOM 666 N THR A 19 19.530 27.640 29.120 1.00 0.00 N ATOM 667 CA THR A 19 18.600 28.790 29.200 1.00 0.00 C ATOM 668 C THR A 19 18.180 29.210 27.780 1.00 0.00 C ATOM 669 O THR A 19 17.000 29.220 27.460 1.00 0.00 O ATOM 670 CB THR A 19 19.350 29.910 29.950 1.00 0.00 C ATOM 671 OG1 THR A 19 19.920 29.400 31.160 1.00 0.00 O ATOM 672 CG2 THR A 19 18.510 31.130 30.310 1.00 0.00 C ATOM 0 H THR A 19 20.463 27.896 29.444 1.00 0.00 H new ATOM 0 HA THR A 19 17.682 28.547 29.735 1.00 0.00 H new ATOM 0 HB THR A 19 20.109 30.245 29.243 1.00 0.00 H new ATOM 0 HG1 THR A 19 19.277 29.500 31.892 1.00 0.00 H new ATOM 0 HG21 THR A 19 19.130 31.857 30.834 1.00 0.00 H new ATOM 0 HG22 THR A 19 18.113 31.580 29.400 1.00 0.00 H new ATOM 0 HG23 THR A 19 17.685 30.826 30.954 1.00 0.00 H new ATOM 675 N VAL A 20 19.160 29.340 26.890 1.00 0.00 N ATOM 676 CA VAL A 20 18.940 29.560 25.440 1.00 0.00 C ATOM 677 C VAL A 20 18.220 28.370 24.760 1.00 0.00 C ATOM 678 O VAL A 20 17.330 28.580 23.940 1.00 0.00 O ATOM 679 CB VAL A 20 20.290 30.030 24.870 1.00 0.00 C ATOM 680 CG1 VAL A 20 20.470 30.050 23.360 1.00 0.00 C ATOM 681 CG2 VAL A 20 20.440 31.470 25.320 1.00 0.00 C ATOM 0 H VAL A 20 20.146 29.297 27.146 1.00 0.00 H new ATOM 0 HA VAL A 20 18.218 30.348 25.223 1.00 0.00 H new ATOM 0 HB VAL A 20 21.019 29.304 25.230 1.00 0.00 H new ATOM 0 HG11 VAL A 20 21.472 30.404 23.118 1.00 0.00 H new ATOM 0 HG12 VAL A 20 20.335 29.043 22.964 1.00 0.00 H new ATOM 0 HG13 VAL A 20 19.732 30.717 22.914 1.00 0.00 H new ATOM 0 HG21 VAL A 20 21.383 31.871 24.949 1.00 0.00 H new ATOM 0 HG22 VAL A 20 19.614 32.062 24.926 1.00 0.00 H new ATOM 0 HG23 VAL A 20 20.431 31.514 26.409 1.00 0.00 H new ATOM 683 N SER A 21 18.480 27.170 25.260 1.00 0.00 N ATOM 684 CA SER A 21 17.640 25.970 24.980 1.00 0.00 C ATOM 685 C SER A 21 16.190 26.120 25.450 1.00 0.00 C ATOM 686 O SER A 21 15.300 26.040 24.620 1.00 0.00 O ATOM 687 CB SER A 21 18.250 24.690 25.560 1.00 0.00 C ATOM 688 OG SER A 21 17.380 23.580 25.340 1.00 0.00 O ATOM 0 H SER A 21 19.273 26.981 25.872 1.00 0.00 H new ATOM 0 HA SER A 21 17.622 25.887 23.893 1.00 0.00 H new ATOM 0 HB2 SER A 21 19.218 24.499 25.097 1.00 0.00 H new ATOM 0 HB3 SER A 21 18.427 24.815 26.628 1.00 0.00 H new ATOM 0 HG SER A 21 17.273 23.434 24.377 1.00 0.00 H new ATOM 691 N ARG A 22 15.980 26.470 26.720 1.00 0.00 N ATOM 692 CA ARG A 22 14.660 26.790 27.310 1.00 0.00 C ATOM 693 C ARG A 22 14.040 28.170 26.960 1.00 0.00 C ATOM 694 O ARG A 22 13.220 28.730 27.680 1.00 0.00 O ATOM 695 CB ARG A 22 14.840 26.590 28.810 1.00 0.00 C ATOM 696 CG ARG A 22 15.160 25.140 29.160 1.00 0.00 C ATOM 697 CD ARG A 22 14.710 24.980 30.600 1.00 0.00 C ATOM 698 NE ARG A 22 15.140 23.680 31.120 1.00 0.00 N ATOM 699 CZ ARG A 22 16.170 23.490 31.960 1.00 0.00 C ATOM 700 NH1 ARG A 22 16.900 24.520 32.400 1.00 0.00 N ATOM 701 NH2 ARG A 22 16.430 22.240 32.340 1.00 0.00 N ATOM 0 H ARG A 22 16.741 26.544 27.395 1.00 0.00 H new ATOM 0 HA ARG A 22 13.914 26.128 26.869 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.643 27.235 29.168 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.931 26.896 29.328 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.633 24.449 28.502 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.225 24.933 29.053 1.00 0.00 H new ATOM 0 HD2 ARG A 22 15.127 25.781 31.211 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.625 25.064 30.662 1.00 0.00 H new ATOM 0 HE ARG A 22 14.617 22.857 30.821 1.00 0.00 H new ATOM 0 HH11 ARG A 22 16.678 25.469 32.098 1.00 0.00 H new ATOM 0 HH12 ARG A 22 17.679 24.357 33.038 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.855 21.472 31.994 1.00 0.00 H new ATOM 0 HH22 ARG A 22 17.204 22.051 32.977 1.00 0.00 H new ATOM 708 N VAL A 23 14.620 28.800 25.950 1.00 0.00 N ATOM 709 CA VAL A 23 13.950 29.820 25.110 1.00 0.00 C ATOM 710 C VAL A 23 13.140 29.160 23.970 1.00 0.00 C ATOM 711 O VAL A 23 11.990 29.500 23.700 1.00 0.00 O ATOM 712 CB VAL A 23 15.070 30.780 24.640 1.00 0.00 C ATOM 713 CG1 VAL A 23 14.740 31.620 23.400 1.00 0.00 C ATOM 714 CG2 VAL A 23 15.450 31.700 25.790 1.00 0.00 C ATOM 0 H VAL A 23 15.586 28.624 25.674 1.00 0.00 H new ATOM 0 HA VAL A 23 13.199 30.391 25.656 1.00 0.00 H new ATOM 0 HB VAL A 23 15.899 30.139 24.338 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.590 32.257 23.155 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.528 30.960 22.559 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.867 32.241 23.603 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.239 32.380 25.467 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.578 32.277 26.098 1.00 0.00 H new ATOM 0 HG23 VAL A 23 15.806 31.104 26.630 1.00 0.00 H new ATOM 716 N VAL A 24 13.750 28.110 23.430 1.00 0.00 N ATOM 717 CA VAL A 24 13.250 27.320 22.290 1.00 0.00 C ATOM 718 C VAL A 24 12.370 26.160 22.780 1.00 0.00 C ATOM 719 O VAL A 24 11.160 26.140 22.550 1.00 0.00 O ATOM 720 CB VAL A 24 14.540 26.920 21.540 1.00 0.00 C ATOM 721 CG1 VAL A 24 14.380 25.780 20.550 1.00 0.00 C ATOM 722 CG2 VAL A 24 15.180 28.150 20.870 1.00 0.00 C ATOM 0 H VAL A 24 14.643 27.765 23.783 1.00 0.00 H new ATOM 0 HA VAL A 24 12.580 27.852 21.614 1.00 0.00 H new ATOM 0 HB VAL A 24 15.209 26.529 22.307 1.00 0.00 H new ATOM 0 HG11 VAL A 24 15.339 25.573 20.075 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.035 24.889 21.074 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.651 26.058 19.789 1.00 0.00 H new ATOM 0 HG21 VAL A 24 16.087 27.848 20.347 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.478 28.583 20.158 1.00 0.00 H new ATOM 0 HG23 VAL A 24 15.429 28.890 21.630 1.00 0.00 H new ATOM 724 N ASN A 25 12.970 25.240 23.540 1.00 0.00 N ATOM 725 CA ASN A 25 12.330 24.020 24.060 1.00 0.00 C ATOM 726 C ASN A 25 12.630 23.770 25.540 1.00 0.00 C ATOM 727 O ASN A 25 13.700 24.100 26.060 1.00 0.00 O ATOM 728 CB ASN A 25 12.780 22.830 23.210 1.00 0.00 C ATOM 729 CG ASN A 25 11.850 22.640 22.020 1.00 0.00 C ATOM 730 OD1 ASN A 25 10.640 22.470 22.140 1.00 0.00 O ATOM 731 ND2 ASN A 25 12.400 22.510 20.830 1.00 0.00 N ATOM 0 H ASN A 25 13.947 25.323 23.822 1.00 0.00 H new ATOM 0 HA ASN A 25 11.250 24.151 23.992 1.00 0.00 H new ATOM 0 HB2 ASN A 25 13.800 22.991 22.860 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.791 21.925 23.818 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.822 22.271 20.024 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.404 22.648 20.714 1.00 0.00 H new ATOM 735 N GLN A 26 11.600 23.240 26.200 1.00 0.00 N ATOM 736 CA GLN A 26 11.420 23.150 27.660 1.00 0.00 C ATOM 737 C GLN A 26 11.400 24.560 28.290 1.00 0.00 C ATOM 738 O GLN A 26 11.720 24.750 29.470 1.00 0.00 O ATOM 739 CB GLN A 26 12.440 22.210 28.330 1.00 0.00 C ATOM 740 CG GLN A 26 11.770 21.520 29.510 1.00 0.00 C ATOM 741 CD GLN A 26 12.480 21.800 30.840 1.00 0.00 C ATOM 742 OE1 GLN A 26 13.500 21.210 31.160 1.00 0.00 O ATOM 743 NE2 GLN A 26 12.110 22.820 31.580 1.00 0.00 N ATOM 0 H GLN A 26 10.811 22.832 25.699 1.00 0.00 H new ATOM 0 HA GLN A 26 10.449 22.692 27.846 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.798 21.470 27.614 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.309 22.775 28.667 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.734 21.852 29.579 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.749 20.445 29.333 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.264 23.339 31.346 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.669 23.093 32.388 1.00 0.00 H new ATOM 747 N ALA A 27 10.780 25.490 27.570 1.00 0.00 N ATOM 748 CA ALA A 27 10.810 26.920 27.900 1.00 0.00 C ATOM 749 C ALA A 27 10.290 27.300 29.280 1.00 0.00 C ATOM 750 O ALA A 27 9.120 27.120 29.630 1.00 0.00 O ATOM 751 CB ALA A 27 10.130 27.710 26.780 1.00 0.00 C ATOM 0 H ALA A 27 10.237 25.276 26.734 1.00 0.00 H new ATOM 0 HA ALA A 27 11.863 27.192 27.966 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.150 28.773 27.021 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.659 27.540 25.842 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.096 27.380 26.678 1.00 0.00 H new ATOM 753 N SER A 28 11.260 27.760 30.060 1.00 0.00 N ATOM 754 CA SER A 28 11.120 28.100 31.480 1.00 0.00 C ATOM 755 C SER A 28 12.450 28.700 31.950 1.00 0.00 C ATOM 756 O SER A 28 13.530 28.250 31.570 1.00 0.00 O ATOM 757 CB SER A 28 10.870 26.820 32.270 1.00 0.00 C ATOM 758 OG SER A 28 10.560 27.170 33.610 1.00 0.00 O ATOM 0 H SER A 28 12.206 27.915 29.711 1.00 0.00 H new ATOM 0 HA SER A 28 10.297 28.800 31.628 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.050 26.256 31.827 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.751 26.179 32.240 1.00 0.00 H new ATOM 0 HG SER A 28 10.784 26.423 34.203 1.00 0.00 H new ATOM 761 N HIS A 29 12.340 29.670 32.840 1.00 0.00 N ATOM 762 CA HIS A 29 13.460 30.330 33.540 1.00 0.00 C ATOM 763 C HIS A 29 14.480 31.030 32.620 1.00 0.00 C ATOM 764 O HIS A 29 15.660 30.710 32.560 1.00 0.00 O ATOM 765 CB HIS A 29 14.110 29.370 34.550 1.00 0.00 C ATOM 766 CG HIS A 29 13.130 29.030 35.670 1.00 0.00 C ATOM 767 ND1 HIS A 29 12.560 29.900 36.510 1.00 0.00 N ATOM 768 CD2 HIS A 29 12.530 27.860 35.800 1.00 0.00 C ATOM 769 CE1 HIS A 29 11.600 29.240 37.150 1.00 0.00 C ATOM 770 NE2 HIS A 29 11.570 27.990 36.700 1.00 0.00 N ATOM 0 H HIS A 29 11.433 30.046 33.116 1.00 0.00 H new ATOM 0 HA HIS A 29 13.022 31.159 34.096 1.00 0.00 H new ATOM 0 HB2 HIS A 29 14.424 28.457 34.043 1.00 0.00 H new ATOM 0 HB3 HIS A 29 15.007 29.826 34.969 1.00 0.00 H new ATOM 0 HD1 HIS A 29 12.813 30.880 36.635 1.00 0.00 H new ATOM 0 HD2 HIS A 29 12.780 26.956 35.265 1.00 0.00 H new ATOM 0 HE1 HIS A 29 10.952 29.651 37.910 1.00 0.00 H new ATOM 774 N VAL A 30 13.920 31.970 31.870 1.00 0.00 N ATOM 775 CA VAL A 30 14.670 32.930 31.040 1.00 0.00 C ATOM 776 C VAL A 30 14.070 34.320 31.210 1.00 0.00 C ATOM 777 O VAL A 30 13.060 34.730 30.620 1.00 0.00 O ATOM 778 CB VAL A 30 14.830 32.400 29.590 1.00 0.00 C ATOM 779 CG1 VAL A 30 13.550 32.440 28.740 1.00 0.00 C ATOM 780 CG2 VAL A 30 15.960 33.210 28.960 1.00 0.00 C ATOM 0 H VAL A 30 12.909 32.097 31.814 1.00 0.00 H new ATOM 0 HA VAL A 30 15.702 33.034 31.375 1.00 0.00 H new ATOM 0 HB VAL A 30 15.062 31.336 29.627 1.00 0.00 H new ATOM 0 HG11 VAL A 30 13.762 32.050 27.744 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.780 31.830 29.212 1.00 0.00 H new ATOM 0 HG13 VAL A 30 13.199 33.469 28.659 1.00 0.00 H new ATOM 0 HG21 VAL A 30 16.117 32.878 27.934 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.695 34.267 28.963 1.00 0.00 H new ATOM 0 HG23 VAL A 30 16.876 33.064 29.533 1.00 0.00 H new ATOM 782 N SER A 31 14.800 35.030 32.050 1.00 0.00 N ATOM 783 CA SER A 31 14.280 36.190 32.770 1.00 0.00 C ATOM 784 C SER A 31 14.460 37.440 31.910 1.00 0.00 C ATOM 785 O SER A 31 15.030 37.370 30.830 1.00 0.00 O ATOM 786 CB SER A 31 15.010 36.310 34.110 1.00 0.00 C ATOM 787 OG SER A 31 14.150 35.780 35.110 1.00 0.00 O ATOM 0 H SER A 31 15.777 34.821 32.257 1.00 0.00 H new ATOM 0 HA SER A 31 13.215 36.075 32.972 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.952 35.763 34.084 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.252 37.351 34.324 1.00 0.00 H new ATOM 0 HG SER A 31 14.642 35.130 35.654 1.00 0.00 H new ATOM 790 N ALA A 32 13.930 38.550 32.370 1.00 0.00 N ATOM 791 CA ALA A 32 13.670 39.730 31.520 1.00 0.00 C ATOM 792 C ALA A 32 14.830 40.190 30.620 1.00 0.00 C ATOM 793 O ALA A 32 14.680 40.200 29.390 1.00 0.00 O ATOM 794 CB ALA A 32 13.160 40.910 32.340 1.00 0.00 C ATOM 0 H ALA A 32 13.660 38.678 33.345 1.00 0.00 H new ATOM 0 HA ALA A 32 12.899 39.375 30.836 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.980 41.760 31.682 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.231 40.633 32.837 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.905 41.182 33.088 1.00 0.00 H new ATOM 796 N LYS A 33 15.920 40.640 31.220 1.00 0.00 N ATOM 797 CA LYS A 33 17.060 41.170 30.450 1.00 0.00 C ATOM 798 C LYS A 33 17.850 40.050 29.760 1.00 0.00 C ATOM 799 O LYS A 33 18.200 40.170 28.600 1.00 0.00 O ATOM 800 CB LYS A 33 17.920 42.050 31.350 1.00 0.00 C ATOM 801 CG LYS A 33 19.010 42.820 30.600 1.00 0.00 C ATOM 802 CD LYS A 33 19.470 43.990 31.460 1.00 0.00 C ATOM 803 CE LYS A 33 20.500 44.840 30.720 1.00 0.00 C ATOM 804 NZ LYS A 33 20.830 46.030 31.500 1.00 0.00 N ATOM 0 H LYS A 33 16.050 40.654 32.232 1.00 0.00 H new ATOM 0 HA LYS A 33 16.686 41.796 29.640 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.277 42.761 31.869 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.387 41.427 32.113 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.851 42.163 30.378 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.627 43.182 29.646 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.613 44.606 31.732 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.901 43.616 32.389 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.401 44.255 30.538 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.108 45.133 29.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.532 46.599 30.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.970 46.595 31.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 21.223 45.744 32.419 1.00 0.00 H new ATOM 809 N THR A 34 17.920 38.880 30.400 1.00 0.00 N ATOM 810 CA THR A 34 18.630 37.710 29.850 1.00 0.00 C ATOM 811 C THR A 34 17.950 37.180 28.570 1.00 0.00 C ATOM 812 O THR A 34 18.620 36.970 27.560 1.00 0.00 O ATOM 813 CB THR A 34 18.800 36.600 30.890 1.00 0.00 C ATOM 814 OG1 THR A 34 17.550 36.200 31.440 1.00 0.00 O ATOM 815 CG2 THR A 34 19.770 37.040 31.990 1.00 0.00 C ATOM 0 H THR A 34 17.490 38.712 31.310 1.00 0.00 H new ATOM 0 HA THR A 34 19.629 38.049 29.575 1.00 0.00 H new ATOM 0 HB THR A 34 19.223 35.731 30.385 1.00 0.00 H new ATOM 0 HG1 THR A 34 16.847 36.810 31.133 1.00 0.00 H new ATOM 0 HG21 THR A 34 19.879 36.239 32.721 1.00 0.00 H new ATOM 0 HG22 THR A 34 20.742 37.264 31.550 1.00 0.00 H new ATOM 0 HG23 THR A 34 19.381 37.931 32.483 1.00 0.00 H new ATOM 818 N ARG A 35 16.630 37.100 28.610 1.00 0.00 N ATOM 819 CA ARG A 35 15.740 36.850 27.460 1.00 0.00 C ATOM 820 C ARG A 35 15.770 37.970 26.410 1.00 0.00 C ATOM 821 O ARG A 35 15.990 37.670 25.240 1.00 0.00 O ATOM 822 CB ARG A 35 14.330 36.580 27.990 1.00 0.00 C ATOM 823 CG ARG A 35 13.380 35.960 26.960 1.00 0.00 C ATOM 824 CD ARG A 35 11.990 35.740 27.560 1.00 0.00 C ATOM 825 NE ARG A 35 11.350 37.010 27.920 1.00 0.00 N ATOM 826 CZ ARG A 35 10.930 37.400 29.130 1.00 0.00 C ATOM 827 NH1 ARG A 35 11.110 36.700 30.250 1.00 0.00 N ATOM 828 NH2 ARG A 35 10.330 38.570 29.220 1.00 0.00 N ATOM 0 H ARG A 35 16.113 37.211 29.482 1.00 0.00 H new ATOM 0 HA ARG A 35 16.103 35.973 26.924 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.399 35.915 28.851 1.00 0.00 H new ATOM 0 HB3 ARG A 35 13.902 37.517 28.345 1.00 0.00 H new ATOM 0 HG2 ARG A 35 13.305 36.612 26.090 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.785 35.009 26.612 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.364 35.207 26.844 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.071 35.109 28.445 1.00 0.00 H new ATOM 0 HE ARG A 35 11.208 37.674 27.159 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.596 35.804 30.219 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.762 37.061 31.138 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.200 39.142 28.386 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.995 38.903 30.124 1.00 0.00 H new ATOM 835 N GLU A 36 15.790 39.240 26.840 1.00 0.00 N ATOM 836 CA GLU A 36 16.070 40.360 25.910 1.00 0.00 C ATOM 837 C GLU A 36 17.410 40.210 25.190 1.00 0.00 C ATOM 838 O GLU A 36 17.470 40.370 23.970 1.00 0.00 O ATOM 839 CB GLU A 36 16.030 41.740 26.550 1.00 0.00 C ATOM 840 CG GLU A 36 14.600 42.290 26.600 1.00 0.00 C ATOM 841 CD GLU A 36 14.630 43.810 26.530 1.00 0.00 C ATOM 842 OE1 GLU A 36 15.010 44.330 25.450 1.00 0.00 O ATOM 843 OE2 GLU A 36 14.360 44.440 27.570 1.00 0.00 O ATOM 0 H GLU A 36 15.620 39.521 27.806 1.00 0.00 H new ATOM 0 HA GLU A 36 15.250 40.294 25.195 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.437 41.687 27.560 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.665 42.423 25.986 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.017 41.890 25.770 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.109 41.969 27.518 1.00 0.00 H new ATOM 845 N LYS A 37 18.440 39.740 25.900 1.00 0.00 N ATOM 846 CA LYS A 37 19.760 39.430 25.320 1.00 0.00 C ATOM 847 C LYS A 37 19.700 38.300 24.280 1.00 0.00 C ATOM 848 O LYS A 37 20.490 38.330 23.340 1.00 0.00 O ATOM 849 CB LYS A 37 20.740 39.020 26.420 1.00 0.00 C ATOM 850 CG LYS A 37 21.100 40.090 27.460 1.00 0.00 C ATOM 851 CD LYS A 37 22.020 41.130 26.840 1.00 0.00 C ATOM 852 CE LYS A 37 22.390 42.220 27.840 1.00 0.00 C ATOM 853 NZ LYS A 37 23.200 43.190 27.080 1.00 0.00 N ATOM 0 H LYS A 37 18.385 39.561 26.903 1.00 0.00 H new ATOM 0 HA LYS A 37 20.096 40.339 24.821 1.00 0.00 H new ATOM 0 HB2 LYS A 37 20.321 38.162 26.946 1.00 0.00 H new ATOM 0 HB3 LYS A 37 21.662 38.684 25.946 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.193 40.569 27.830 1.00 0.00 H new ATOM 0 HG3 LYS A 37 21.588 39.626 28.317 1.00 0.00 H new ATOM 0 HD2 LYS A 37 22.926 40.645 26.478 1.00 0.00 H new ATOM 0 HD3 LYS A 37 21.532 41.579 25.975 1.00 0.00 H new ATOM 0 HE2 LYS A 37 21.499 42.692 28.255 1.00 0.00 H new ATOM 0 HE3 LYS A 37 22.953 41.809 28.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 23.489 43.968 27.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 24.046 42.716 26.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 22.637 43.571 26.293 1.00 0.00 H new ATOM 858 N VAL A 38 18.860 37.280 24.500 1.00 0.00 N ATOM 859 CA VAL A 38 18.670 36.150 23.560 1.00 0.00 C ATOM 860 C VAL A 38 17.890 36.590 22.300 1.00 0.00 C ATOM 861 O VAL A 38 18.290 36.230 21.190 1.00 0.00 O ATOM 862 CB VAL A 38 17.980 34.920 24.210 1.00 0.00 C ATOM 863 CG1 VAL A 38 18.160 33.690 23.320 1.00 0.00 C ATOM 864 CG2 VAL A 38 18.590 34.570 25.570 1.00 0.00 C ATOM 0 H VAL A 38 18.285 37.208 25.340 1.00 0.00 H new ATOM 0 HA VAL A 38 19.673 35.838 23.269 1.00 0.00 H new ATOM 0 HB VAL A 38 16.930 35.184 24.333 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.673 32.832 23.783 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.712 33.878 22.344 1.00 0.00 H new ATOM 0 HG13 VAL A 38 19.223 33.482 23.198 1.00 0.00 H new ATOM 0 HG21 VAL A 38 18.076 33.704 25.987 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.648 34.339 25.446 1.00 0.00 H new ATOM 0 HG23 VAL A 38 18.481 35.417 26.247 1.00 0.00 H new ATOM 866 N GLU A 39 16.920 37.480 22.510 1.00 0.00 N ATOM 867 CA GLU A 39 16.140 38.140 21.440 1.00 0.00 C ATOM 868 C GLU A 39 17.010 39.070 20.580 1.00 0.00 C ATOM 869 O GLU A 39 16.880 39.080 19.360 1.00 0.00 O ATOM 870 CB GLU A 39 14.960 38.930 22.000 1.00 0.00 C ATOM 871 CG GLU A 39 13.860 38.000 22.520 1.00 0.00 C ATOM 872 CD GLU A 39 12.600 38.760 22.950 1.00 0.00 C ATOM 873 OE1 GLU A 39 12.590 39.360 24.040 1.00 0.00 O ATOM 874 OE2 GLU A 39 11.580 38.610 22.250 1.00 0.00 O ATOM 0 H GLU A 39 16.642 37.775 23.446 1.00 0.00 H new ATOM 0 HA GLU A 39 15.759 37.336 20.810 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.304 39.576 22.808 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.553 39.578 21.224 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.599 37.282 21.743 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.242 37.429 23.366 1.00 0.00 H new ATOM 876 N ALA A 40 17.990 39.710 21.230 1.00 0.00 N ATOM 877 CA ALA A 40 19.080 40.440 20.580 1.00 0.00 C ATOM 878 C ALA A 40 19.950 39.480 19.740 1.00 0.00 C ATOM 879 O ALA A 40 19.930 39.520 18.510 1.00 0.00 O ATOM 880 CB ALA A 40 19.840 41.120 21.720 1.00 0.00 C ATOM 0 H ALA A 40 18.046 39.734 22.248 1.00 0.00 H new ATOM 0 HA ALA A 40 18.731 41.187 19.867 1.00 0.00 H new ATOM 0 HB1 ALA A 40 20.675 41.689 21.312 1.00 0.00 H new ATOM 0 HB2 ALA A 40 19.169 41.793 22.254 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.218 40.363 22.408 1.00 0.00 H new ATOM 882 N ALA A 41 20.640 38.580 20.440 1.00 0.00 N ATOM 883 CA ALA A 41 21.480 37.480 19.900 1.00 0.00 C ATOM 884 C ALA A 41 20.930 36.720 18.690 1.00 0.00 C ATOM 885 O ALA A 41 21.650 36.590 17.710 1.00 0.00 O ATOM 886 CB ALA A 41 21.820 36.470 21.000 1.00 0.00 C ATOM 0 H ALA A 41 20.636 38.589 21.460 1.00 0.00 H new ATOM 0 HA ALA A 41 22.364 38.002 19.534 1.00 0.00 H new ATOM 0 HB1 ALA A 41 22.436 35.672 20.584 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.367 36.972 21.798 1.00 0.00 H new ATOM 0 HB3 ALA A 41 20.900 36.046 21.402 1.00 0.00 H new ATOM 888 N MET A 42 19.720 36.160 18.790 1.00 0.00 N ATOM 889 CA MET A 42 19.010 35.560 17.630 1.00 0.00 C ATOM 890 C MET A 42 19.150 36.340 16.310 1.00 0.00 C ATOM 891 O MET A 42 19.170 35.720 15.250 1.00 0.00 O ATOM 892 CB MET A 42 17.540 35.330 17.980 1.00 0.00 C ATOM 893 CG MET A 42 17.410 34.130 18.920 1.00 0.00 C ATOM 894 SD MET A 42 18.490 32.710 18.500 1.00 0.00 S ATOM 895 CE MET A 42 18.800 32.080 20.130 1.00 0.00 C ATOM 0 H MET A 42 19.199 36.104 19.665 1.00 0.00 H new ATOM 0 HA MET A 42 19.503 34.607 17.439 1.00 0.00 H new ATOM 0 HB2 MET A 42 17.126 36.220 18.454 1.00 0.00 H new ATOM 0 HB3 MET A 42 16.964 35.155 17.071 1.00 0.00 H new ATOM 0 HG2 MET A 42 17.637 34.454 19.935 1.00 0.00 H new ATOM 0 HG3 MET A 42 16.373 33.794 18.917 1.00 0.00 H new ATOM 0 HE1 MET A 42 19.043 31.019 20.070 1.00 0.00 H new ATOM 0 HE2 MET A 42 19.636 32.619 20.576 1.00 0.00 H new ATOM 0 HE3 MET A 42 17.911 32.214 20.747 1.00 0.00 H new ATOM 897 N ALA A 43 19.270 37.660 16.410 1.00 0.00 N ATOM 898 CA ALA A 43 19.540 38.540 15.260 1.00 0.00 C ATOM 899 C ALA A 43 21.040 38.850 15.050 1.00 0.00 C ATOM 900 O ALA A 43 21.590 38.580 13.980 1.00 0.00 O ATOM 901 CB ALA A 43 18.690 39.820 15.360 1.00 0.00 C ATOM 0 H ALA A 43 19.183 38.160 17.295 1.00 0.00 H new ATOM 0 HA ALA A 43 19.244 37.992 14.365 1.00 0.00 H new ATOM 0 HB1 ALA A 43 18.898 40.463 14.505 1.00 0.00 H new ATOM 0 HB2 ALA A 43 17.633 39.555 15.366 1.00 0.00 H new ATOM 0 HB3 ALA A 43 18.937 40.350 16.280 1.00 0.00 H new ATOM 903 N GLU A 44 21.710 39.300 16.110 1.00 0.00 N ATOM 904 CA GLU A 44 23.170 39.550 16.110 1.00 0.00 C ATOM 905 C GLU A 44 24.120 38.400 15.720 1.00 0.00 C ATOM 906 O GLU A 44 25.210 38.670 15.220 1.00 0.00 O ATOM 907 CB GLU A 44 23.600 40.190 17.430 1.00 0.00 C ATOM 908 CG GLU A 44 23.720 41.710 17.230 1.00 0.00 C ATOM 909 CD GLU A 44 22.390 42.460 17.270 1.00 0.00 C ATOM 910 OE1 GLU A 44 21.650 42.290 18.260 1.00 0.00 O ATOM 911 OE2 GLU A 44 22.190 43.330 16.390 1.00 0.00 O ATOM 0 H GLU A 44 21.262 39.506 17.003 1.00 0.00 H new ATOM 0 HA GLU A 44 23.291 40.233 15.269 1.00 0.00 H new ATOM 0 HB2 GLU A 44 22.872 39.969 18.211 1.00 0.00 H new ATOM 0 HB3 GLU A 44 24.554 39.776 17.757 1.00 0.00 H new ATOM 0 HG2 GLU A 44 24.375 42.115 18.002 1.00 0.00 H new ATOM 0 HG3 GLU A 44 24.202 41.901 16.271 1.00 0.00 H new ATOM 913 N LEU A 45 23.720 37.170 16.020 1.00 0.00 N ATOM 914 CA LEU A 45 24.250 35.940 15.390 1.00 0.00 C ATOM 915 C LEU A 45 23.070 35.230 14.690 1.00 0.00 C ATOM 916 O LEU A 45 21.930 35.250 15.150 1.00 0.00 O ATOM 917 CB LEU A 45 24.890 34.970 16.400 1.00 0.00 C ATOM 918 CG LEU A 45 25.900 35.590 17.380 1.00 0.00 C ATOM 919 CD1 LEU A 45 26.410 34.540 18.370 1.00 0.00 C ATOM 920 CD2 LEU A 45 27.110 36.240 16.700 1.00 0.00 C ATOM 0 H LEU A 45 23.003 36.983 16.721 1.00 0.00 H new ATOM 0 HA LEU A 45 25.035 36.228 14.691 1.00 0.00 H new ATOM 0 HB2 LEU A 45 24.094 34.500 16.978 1.00 0.00 H new ATOM 0 HB3 LEU A 45 25.391 34.177 15.845 1.00 0.00 H new ATOM 0 HG LEU A 45 25.348 36.377 17.894 1.00 0.00 H new ATOM 0 HD11 LEU A 45 27.123 35.001 19.054 1.00 0.00 H new ATOM 0 HD12 LEU A 45 25.571 34.137 18.938 1.00 0.00 H new ATOM 0 HD13 LEU A 45 26.899 33.733 17.825 1.00 0.00 H new ATOM 0 HD21 LEU A 45 27.775 36.654 17.458 1.00 0.00 H new ATOM 0 HD22 LEU A 45 27.646 35.491 16.117 1.00 0.00 H new ATOM 0 HD23 LEU A 45 26.771 37.038 16.040 1.00 0.00 H new ATOM 922 N ASN A 46 23.360 34.600 13.560 1.00 0.00 N ATOM 923 CA ASN A 46 22.330 33.850 12.810 1.00 0.00 C ATOM 924 C ASN A 46 22.370 32.340 13.120 1.00 0.00 C ATOM 925 O ASN A 46 23.110 31.550 12.540 1.00 0.00 O ATOM 926 CB ASN A 46 22.310 34.200 11.310 1.00 0.00 C ATOM 927 CG ASN A 46 23.640 34.000 10.600 1.00 0.00 C ATOM 928 OD1 ASN A 46 23.930 32.960 10.020 1.00 0.00 O ATOM 929 ND2 ASN A 46 24.500 34.970 10.720 1.00 0.00 N ATOM 0 H ASN A 46 24.287 34.586 13.136 1.00 0.00 H new ATOM 0 HA ASN A 46 21.359 34.185 13.173 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.554 33.589 10.817 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.004 35.240 11.196 1.00 0.00 H new ATOM 0 HD21 ASN A 46 25.436 34.873 10.327 1.00 0.00 H new ATOM 0 HD22 ASN A 46 24.237 35.827 11.207 1.00 0.00 H new ATOM 933 N TYR A 47 21.760 32.080 14.270 1.00 0.00 N ATOM 934 CA TYR A 47 21.600 30.740 14.850 1.00 0.00 C ATOM 935 C TYR A 47 21.060 29.670 13.890 1.00 0.00 C ATOM 936 O TYR A 47 19.910 29.760 13.460 1.00 0.00 O ATOM 937 CB TYR A 47 20.750 30.930 16.110 1.00 0.00 C ATOM 938 CG TYR A 47 20.450 29.650 16.890 1.00 0.00 C ATOM 939 CD1 TYR A 47 21.490 28.830 17.370 1.00 0.00 C ATOM 940 CD2 TYR A 47 19.120 29.200 16.820 1.00 0.00 C ATOM 941 CE1 TYR A 47 21.200 27.500 17.720 1.00 0.00 C ATOM 942 CE2 TYR A 47 18.810 27.880 17.200 1.00 0.00 C ATOM 943 CZ TYR A 47 19.860 27.050 17.640 1.00 0.00 C ATOM 944 OH TYR A 47 19.550 25.830 18.160 1.00 0.00 O ATOM 0 H TYR A 47 21.348 32.814 14.847 1.00 0.00 H new ATOM 0 HA TYR A 47 22.578 30.324 15.092 1.00 0.00 H new ATOM 0 HB2 TYR A 47 21.261 31.629 16.772 1.00 0.00 H new ATOM 0 HB3 TYR A 47 19.805 31.393 15.826 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.494 29.217 17.467 1.00 0.00 H new ATOM 0 HD2 TYR A 47 18.340 29.863 16.477 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.985 26.833 18.044 1.00 0.00 H new ATOM 0 HE2 TYR A 47 17.795 27.514 17.155 1.00 0.00 H new ATOM 0 HH TYR A 47 20.337 25.247 18.118 1.00 0.00 H new ATOM 947 N ILE A 48 21.780 28.540 13.950 1.00 0.00 N ATOM 948 CA ILE A 48 21.520 27.310 13.180 1.00 0.00 C ATOM 949 C ILE A 48 21.020 26.220 14.160 1.00 0.00 C ATOM 950 O ILE A 48 21.830 25.610 14.860 1.00 0.00 O ATOM 951 CB ILE A 48 22.690 26.740 12.360 1.00 0.00 C ATOM 952 CG1 ILE A 48 23.290 27.810 11.440 1.00 0.00 C ATOM 953 CG2 ILE A 48 22.190 25.530 11.530 1.00 0.00 C ATOM 954 CD1 ILE A 48 24.590 27.340 10.790 1.00 0.00 C ATOM 0 H ILE A 48 22.593 28.452 14.560 1.00 0.00 H new ATOM 0 HA ILE A 48 20.782 27.599 12.432 1.00 0.00 H new ATOM 0 HB ILE A 48 23.474 26.414 13.043 1.00 0.00 H new ATOM 0 HG12 ILE A 48 22.569 28.067 10.664 1.00 0.00 H new ATOM 0 HG13 ILE A 48 23.479 28.717 12.014 1.00 0.00 H new ATOM 0 HG21 ILE A 48 23.016 25.123 10.947 1.00 0.00 H new ATOM 0 HG22 ILE A 48 21.806 24.762 12.201 1.00 0.00 H new ATOM 0 HG23 ILE A 48 21.396 25.854 10.857 1.00 0.00 H new ATOM 0 HD11 ILE A 48 24.981 28.128 10.147 1.00 0.00 H new ATOM 0 HD12 ILE A 48 25.321 27.108 11.565 1.00 0.00 H new ATOM 0 HD13 ILE A 48 24.397 26.448 10.194 1.00 0.00 H new ATOM 956 N PRO A 49 19.710 25.990 14.170 1.00 0.00 N ATOM 957 CA PRO A 49 19.060 24.890 14.910 1.00 0.00 C ATOM 958 C PRO A 49 19.640 23.510 14.600 1.00 0.00 C ATOM 959 O PRO A 49 19.760 23.140 13.430 1.00 0.00 O ATOM 960 CB PRO A 49 17.610 24.990 14.460 1.00 0.00 C ATOM 961 CG PRO A 49 17.390 26.490 14.310 1.00 0.00 C ATOM 962 CD PRO A 49 18.690 26.910 13.630 1.00 0.00 C ATOM 0 HA PRO A 49 19.204 24.989 15.986 1.00 0.00 H new ATOM 0 HB2 PRO A 49 17.444 24.463 13.520 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.931 24.556 15.193 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.514 26.719 13.703 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.249 26.984 15.271 1.00 0.00 H new ATOM 0 HD2 PRO A 49 18.615 26.826 12.546 1.00 0.00 H new ATOM 0 HD3 PRO A 49 18.936 27.948 13.853 1.00 0.00 H new ATOM 963 N ASN A 50 20.220 22.920 15.650 1.00 0.00 N ATOM 964 CA ASN A 50 20.850 21.580 15.700 1.00 0.00 C ATOM 965 C ASN A 50 22.360 21.540 15.390 1.00 0.00 C ATOM 966 O ASN A 50 22.980 20.500 15.630 1.00 0.00 O ATOM 967 CB ASN A 50 20.150 20.440 14.940 1.00 0.00 C ATOM 968 CG ASN A 50 18.800 20.030 15.540 1.00 0.00 C ATOM 969 OD1 ASN A 50 17.740 20.340 15.010 1.00 0.00 O ATOM 970 ND2 ASN A 50 18.790 19.260 16.610 1.00 0.00 N ATOM 0 H ASN A 50 20.270 23.391 16.553 1.00 0.00 H new ATOM 0 HA ASN A 50 20.706 21.380 16.762 1.00 0.00 H new ATOM 0 HB2 ASN A 50 19.998 20.746 13.905 1.00 0.00 H new ATOM 0 HB3 ASN A 50 20.808 19.571 14.922 1.00 0.00 H new ATOM 0 HD21 ASN A 50 17.904 18.927 16.990 1.00 0.00 H new ATOM 0 HD22 ASN A 50 19.668 18.997 17.057 1.00 0.00 H new ATOM 974 N ARG A 51 22.930 22.590 14.800 1.00 0.00 N ATOM 975 CA ARG A 51 24.390 22.580 14.560 1.00 0.00 C ATOM 976 C ARG A 51 25.100 23.850 15.040 1.00 0.00 C ATOM 977 O ARG A 51 26.320 23.720 15.290 1.00 0.00 O ATOM 978 CB ARG A 51 24.730 22.340 13.080 1.00 0.00 C ATOM 979 CG ARG A 51 24.750 20.870 12.630 1.00 0.00 C ATOM 980 CD ARG A 51 25.740 19.980 13.390 1.00 0.00 C ATOM 981 NE ARG A 51 27.140 20.390 13.220 1.00 0.00 N ATOM 982 CZ ARG A 51 28.150 19.870 13.950 1.00 0.00 C ATOM 983 NH1 ARG A 51 27.950 18.830 14.750 1.00 0.00 N ATOM 984 NH2 ARG A 51 29.390 20.340 13.830 1.00 0.00 N ATOM 985 OXT ARG A 51 24.530 24.930 14.790 1.00 0.00 O ATOM 0 H ARG A 51 22.438 23.428 14.488 1.00 0.00 H new ATOM 0 HA ARG A 51 24.760 21.747 15.157 1.00 0.00 H new ATOM 0 HB2 ARG A 51 24.006 22.878 12.468 1.00 0.00 H new ATOM 0 HB3 ARG A 51 25.708 22.777 12.875 1.00 0.00 H new ATOM 0 HG2 ARG A 51 23.748 20.456 12.744 1.00 0.00 H new ATOM 0 HG3 ARG A 51 24.991 20.833 11.568 1.00 0.00 H new ATOM 0 HD2 ARG A 51 25.491 19.995 14.451 1.00 0.00 H new ATOM 0 HD3 ARG A 51 25.627 18.950 13.051 1.00 0.00 H new ATOM 0 HE ARG A 51 27.359 21.099 12.520 1.00 0.00 H new ATOM 0 HH11 ARG A 51 27.022 18.411 14.820 1.00 0.00 H new ATOM 0 HH12 ARG A 51 28.724 18.449 15.295 1.00 0.00 H new ATOM 0 HH21 ARG A 51 29.586 21.102 13.181 1.00 0.00 H new ATOM 0 HH22 ARG A 51 30.144 19.938 14.387 1.00 0.00 H new TER 992 ARG A 51 HETATM 993 NA NA C 12 16.260 23.720 18.910 1.00 0.00 NA HETATM 994 O HOH B 835 19.850 26.680 33.020 1.00 0.00 O HETATM 997 O HOH B1026 8.460 29.650 39.060 1.00 0.00 O HETATM 1000 O HOH B1417 11.340 36.480 36.160 1.00 0.00 O HETATM 1003 O HOH B1632 9.240 32.250 36.410 1.00 0.00 O HETATM 1006 O HOH B1924 17.300 15.020 16.580 1.00 0.00 O HETATM 1009 O HOH B2488 25.040 25.940 32.620 1.00 0.00 O HETATM 1012 O HOH B2504 10.230 33.610 38.760 1.00 0.00 O HETATM 1015 O HOH B2561 24.170 31.850 33.870 1.00 0.00 O HETATM 1018 O HOH B2639 20.330 34.690 34.970 1.00 0.00 O HETATM 1021 O HOH B2869 20.450 15.490 17.620 1.00 0.00 O HETATM 1024 O HOH B3222 27.210 30.220 31.760 1.00 0.00 O HETATM 1027 O HOH B3293 17.620 35.240 36.380 1.00 0.00 O HETATM 1030 O HOH C 327 19.190 17.630 19.270 1.00 0.00 O HETATM 1033 O HOH C 827 10.030 19.550 21.880 1.00 0.00 O HETATM 1036 O HOH C 923 17.630 24.770 20.160 1.00 0.00 O HETATM 1039 O HOH C1041 9.720 20.420 33.120 1.00 0.00 O HETATM 1042 O HOH C1046 13.770 23.410 34.090 1.00 0.00 O HETATM 1045 O HOH C1830 29.220 23.780 15.410 1.00 0.00 O HETATM 1048 O HOH C1959 26.820 17.410 25.340 1.00 0.00 O HETATM 1051 O HOH C1993 30.970 23.530 22.110 1.00 0.00 O HETATM 1054 O HOH C2471 22.920 22.570 22.780 1.00 0.00 O HETATM 1057 O HOH C2518 8.990 20.940 27.510 1.00 0.00 O HETATM 1060 O HOH C2570 26.760 20.210 21.950 1.00 0.00 O HETATM 1063 O HOH A 52 21.650 18.570 17.310 1.00 0.00 O HETATM 1066 O HOH A 53 14.510 23.890 17.760 1.00 0.00 O HETATM 1069 O HOH A 54 10.250 25.780 40.110 1.00 0.00 O HETATM 1072 O HOH A 55 16.680 22.390 27.940 1.00 0.00 O HETATM 1075 O HOH A 56 9.310 22.490 24.900 1.00 0.00 O HETATM 1078 O HOH A 57 16.660 21.960 17.620 1.00 0.00 O HETATM 1081 O HOH A 58 16.590 18.980 18.620 1.00 0.00 O HETATM 1084 O HOH A 59 17.560 33.900 32.820 1.00 0.00 O HETATM 1087 O HOH A 60 16.400 27.600 32.270 1.00 0.00 O HETATM 1090 O HOH A 61 11.430 22.110 34.630 1.00 0.00 O HETATM 1093 O HOH A 62 13.340 25.120 37.320 1.00 0.00 O HETATM 1096 O HOH A 63 12.950 33.600 34.310 1.00 0.00 O HETATM 1099 O HOH A 64 30.670 19.500 16.170 1.00 0.00 O HETATM 1102 O HOH A 65 33.140 20.790 16.330 1.00 0.00 O HETATM 1105 O HOH A 66 25.770 17.510 15.790 1.00 0.00 O HETATM 1108 O HOH A 67 25.870 20.080 26.020 1.00 0.00 O HETATM 1111 O HOH A 68 23.280 19.710 29.590 1.00 0.00 O HETATM 1114 O HOH A 69 13.660 26.110 33.530 1.00 0.00 O HETATM 1117 O HOH A 70 23.390 23.170 30.810 1.00 0.00 O HETATM 1120 O HOH A 71 22.150 31.070 32.160 1.00 0.00 O HETATM 1123 O HOH A 72 30.140 25.470 20.070 1.00 0.00 O HETATM 1126 O HOH A 73 29.660 20.790 22.690 1.00 0.00 O HETATM 1129 O HOH A 74 24.720 20.740 23.650 1.00 0.00 O HETATM 1132 O HOH A 75 11.330 24.730 35.270 1.00 0.00 O HETATM 1135 O HOH A 76 16.550 37.270 38.760 1.00 0.00 O HETATM 1138 O HOH A 77 14.290 37.710 37.220 1.00 0.00 O