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*** NMA_5D142 ***elNémo ID: 2503020442281037407Job options:ID = 2503020442281037407 JOBID = NMA_5D142 USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = on DORMSD = on NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER NMA_5D142 REMARK GENERATED BY TRJCONV TITLE Title t= 200.00000 step= 100000 REMARK THIS IS A SIMULATION BOX CRYST1 58.323 58.323 58.323 90.00 90.00 90.00 P 1 1 MODEL 1 ATOM 1 N LYS 1 40.150 18.620 22.150 1.00 0.00 N ATOM 2 HT1 LYS 1 40.970 19.100 21.740 1.00 0.00 H ATOM 3 HT2 LYS 1 39.400 19.240 22.510 1.00 0.00 H ATOM 4 HT3 LYS 1 39.730 18.090 21.360 1.00 0.00 H ATOM 5 CA LYS 1 40.520 17.610 23.140 1.00 0.00 C ATOM 6 HA LYS 1 39.580 17.320 23.600 1.00 0.00 H ATOM 7 CB LYS 1 41.350 16.400 22.500 1.00 0.00 C ATOM 8 HB1 LYS 1 42.450 16.370 22.630 1.00 0.00 H ATOM 9 HB2 LYS 1 41.190 16.380 21.400 1.00 0.00 H ATOM 10 CG LYS 1 40.810 15.040 23.170 1.00 0.00 C ATOM 11 HG1 LYS 1 41.510 14.250 22.800 1.00 0.00 H ATOM 12 HG2 LYS 1 39.810 14.800 22.760 1.00 0.00 H ATOM 13 CD LYS 1 40.690 15.060 24.740 1.00 0.00 C ATOM 14 HD1 LYS 1 40.080 15.960 24.980 1.00 0.00 H ATOM 15 HD2 LYS 1 41.650 15.140 25.290 1.00 0.00 H ATOM 16 CE LYS 1 39.960 13.900 25.360 1.00 0.00 C ATOM 17 HE1 LYS 1 40.490 13.010 24.960 1.00 0.00 H ATOM 18 HE2 LYS 1 38.860 13.850 25.230 1.00 0.00 H ATOM 19 NZ LYS 1 40.150 13.800 26.860 1.00 0.00 N ATOM 20 HZ1 LYS 1 41.120 13.680 27.220 1.00 0.00 H ATOM 21 HZ2 LYS 1 39.470 13.060 27.140 1.00 0.00 H ATOM 22 HZ3 LYS 1 39.840 14.700 27.290 1.00 0.00 H ATOM 23 C LYS 1 41.240 18.530 24.160 1.00 0.00 C ATOM 24 O LYS 1 40.750 19.600 24.400 1.00 0.00 O ATOM 25 N GLU 2 42.380 18.120 24.700 1.00 0.00 N ATOM 26 HN GLU 2 42.870 17.310 24.390 1.00 0.00 H ATOM 27 CA GLU 2 43.120 19.040 25.580 1.00 0.00 C ATOM 28 HA GLU 2 42.430 19.400 26.330 1.00 0.00 H ATOM 29 CB GLU 2 44.090 18.250 26.480 1.00 0.00 C ATOM 30 HB1 GLU 2 44.630 18.950 27.150 1.00 0.00 H ATOM 31 HB2 GLU 2 44.790 17.660 25.860 1.00 0.00 H ATOM 32 CG GLU 2 43.440 17.220 27.420 1.00 0.00 C ATOM 33 HG1 GLU 2 42.810 16.530 26.820 1.00 0.00 H ATOM 34 HG2 GLU 2 42.890 17.690 28.270 1.00 0.00 H ATOM 35 CD GLU 2 44.430 16.420 28.260 1.00 0.00 C ATOM 36 OE1 GLU 2 45.110 16.900 29.160 1.00 0.00 O ATOM 37 OE2 GLU 2 44.650 15.190 27.910 1.00 0.00 O ATOM 38 C GLU 2 43.860 20.270 24.950 1.00 0.00 C ATOM 39 O GLU 2 44.790 20.170 24.130 1.00 0.00 O ATOM 40 N LEU 3 43.480 21.420 25.480 1.00 0.00 N ATOM 41 HN LEU 3 42.800 21.490 26.220 1.00 0.00 H ATOM 42 CA LEU 3 44.090 22.700 25.190 1.00 0.00 C ATOM 43 HA LEU 3 45.080 22.560 24.780 1.00 0.00 H ATOM 44 CB LEU 3 43.280 23.590 24.270 1.00 0.00 C ATOM 45 HB1 LEU 3 43.930 24.420 23.930 1.00 0.00 H ATOM 46 HB2 LEU 3 42.340 23.900 24.760 1.00 0.00 H ATOM 47 CG LEU 3 42.860 22.940 22.890 1.00 0.00 C ATOM 48 HG LEU 3 42.320 21.990 23.130 1.00 0.00 H ATOM 49 CD1 LEU 3 41.800 23.880 22.190 1.00 0.00 C ATOM 50 HD11 LEU 3 41.210 23.390 21.390 1.00 0.00 H ATOM 51 HD12 LEU 3 42.350 24.720 21.710 1.00 0.00 H ATOM 52 HD13 LEU 3 41.080 24.280 22.930 1.00 0.00 H ATOM 53 CD2 LEU 3 43.980 22.560 21.860 1.00 0.00 C ATOM 54 HD21 LEU 3 44.570 23.500 21.800 1.00 0.00 H ATOM 55 HD22 LEU 3 43.660 22.300 20.840 1.00 0.00 H ATOM 56 HD23 LEU 3 44.610 21.740 22.270 1.00 0.00 H ATOM 57 C LEU 3 44.250 23.360 26.540 1.00 0.00 C ATOM 58 O LEU 3 43.540 23.030 27.490 1.00 0.00 O ATOM 59 N ARG 4 45.230 24.330 26.610 1.00 0.00 N ATOM 60 HN ARG 4 45.780 24.390 25.780 1.00 0.00 H ATOM 61 CA ARG 4 45.500 25.390 27.620 1.00 0.00 C ATOM 62 HA ARG 4 45.840 24.810 28.460 1.00 0.00 H ATOM 63 CB ARG 4 46.540 26.360 27.030 1.00 0.00 C ATOM 64 HB1 ARG 4 47.410 25.760 26.680 1.00 0.00 H ATOM 65 HB2 ARG 4 46.970 27.070 27.770 1.00 0.00 H ATOM 66 CG ARG 4 45.930 27.210 25.830 1.00 0.00 C ATOM 67 HG1 ARG 4 45.230 27.940 26.290 1.00 0.00 H ATOM 68 HG2 ARG 4 45.400 26.500 25.150 1.00 0.00 H ATOM 69 CD ARG 4 47.000 28.050 24.930 1.00 0.00 C ATOM 70 HD1 ARG 4 47.520 27.280 24.330 1.00 0.00 H ATOM 71 HD2 ARG 4 47.770 28.620 25.500 1.00 0.00 H ATOM 72 NE ARG 4 46.140 28.950 24.130 1.00 0.00 N ATOM 73 HE ARG 4 45.410 28.440 23.660 1.00 0.00 H ATOM 74 CZ ARG 4 46.340 30.180 23.650 1.00 0.00 C ATOM 75 NH1 ARG 4 47.420 30.860 23.860 1.00 0.00 N ATOM 76 HH11 ARG 4 48.080 30.460 24.500 1.00 0.00 H ATOM 77 HH12 ARG 4 47.550 31.790 23.510 1.00 0.00 H ATOM 78 NH2 ARG 4 45.400 30.780 22.900 1.00 0.00 N ATOM 79 HH21 ARG 4 44.660 30.190 22.580 1.00 0.00 H ATOM 80 HH22 ARG 4 45.710 31.620 22.450 1.00 0.00 H ATOM 81 C ARG 4 44.190 26.110 28.050 1.00 0.00 C ATOM 82 O ARG 4 43.130 26.000 27.390 1.00 0.00 O ATOM 83 N CYS 5 44.270 26.950 29.160 1.00 0.00 N ATOM 84 HN CYS 5 44.970 26.920 29.880 1.00 0.00 H ATOM 85 CA CYS 5 43.210 27.960 29.420 1.00 0.00 C ATOM 86 HA CYS 5 42.280 27.420 29.570 1.00 0.00 H ATOM 87 CB CYS 5 43.480 28.780 30.690 1.00 0.00 C ATOM 88 HB1 CYS 5 42.600 29.440 30.800 1.00 0.00 H ATOM 89 HB2 CYS 5 44.420 29.340 30.490 1.00 0.00 H ATOM 90 SG CYS 5 43.590 27.830 32.220 1.00 0.00 S ATOM 91 C CYS 5 42.940 28.950 28.270 1.00 0.00 C ATOM 92 O CYS 5 43.810 29.490 27.610 1.00 0.00 O ATOM 93 N GLN 6 41.620 29.270 27.950 1.00 0.00 N ATOM 94 HN GLN 6 40.810 29.000 28.470 1.00 0.00 H ATOM 95 CA GLN 6 41.250 29.710 26.630 1.00 0.00 C ATOM 96 HA GLN 6 42.120 29.800 26.000 1.00 0.00 H ATOM 97 CB GLN 6 40.200 28.740 26.090 1.00 0.00 C ATOM 98 HB1 GLN 6 39.860 29.010 25.060 1.00 0.00 H ATOM 99 HB2 GLN 6 39.270 28.600 26.680 1.00 0.00 H ATOM 100 CG GLN 6 40.710 27.300 25.950 1.00 0.00 C ATOM 101 HG1 GLN 6 40.890 26.860 26.960 1.00 0.00 H ATOM 102 HG2 GLN 6 41.700 27.370 25.440 1.00 0.00 H ATOM 103 CD GLN 6 39.800 26.440 25.120 1.00 0.00 C ATOM 104 OE1 GLN 6 39.070 27.000 24.290 1.00 0.00 O ATOM 105 NE2 GLN 6 39.560 25.160 25.470 1.00 0.00 N ATOM 106 HE21 GLN 6 40.140 24.750 26.170 1.00 0.00 H ATOM 107 HE22 GLN 6 38.870 24.710 24.900 1.00 0.00 H ATOM 108 C GLN 6 40.510 31.110 26.840 1.00 0.00 C ATOM 109 O GLN 6 40.580 31.980 26.000 1.00 0.00 O ATOM 110 N CYS 7 39.700 31.330 27.910 1.00 0.00 N ATOM 111 HN CYS 7 39.580 30.670 28.650 1.00 0.00 H ATOM 112 CA CYS 7 38.900 32.620 27.900 1.00 0.00 C ATOM 113 HA CYS 7 38.520 32.850 26.910 1.00 0.00 H ATOM 114 CB CYS 7 37.670 32.430 28.890 1.00 0.00 C ATOM 115 HB1 CYS 7 37.180 33.400 29.130 1.00 0.00 H ATOM 116 HB2 CYS 7 38.130 31.960 29.790 1.00 0.00 H ATOM 117 SG CYS 7 36.380 31.200 28.300 1.00 0.00 S ATOM 118 C CYS 7 39.680 33.750 28.400 1.00 0.00 C ATOM 119 O CYS 7 40.030 33.800 29.610 1.00 0.00 O ATOM 120 N ILE 8 40.050 34.660 27.460 1.00 0.00 N ATOM 121 HN ILE 8 39.790 34.590 26.500 1.00 0.00 H ATOM 122 CA ILE 8 40.850 35.860 27.780 1.00 0.00 C ATOM 123 HA ILE 8 41.560 35.520 28.510 1.00 0.00 H ATOM 124 CB ILE 8 41.600 36.410 26.620 1.00 0.00 C ATOM 125 HB ILE 8 41.990 37.420 26.880 1.00 0.00 H ATOM 126 CG2 ILE 8 42.770 35.420 26.220 1.00 0.00 C ATOM 127 HG21 ILE 8 43.440 35.240 27.080 1.00 0.00 H ATOM 128 HG22 ILE 8 43.350 36.020 25.490 1.00 0.00 H ATOM 129 HG23 ILE 8 42.290 34.560 25.700 1.00 0.00 H ATOM 130 CG1 ILE 8 40.690 36.580 25.340 1.00 0.00 C ATOM 131 HG11 ILE 8 39.710 36.910 25.750 1.00 0.00 H ATOM 132 HG12 ILE 8 40.410 35.570 24.980 1.00 0.00 H ATOM 133 CD ILE 8 41.090 37.650 24.280 1.00 0.00 C ATOM 134 HD1 ILE 8 40.260 37.650 23.550 1.00 0.00 H ATOM 135 HD2 ILE 8 41.960 37.300 23.690 1.00 0.00 H ATOM 136 HD3 ILE 8 41.320 38.650 24.720 1.00 0.00 H ATOM 137 C ILE 8 40.010 36.970 28.490 1.00 0.00 C ATOM 138 O ILE 8 40.560 37.660 29.380 1.00 0.00 O ATOM 139 N LYS 9 38.720 37.010 28.160 1.00 0.00 N ATOM 140 HN LYS 9 38.350 36.470 27.400 1.00 0.00 H ATOM 141 CA LYS 9 37.750 37.760 28.980 1.00 0.00 C ATOM 142 HA LYS 9 37.950 37.520 30.010 1.00 0.00 H ATOM 143 CB LYS 9 37.910 39.320 28.770 1.00 0.00 C ATOM 144 HB1 LYS 9 38.930 39.570 29.140 1.00 0.00 H ATOM 145 HB2 LYS 9 37.160 39.890 29.360 1.00 0.00 H ATOM 146 CG LYS 9 37.900 39.900 27.410 1.00 0.00 C ATOM 147 HG1 LYS 9 38.410 39.310 26.610 1.00 0.00 H ATOM 148 HG2 LYS 9 38.390 40.900 27.380 1.00 0.00 H ATOM 149 CD LYS 9 36.500 40.190 26.920 1.00 0.00 C ATOM 150 HD1 LYS 9 36.170 41.100 27.470 1.00 0.00 H ATOM 151 HD2 LYS 9 35.750 39.390 27.080 1.00 0.00 H ATOM 152 CE LYS 9 36.410 40.640 25.420 1.00 0.00 C ATOM 153 HE1 LYS 9 36.600 39.730 24.810 1.00 0.00 H ATOM 154 HE2 LYS 9 37.110 41.400 25.020 1.00 0.00 H ATOM 155 NZ LYS 9 35.030 41.050 25.200 1.00 0.00 N ATOM 156 HZ1 LYS 9 34.810 41.850 25.820 1.00 0.00 H ATOM 157 HZ2 LYS 9 34.410 40.220 25.280 1.00 0.00 H ATOM 158 HZ3 LYS 9 34.960 41.370 24.210 1.00 0.00 H ATOM 159 C LYS 9 36.350 37.270 28.790 1.00 0.00 C ATOM 160 O LYS 9 35.870 36.910 27.720 1.00 0.00 O ATOM 161 N THR 10 35.570 37.220 29.870 1.00 0.00 N ATOM 162 HN THR 10 35.980 37.240 30.780 1.00 0.00 H ATOM 163 CA THR 10 34.140 37.030 29.860 1.00 0.00 C ATOM 164 HA THR 10 33.920 36.160 29.260 1.00 0.00 H ATOM 165 CB THR 10 33.590 36.710 31.310 1.00 0.00 C ATOM 166 HB THR 10 32.490 36.580 31.210 1.00 0.00 H ATOM 167 OG1 THR 10 33.870 37.740 32.230 1.00 0.00 O ATOM 168 HG1 THR 10 34.380 37.390 32.970 1.00 0.00 H ATOM 169 CG2 THR 10 34.270 35.420 31.730 1.00 0.00 C ATOM 170 HG21 THR 10 35.360 35.530 31.860 1.00 0.00 H ATOM 171 HG22 THR 10 34.070 34.570 31.030 1.00 0.00 H ATOM 172 HG23 THR 10 33.800 35.150 32.690 1.00 0.00 H ATOM 173 C THR 10 33.340 38.260 29.310 1.00 0.00 C ATOM 174 O THR 10 33.640 39.470 29.570 1.00 0.00 O ATOM 175 N TYR 11 32.230 37.990 28.680 1.00 0.00 N ATOM 176 HN TYR 11 32.140 37.010 28.490 1.00 0.00 H ATOM 177 CA TYR 11 31.210 38.930 28.220 1.00 0.00 C ATOM 178 HA TYR 11 31.830 39.620 27.660 1.00 0.00 H ATOM 179 CB TYR 11 30.230 38.210 27.300 1.00 0.00 C ATOM 180 HB1 TYR 11 29.670 37.470 27.920 1.00 0.00 H ATOM 181 HB2 TYR 11 30.720 37.660 26.470 1.00 0.00 H ATOM 182 CG TYR 11 29.290 39.090 26.520 1.00 0.00 C ATOM 183 CD1 TYR 11 29.640 40.270 25.830 1.00 0.00 C ATOM 184 HD1 TYR 11 30.620 40.730 25.840 1.00 0.00 H ATOM 185 CE1 TYR 11 28.760 40.980 25.010 1.00 0.00 C ATOM 186 HE1 TYR 11 29.060 41.930 24.580 1.00 0.00 H ATOM 187 CZ TYR 11 27.560 40.450 24.690 1.00 0.00 C ATOM 188 OH TYR 11 26.600 41.240 24.030 1.00 0.00 O ATOM 189 HH TYR 11 25.690 41.010 24.250 1.00 0.00 H ATOM 190 CD2 TYR 11 27.980 38.670 26.330 1.00 0.00 C ATOM 191 HD2 TYR 11 27.690 37.700 26.710 1.00 0.00 H ATOM 192 CE2 TYR 11 27.160 39.210 25.330 1.00 0.00 C ATOM 193 HE2 TYR 11 26.160 38.820 25.210 1.00 0.00 H ATOM 194 C TYR 11 30.540 39.760 29.290 1.00 0.00 C ATOM 195 O TYR 11 30.210 39.310 30.410 1.00 0.00 O ATOM 196 N SER 12 30.410 41.070 28.990 1.00 0.00 N ATOM 197 HN SER 12 30.540 41.380 28.060 1.00 0.00 H ATOM 198 CA SER 12 30.070 42.000 30.020 1.00 0.00 C ATOM 199 HA SER 12 30.330 41.700 31.030 1.00 0.00 H ATOM 200 CB SER 12 30.810 43.440 29.820 1.00 0.00 C ATOM 201 HB1 SER 12 31.840 43.110 29.580 1.00 0.00 H ATOM 202 HB2 SER 12 30.820 44.100 30.710 1.00 0.00 H ATOM 203 OG SER 12 30.220 44.160 28.730 1.00 0.00 O ATOM 204 HG1 SER 12 30.900 44.170 28.050 1.00 0.00 H ATOM 205 C SER 12 28.560 42.330 29.990 1.00 0.00 C ATOM 206 O SER 12 28.050 43.030 30.920 1.00 0.00 O ATOM 207 N LYS 13 27.870 41.950 28.900 1.00 0.00 N ATOM 208 HN LYS 13 28.240 41.560 28.060 1.00 0.00 H ATOM 209 CA LYS 13 26.510 42.420 28.780 1.00 0.00 C ATOM 210 HA LYS 13 26.250 43.180 29.500 1.00 0.00 H ATOM 211 CB LYS 13 26.220 42.940 27.330 1.00 0.00 C ATOM 212 HB1 LYS 13 25.200 43.320 27.130 1.00 0.00 H ATOM 213 HB2 LYS 13 26.370 42.080 26.630 1.00 0.00 H ATOM 214 CG LYS 13 27.110 44.120 26.820 1.00 0.00 C ATOM 215 HG1 LYS 13 26.970 44.340 25.740 1.00 0.00 H ATOM 216 HG2 LYS 13 28.150 43.880 27.120 1.00 0.00 H ATOM 217 CD LYS 13 26.680 45.450 27.570 1.00 0.00 C ATOM 218 HD1 LYS 13 26.690 45.280 28.670 1.00 0.00 H ATOM 219 HD2 LYS 13 25.690 45.820 27.230 1.00 0.00 H ATOM 220 CE LYS 13 27.700 46.580 27.350 1.00 0.00 C ATOM 221 HE1 LYS 13 28.610 46.190 27.860 1.00 0.00 H ATOM 222 HE2 LYS 13 27.360 47.490 27.890 1.00 0.00 H ATOM 223 NZ LYS 13 28.000 46.920 25.910 1.00 0.00 N ATOM 224 HZ1 LYS 13 28.300 46.060 25.410 1.00 0.00 H ATOM 225 HZ2 LYS 13 28.910 47.420 25.940 1.00 0.00 H ATOM 226 HZ3 LYS 13 27.240 47.400 25.390 1.00 0.00 H ATOM 227 C LYS 13 25.540 41.180 28.900 1.00 0.00 C ATOM 228 O LYS 13 25.830 40.170 28.230 1.00 0.00 O ATOM 229 N PRO 14 24.470 41.210 29.670 1.00 0.00 N ATOM 230 CD PRO 14 24.420 41.990 30.930 1.00 0.00 C ATOM 231 HD1 PRO 14 24.520 43.050 30.600 1.00 0.00 H ATOM 232 HD2 PRO 14 25.320 41.900 31.580 1.00 0.00 H ATOM 233 CA PRO 14 23.340 40.310 29.590 1.00 0.00 C ATOM 234 HA PRO 14 23.610 39.380 30.060 1.00 0.00 H ATOM 235 CB PRO 14 22.300 41.010 30.540 1.00 0.00 C ATOM 236 HB1 PRO 14 21.520 40.400 31.030 1.00 0.00 H ATOM 237 HB2 PRO 14 21.770 41.790 29.950 1.00 0.00 H ATOM 238 CG PRO 14 23.200 41.670 31.640 1.00 0.00 C ATOM 239 HG1 PRO 14 22.850 42.660 32.020 1.00 0.00 H ATOM 240 HG2 PRO 14 23.510 41.030 32.490 1.00 0.00 H ATOM 241 C PRO 14 22.740 40.000 28.290 1.00 0.00 C ATOM 242 O PRO 14 22.850 40.750 27.320 1.00 0.00 O ATOM 243 N PHE 15 22.080 38.830 28.110 1.00 0.00 N ATOM 244 HN PHE 15 22.010 38.130 28.820 1.00 0.00 H ATOM 245 CA PHE 15 21.490 38.440 26.850 1.00 0.00 C ATOM 246 HA PHE 15 20.900 39.220 26.400 1.00 0.00 H ATOM 247 CB PHE 15 22.550 37.970 25.790 1.00 0.00 C ATOM 248 HB1 PHE 15 23.330 38.730 25.610 1.00 0.00 H ATOM 249 HB2 PHE 15 22.050 37.720 24.830 1.00 0.00 H ATOM 250 CG PHE 15 23.360 36.870 26.400 1.00 0.00 C ATOM 251 CD1 PHE 15 24.630 37.170 27.050 1.00 0.00 C ATOM 252 HD1 PHE 15 25.040 38.160 27.060 1.00 0.00 H ATOM 253 CE1 PHE 15 25.420 36.290 27.670 1.00 0.00 C ATOM 254 HE1 PHE 15 26.340 36.590 28.160 1.00 0.00 H ATOM 255 CZ PHE 15 24.980 34.980 27.770 1.00 0.00 C ATOM 256 HZ PHE 15 25.550 34.360 28.440 1.00 0.00 H ATOM 257 CD2 PHE 15 22.980 35.510 26.440 1.00 0.00 C ATOM 258 HD2 PHE 15 22.020 35.220 26.030 1.00 0.00 H ATOM 259 CE2 PHE 15 23.780 34.600 27.160 1.00 0.00 C ATOM 260 HE2 PHE 15 23.420 33.590 27.270 1.00 0.00 H ATOM 261 C PHE 15 20.550 37.260 27.010 1.00 0.00 C ATOM 262 O PHE 15 20.540 36.570 28.040 1.00 0.00 O ATOM 263 N HSD 16 19.730 36.930 26.040 1.00 0.00 N ATOM 264 HN HSD 16 19.790 37.450 25.200 1.00 0.00 H ATOM 265 CA HSD 16 18.580 36.070 26.290 1.00 0.00 C ATOM 266 HA HSD 16 18.110 36.420 27.200 1.00 0.00 H ATOM 267 CB HSD 16 17.660 36.280 25.100 1.00 0.00 C ATOM 268 HB1 HSD 16 16.910 35.460 25.060 1.00 0.00 H ATOM 269 HB2 HSD 16 18.320 36.230 24.210 1.00 0.00 H ATOM 270 ND1 HSD 16 16.320 37.970 26.110 1.00 0.00 N ATOM 271 HD1 HSD 16 16.190 37.450 26.960 1.00 0.00 H ATOM 272 CG HSD 16 17.080 37.590 25.050 1.00 0.00 C ATOM 273 CE1 HSD 16 15.800 39.190 25.800 1.00 0.00 C ATOM 274 HE1 HSD 16 15.110 39.710 26.460 1.00 0.00 H ATOM 275 NE2 HSD 16 16.130 39.560 24.560 1.00 0.00 N ATOM 276 CD2 HSD 16 16.970 38.590 24.140 1.00 0.00 C ATOM 277 HD2 HSD 16 17.470 38.650 23.190 1.00 0.00 H ATOM 278 C HSD 16 19.000 34.580 26.330 1.00 0.00 C ATOM 279 O HSD 16 19.760 34.000 25.530 1.00 0.00 O ATOM 280 N PRO 17 18.540 33.730 27.240 1.00 0.00 N ATOM 281 CD PRO 17 17.470 34.090 28.160 1.00 0.00 C ATOM 282 HD1 PRO 17 16.690 34.730 27.710 1.00 0.00 H ATOM 283 HD2 PRO 17 17.990 34.530 29.040 1.00 0.00 H ATOM 284 CA PRO 17 18.640 32.280 27.160 1.00 0.00 C ATOM 285 HA PRO 17 19.680 32.010 27.110 1.00 0.00 H ATOM 286 CB PRO 17 18.070 31.740 28.490 1.00 0.00 C ATOM 287 HB1 PRO 17 18.830 31.900 29.280 1.00 0.00 H ATOM 288 HB2 PRO 17 17.760 30.680 28.410 1.00 0.00 H ATOM 289 CG PRO 17 16.880 32.700 28.620 1.00 0.00 C ATOM 290 HG1 PRO 17 16.120 32.400 27.860 1.00 0.00 H ATOM 291 HG2 PRO 17 16.430 32.770 29.630 1.00 0.00 H ATOM 292 C PRO 17 18.110 31.670 25.860 1.00 0.00 C ATOM 293 O PRO 17 18.560 30.610 25.420 1.00 0.00 O ATOM 294 N LYS 18 17.060 32.190 25.230 1.00 0.00 N ATOM 295 HN LYS 18 16.560 32.960 25.620 1.00 0.00 H ATOM 296 CA LYS 18 16.590 31.740 23.990 1.00 0.00 C ATOM 297 HA LYS 18 16.360 30.690 24.060 1.00 0.00 H ATOM 298 CB LYS 18 15.220 32.450 23.670 1.00 0.00 C ATOM 299 HB1 LYS 18 14.380 31.920 24.160 1.00 0.00 H ATOM 300 HB2 LYS 18 14.880 32.250 22.630 1.00 0.00 H ATOM 301 CG LYS 18 15.210 33.970 23.900 1.00 0.00 C ATOM 302 HG1 LYS 18 16.050 34.340 23.270 1.00 0.00 H ATOM 303 HG2 LYS 18 15.310 34.300 24.950 1.00 0.00 H ATOM 304 CD LYS 18 13.940 34.660 23.430 1.00 0.00 C ATOM 305 HD1 LYS 18 14.050 34.620 22.330 1.00 0.00 H ATOM 306 HD2 LYS 18 13.940 35.740 23.680 1.00 0.00 H ATOM 307 CE LYS 18 12.570 34.000 23.870 1.00 0.00 C ATOM 308 HE1 LYS 18 12.640 34.000 24.980 1.00 0.00 H ATOM 309 HE2 LYS 18 12.540 32.960 23.490 1.00 0.00 H ATOM 310 NZ LYS 18 11.410 34.830 23.630 1.00 0.00 N ATOM 311 HZ1 LYS 18 10.460 34.460 23.860 1.00 0.00 H ATOM 312 HZ2 LYS 18 11.570 35.030 22.620 1.00 0.00 H ATOM 313 HZ3 LYS 18 11.530 35.780 24.040 1.00 0.00 H ATOM 314 C LYS 18 17.490 31.980 22.780 1.00 0.00 C ATOM 315 O LYS 18 17.270 31.480 21.670 1.00 0.00 O ATOM 316 N PHE 19 18.420 32.910 22.970 1.00 0.00 N ATOM 317 HN PHE 19 18.510 33.400 23.830 1.00 0.00 H ATOM 318 CA PHE 19 19.380 33.280 21.900 1.00 0.00 C ATOM 319 HA PHE 19 18.950 33.040 20.940 1.00 0.00 H ATOM 320 CB PHE 19 19.600 34.840 21.960 1.00 0.00 C ATOM 321 HB1 PHE 19 20.320 34.900 22.800 1.00 0.00 H ATOM 322 HB2 PHE 19 18.670 35.390 22.210 1.00 0.00 H ATOM 323 CG PHE 19 20.300 35.420 20.730 1.00 0.00 C ATOM 324 CD1 PHE 19 19.730 35.530 19.480 1.00 0.00 C ATOM 325 HD1 PHE 19 18.690 35.320 19.290 1.00 0.00 H ATOM 326 CE1 PHE 19 20.560 36.210 18.490 1.00 0.00 C ATOM 327 HE1 PHE 19 20.250 36.290 17.460 1.00 0.00 H ATOM 328 CZ PHE 19 21.870 36.630 18.700 1.00 0.00 C ATOM 329 HZ PHE 19 22.470 37.150 17.970 1.00 0.00 H ATOM 330 CD2 PHE 19 21.690 35.760 20.950 1.00 0.00 C ATOM 331 HD2 PHE 19 22.060 35.600 21.950 1.00 0.00 H ATOM 332 CE2 PHE 19 22.450 36.430 19.960 1.00 0.00 C ATOM 333 HE2 PHE 19 23.430 36.840 20.130 1.00 0.00 H ATOM 334 C PHE 19 20.630 32.480 21.820 1.00 0.00 C ATOM 335 O PHE 19 21.300 32.380 20.800 1.00 0.00 O ATOM 336 N ILE 20 21.040 31.870 22.920 1.00 0.00 N ATOM 337 HN ILE 20 20.520 32.000 23.770 1.00 0.00 H ATOM 338 CA ILE 20 22.060 30.800 22.990 1.00 0.00 C ATOM 339 HA ILE 20 23.000 31.070 22.540 1.00 0.00 H ATOM 340 CB ILE 20 22.410 30.370 24.410 1.00 0.00 C ATOM 341 HB ILE 20 21.660 29.660 24.830 1.00 0.00 H ATOM 342 CG2 ILE 20 23.770 29.700 24.440 1.00 0.00 C ATOM 343 HG21 ILE 20 24.060 29.120 25.350 1.00 0.00 H ATOM 344 HG22 ILE 20 24.530 30.450 24.140 1.00 0.00 H ATOM 345 HG23 ILE 20 23.820 28.950 23.630 1.00 0.00 H ATOM 346 CG1 ILE 20 22.380 31.520 25.390 1.00 0.00 C ATOM 347 HG11 ILE 20 21.330 31.860 25.530 1.00 0.00 H ATOM 348 HG12 ILE 20 22.960 32.430 25.150 1.00 0.00 H ATOM 349 CD ILE 20 22.900 31.120 26.800 1.00 0.00 C ATOM 350 HD1 ILE 20 24.000 31.110 26.930 1.00 0.00 H ATOM 351 HD2 ILE 20 22.520 30.120 27.100 1.00 0.00 H ATOM 352 HD3 ILE 20 22.410 31.730 27.590 1.00 0.00 H ATOM 353 C ILE 20 21.620 29.640 22.160 1.00 0.00 C ATOM 354 O ILE 20 20.440 29.210 22.170 1.00 0.00 O ATOM 355 N LYS 21 22.520 28.950 21.410 1.00 0.00 N ATOM 356 HN LYS 21 23.460 29.280 21.340 1.00 0.00 H ATOM 357 CA LYS 21 22.200 27.690 20.760 1.00 0.00 C ATOM 358 HA LYS 21 21.150 27.430 20.870 1.00 0.00 H ATOM 359 CB LYS 21 22.310 27.740 19.200 1.00 0.00 C ATOM 360 HB1 LYS 21 21.450 28.310 18.790 1.00 0.00 H ATOM 361 HB2 LYS 21 22.280 26.760 18.680 1.00 0.00 H ATOM 362 CG LYS 21 23.620 28.330 18.670 1.00 0.00 C ATOM 363 HG1 LYS 21 24.370 27.670 19.170 1.00 0.00 H ATOM 364 HG2 LYS 21 23.770 29.370 19.010 1.00 0.00 H ATOM 365 CD LYS 21 23.950 28.300 17.140 1.00 0.00 C ATOM 366 HD1 LYS 21 25.000 28.660 17.080 1.00 0.00 H ATOM 367 HD2 LYS 21 23.350 29.090 16.630 1.00 0.00 H ATOM 368 CE LYS 21 23.960 26.960 16.500 1.00 0.00 C ATOM 369 HE1 LYS 21 22.980 26.440 16.480 1.00 0.00 H ATOM 370 HE2 LYS 21 24.660 26.280 17.030 1.00 0.00 H ATOM 371 NZ LYS 21 24.390 27.100 15.080 1.00 0.00 N ATOM 372 HZ1 LYS 21 23.680 27.320 14.350 1.00 0.00 H ATOM 373 HZ2 LYS 21 24.820 26.170 14.870 1.00 0.00 H ATOM 374 HZ3 LYS 21 25.080 27.870 15.030 1.00 0.00 H ATOM 375 C LYS 21 23.040 26.550 21.270 1.00 0.00 C ATOM 376 O LYS 21 22.500 25.420 21.350 1.00 0.00 O ATOM 377 N GLU 22 24.340 26.720 21.670 1.00 0.00 N ATOM 378 HN GLU 22 24.780 27.620 21.670 1.00 0.00 H ATOM 379 CA GLU 22 25.090 25.610 22.400 1.00 0.00 C ATOM 380 HA GLU 22 24.360 25.000 22.900 1.00 0.00 H ATOM 381 CB GLU 22 25.990 24.790 21.420 1.00 0.00 C ATOM 382 HB1 GLU 22 26.470 24.020 22.060 1.00 0.00 H ATOM 383 HB2 GLU 22 26.680 25.560 21.010 1.00 0.00 H ATOM 384 CG GLU 22 25.190 24.120 20.270 1.00 0.00 C ATOM 385 HG1 GLU 22 24.580 24.790 19.640 1.00 0.00 H ATOM 386 HG2 GLU 22 24.520 23.370 20.750 1.00 0.00 H ATOM 387 CD GLU 22 26.160 23.370 19.360 1.00 0.00 C ATOM 388 OE1 GLU 22 26.770 22.350 19.780 1.00 0.00 O ATOM 389 OE2 GLU 22 26.470 23.950 18.290 1.00 0.00 O ATOM 390 C GLU 22 25.890 26.000 23.640 1.00 0.00 C ATOM 391 O GLU 22 26.330 27.140 23.830 1.00 0.00 O ATOM 392 N LEU 23 26.230 25.060 24.600 1.00 0.00 N ATOM 393 HN LEU 23 26.110 24.090 24.380 1.00 0.00 H ATOM 394 CA LEU 23 27.010 25.340 25.800 1.00 0.00 C ATOM 395 HA LEU 23 27.320 26.370 25.750 1.00 0.00 H ATOM 396 CB LEU 23 26.250 25.000 27.130 1.00 0.00 C ATOM 397 HB1 LEU 23 25.760 24.010 27.000 1.00 0.00 H ATOM 398 HB2 LEU 23 25.570 25.850 27.330 1.00 0.00 H ATOM 399 CG LEU 23 27.080 24.860 28.450 1.00 0.00 C ATOM 400 HG LEU 23 27.940 24.170 28.260 1.00 0.00 H ATOM 401 CD1 LEU 23 27.550 26.270 28.820 1.00 0.00 C ATOM 402 HD11 LEU 23 26.590 26.810 28.920 1.00 0.00 H ATOM 403 HD12 LEU 23 28.120 26.780 28.020 1.00 0.00 H ATOM 404 HD13 LEU 23 27.940 26.310 29.860 1.00 0.00 H ATOM 405 CD2 LEU 23 26.190 24.150 29.540 1.00 0.00 C ATOM 406 HD21 LEU 23 26.720 23.860 30.480 1.00 0.00 H ATOM 407 HD22 LEU 23 25.760 23.210 29.140 1.00 0.00 H ATOM 408 HD23 LEU 23 25.400 24.850 29.870 1.00 0.00 H ATOM 409 C LEU 23 28.240 24.470 25.590 1.00 0.00 C ATOM 410 O LEU 23 28.120 23.370 25.050 1.00 0.00 O ATOM 411 N ARG 24 29.430 25.050 25.870 1.00 0.00 N ATOM 412 HN ARG 24 29.470 26.020 26.080 1.00 0.00 H ATOM 413 CA ARG 24 30.710 24.380 25.950 1.00 0.00 C ATOM 414 HA ARG 24 30.460 23.330 25.870 1.00 0.00 H ATOM 415 CB ARG 24 31.730 24.880 24.870 1.00 0.00 C ATOM 416 HB1 ARG 24 31.510 25.960 24.770 1.00 0.00 H ATOM 417 HB2 ARG 24 31.360 24.470 23.910 1.00 0.00 H ATOM 418 CG ARG 24 33.190 24.420 25.060 1.00 0.00 C ATOM 419 HG1 ARG 24 33.310 23.320 25.130 1.00 0.00 H ATOM 420 HG2 ARG 24 33.450 24.930 26.010 1.00 0.00 H ATOM 421 CD ARG 24 34.090 24.830 23.900 1.00 0.00 C ATOM 422 HD1 ARG 24 34.000 25.920 23.700 1.00 0.00 H ATOM 423 HD2 ARG 24 33.720 24.400 22.950 1.00 0.00 H ATOM 424 NE ARG 24 35.460 24.340 24.030 1.00 0.00 N ATOM 425 HE ARG 24 35.580 23.610 24.700 1.00 0.00 H ATOM 426 CZ ARG 24 36.520 24.560 23.190 1.00 0.00 C ATOM 427 NH1 ARG 24 36.530 25.400 22.170 1.00 0.00 N ATOM 428 HH11 ARG 24 35.770 26.020 21.980 1.00 0.00 H ATOM 429 HH12 ARG 24 37.180 25.080 21.490 1.00 0.00 H ATOM 430 NH2 ARG 24 37.580 23.720 23.180 1.00 0.00 N ATOM 431 HH21 ARG 24 37.600 22.950 23.820 1.00 0.00 H ATOM 432 HH22 ARG 24 37.940 23.680 22.250 1.00 0.00 H ATOM 433 C ARG 24 31.220 24.660 27.290 1.00 0.00 C ATOM 434 O ARG 24 31.400 25.790 27.630 1.00 0.00 O ATOM 435 N VAL 25 31.440 23.610 28.080 1.00 0.00 N ATOM 436 HN VAL 25 31.210 22.680 27.800 1.00 0.00 H ATOM 437 CA VAL 25 32.130 23.740 29.400 1.00 0.00 C ATOM 438 HA VAL 25 32.500 24.760 29.420 1.00 0.00 H ATOM 439 CB VAL 25 31.300 23.330 30.620 1.00 0.00 C ATOM 440 HB VAL 25 30.820 22.350 30.380 1.00 0.00 H ATOM 441 CG1 VAL 25 32.160 23.270 31.890 1.00 0.00 C ATOM 442 HG11 VAL 25 32.770 24.200 31.960 1.00 0.00 H ATOM 443 HG12 VAL 25 32.950 22.500 31.830 1.00 0.00 H ATOM 444 HG13 VAL 25 31.580 23.240 32.840 1.00 0.00 H ATOM 445 CG2 VAL 25 30.160 24.320 30.740 1.00 0.00 C ATOM 446 HG21 VAL 25 29.480 24.050 31.580 1.00 0.00 H ATOM 447 HG22 VAL 25 29.450 24.210 29.890 1.00 0.00 H ATOM 448 HG23 VAL 25 30.440 25.390 30.630 1.00 0.00 H ATOM 449 C VAL 25 33.390 22.890 29.280 1.00 0.00 C ATOM 450 O VAL 25 33.250 21.700 28.950 1.00 0.00 O ATOM 451 N ILE 26 34.540 23.480 29.590 1.00 0.00 N ATOM 452 HN ILE 26 34.590 24.470 29.670 1.00 0.00 H ATOM 453 CA ILE 26 35.790 22.730 29.810 1.00 0.00 C ATOM 454 HA ILE 26 35.700 21.720 29.440 1.00 0.00 H ATOM 455 CB ILE 26 37.010 23.370 29.160 1.00 0.00 C ATOM 456 HB ILE 26 37.310 24.340 29.620 1.00 0.00 H ATOM 457 CG2 ILE 26 38.240 22.350 29.290 1.00 0.00 C ATOM 458 HG21 ILE 26 38.180 21.600 28.470 1.00 0.00 H ATOM 459 HG22 ILE 26 38.260 21.800 30.250 1.00 0.00 H ATOM 460 HG23 ILE 26 39.220 22.850 29.190 1.00 0.00 H ATOM 461 CG1 ILE 26 36.770 23.650 27.670 1.00 0.00 C ATOM 462 HG11 ILE 26 36.000 22.950 27.280 1.00 0.00 H ATOM 463 HG12 ILE 26 37.710 23.350 27.150 1.00 0.00 H ATOM 464 CD ILE 26 36.340 25.060 27.390 1.00 0.00 C ATOM 465 HD1 ILE 26 35.290 25.330 27.630 1.00 0.00 H ATOM 466 HD2 ILE 26 36.640 25.320 26.350 1.00 0.00 H ATOM 467 HD3 ILE 26 37.070 25.730 27.880 1.00 0.00 H ATOM 468 C ILE 26 36.090 22.770 31.290 1.00 0.00 C ATOM 469 O ILE 26 36.280 23.910 31.800 1.00 0.00 O ATOM 470 N GLU 27 36.130 21.660 32.070 1.00 0.00 N ATOM 471 HN GLU 27 35.970 20.780 31.620 1.00 0.00 H ATOM 472 CA GLU 27 36.540 21.630 33.430 1.00 0.00 C ATOM 473 HA GLU 27 36.220 22.560 33.860 1.00 0.00 H ATOM 474 CB GLU 27 35.780 20.440 34.020 1.00 0.00 C ATOM 475 HB1 GLU 27 35.490 19.710 33.250 1.00 0.00 H ATOM 476 HB2 GLU 27 34.810 20.880 34.350 1.00 0.00 H ATOM 477 CG GLU 27 36.350 19.690 35.260 1.00 0.00 C ATOM 478 HG1 GLU 27 36.470 20.410 36.090 1.00 0.00 H ATOM 479 HG2 GLU 27 37.390 19.300 35.130 1.00 0.00 H ATOM 480 CD GLU 27 35.420 18.560 35.780 1.00 0.00 C ATOM 481 OE1 GLU 27 34.610 18.680 36.730 1.00 0.00 O ATOM 482 OE2 GLU 27 35.490 17.500 35.080 1.00 0.00 O ATOM 483 C GLU 27 38.040 21.580 33.620 1.00 0.00 C ATOM 484 O GLU 27 38.770 21.190 32.740 1.00 0.00 O ATOM 485 N SER 28 38.620 21.950 34.740 1.00 0.00 N ATOM 486 HN SER 28 37.990 22.290 35.430 1.00 0.00 H ATOM 487 CA SER 28 40.050 21.900 35.000 1.00 0.00 C ATOM 488 HA SER 28 40.450 22.570 34.260 1.00 0.00 H ATOM 489 CB SER 28 40.530 22.590 36.280 1.00 0.00 C ATOM 490 HB1 SER 28 40.330 23.680 36.160 1.00 0.00 H ATOM 491 HB2 SER 28 41.630 22.480 36.410 1.00 0.00 H ATOM 492 OG SER 28 39.770 22.190 37.380 1.00 0.00 O ATOM 493 HG1 SER 28 39.980 21.260 37.490 1.00 0.00 H ATOM 494 C SER 28 40.860 20.630 34.830 1.00 0.00 C ATOM 495 O SER 28 40.530 19.460 35.140 1.00 0.00 O ATOM 496 N GLY 29 42.030 20.770 34.240 1.00 0.00 N ATOM 497 HN GLY 29 42.280 21.670 33.900 1.00 0.00 H ATOM 498 CA GLY 29 42.980 19.640 33.990 1.00 0.00 C ATOM 499 HA1 GLY 29 42.950 19.450 32.920 1.00 0.00 H ATOM 500 HA2 GLY 29 42.740 18.800 34.630 1.00 0.00 H ATOM 501 C GLY 29 44.380 19.970 34.260 1.00 0.00 C ATOM 502 O GLY 29 44.700 20.980 34.890 1.00 0.00 O ATOM 503 N PRO 30 45.280 19.180 33.790 1.00 0.00 N ATOM 504 CD PRO 30 45.070 17.700 33.650 1.00 0.00 C ATOM 505 HD1 PRO 30 44.340 17.280 32.920 1.00 0.00 H ATOM 506 HD2 PRO 30 44.820 17.150 34.590 1.00 0.00 H ATOM 507 CA PRO 30 46.700 19.570 33.730 1.00 0.00 C ATOM 508 HA PRO 30 46.970 20.310 34.470 1.00 0.00 H ATOM 509 CB PRO 30 47.470 18.230 33.680 1.00 0.00 C ATOM 510 HB1 PRO 30 47.700 17.920 34.730 1.00 0.00 H ATOM 511 HB2 PRO 30 48.430 18.170 33.130 1.00 0.00 H ATOM 512 CG PRO 30 46.440 17.190 33.170 1.00 0.00 C ATOM 513 HG1 PRO 30 46.430 17.080 32.070 1.00 0.00 H ATOM 514 HG2 PRO 30 46.700 16.160 33.500 1.00 0.00 H ATOM 515 C PRO 30 46.930 20.250 32.320 1.00 0.00 C ATOM 516 O PRO 30 47.400 19.590 31.370 1.00 0.00 O ATOM 517 N HSD 31 46.620 21.560 32.180 1.00 0.00 N ATOM 518 HN HSD 31 46.320 22.020 33.010 1.00 0.00 H ATOM 519 CA HSD 31 46.570 22.340 30.960 1.00 0.00 C ATOM 520 HA HSD 31 47.550 22.630 30.600 1.00 0.00 H ATOM 521 CB HSD 31 45.800 21.600 29.790 1.00 0.00 C ATOM 522 HB1 HSD 31 46.500 20.890 29.290 1.00 0.00 H ATOM 523 HB2 HSD 31 45.470 22.290 28.990 1.00 0.00 H ATOM 524 ND1 HSD 31 44.300 19.550 30.410 1.00 0.00 N ATOM 525 HD1 HSD 31 45.010 18.850 30.350 1.00 0.00 H ATOM 526 CG HSD 31 44.520 20.910 30.160 1.00 0.00 C ATOM 527 CE1 HSD 31 43.000 19.340 30.440 1.00 0.00 C ATOM 528 HE1 HSD 31 42.390 18.440 30.520 1.00 0.00 H ATOM 529 NE2 HSD 31 42.350 20.470 30.330 1.00 0.00 N ATOM 530 CD2 HSD 31 43.280 21.420 30.080 1.00 0.00 C ATOM 531 HD2 HSD 31 42.930 22.380 29.720 1.00 0.00 H ATOM 532 C HSD 31 45.760 23.570 31.200 1.00 0.00 C ATOM 533 O HSD 31 46.030 24.660 30.680 1.00 0.00 O ATOM 534 N CYS 32 44.700 23.560 32.030 1.00 0.00 N ATOM 535 HN CYS 32 44.450 22.660 32.380 1.00 0.00 H ATOM 536 CA CYS 32 44.020 24.750 32.530 1.00 0.00 C ATOM 537 HA CYS 32 44.720 25.560 32.410 1.00 0.00 H ATOM 538 CB CYS 32 42.730 25.000 31.670 1.00 0.00 C ATOM 539 HB1 CYS 32 42.020 24.170 31.890 1.00 0.00 H ATOM 540 HB2 CYS 32 43.120 25.100 30.630 1.00 0.00 H ATOM 541 SG CYS 32 42.010 26.550 32.070 1.00 0.00 S ATOM 542 C CYS 32 43.640 24.510 33.950 1.00 0.00 C ATOM 543 O CYS 32 43.010 23.510 34.260 1.00 0.00 O ATOM 544 N ALA 33 44.030 25.370 34.840 1.00 0.00 N ATOM 545 HN ALA 33 44.670 26.090 34.570 1.00 0.00 H ATOM 546 CA ALA 33 43.650 25.250 36.200 1.00 0.00 C ATOM 547 HA ALA 33 43.680 24.210 36.500 1.00 0.00 H ATOM 548 CB ALA 33 44.740 25.970 37.110 1.00 0.00 C ATOM 549 HB1 ALA 33 44.770 27.030 36.790 1.00 0.00 H ATOM 550 HB2 ALA 33 45.670 25.380 36.980 1.00 0.00 H ATOM 551 HB3 ALA 33 44.490 25.890 38.190 1.00 0.00 H ATOM 552 C ALA 33 42.250 25.900 36.570 1.00 0.00 C ATOM 553 O ALA 33 41.980 26.010 37.730 1.00 0.00 O ATOM 554 N ASN 34 41.490 26.370 35.540 1.00 0.00 N ATOM 555 HN ASN 34 41.860 26.330 34.610 1.00 0.00 H ATOM 556 CA ASN 34 40.130 26.950 35.590 1.00 0.00 C ATOM 557 HA ASN 34 39.720 26.920 36.590 1.00 0.00 H ATOM 558 CB ASN 34 40.060 28.350 35.050 1.00 0.00 C ATOM 559 HB1 ASN 34 39.030 28.750 35.150 1.00 0.00 H ATOM 560 HB2 ASN 34 40.270 28.310 33.960 1.00 0.00 H ATOM 561 CG ASN 34 41.070 29.360 35.690 1.00 0.00 C ATOM 562 OD1 ASN 34 41.630 29.140 36.750 1.00 0.00 O ATOM 563 ND2 ASN 34 41.180 30.550 35.050 1.00 0.00 N ATOM 564 HD21 ASN 34 41.930 31.110 35.390 1.00 0.00 H ATOM 565 HD22 ASN 34 40.450 30.880 34.450 1.00 0.00 H ATOM 566 C ASN 34 39.220 26.070 34.900 1.00 0.00 C ATOM 567 O ASN 34 39.520 25.440 33.900 1.00 0.00 O ATOM 568 N THR 35 37.960 26.020 35.400 1.00 0.00 N ATOM 569 HN THR 35 37.650 26.370 36.290 1.00 0.00 H ATOM 570 CA THR 35 36.800 25.600 34.640 1.00 0.00 C ATOM 571 HA THR 35 37.060 24.850 33.910 1.00 0.00 H ATOM 572 CB THR 35 35.710 24.970 35.530 1.00 0.00 C ATOM 573 HB THR 35 35.550 25.680 36.370 1.00 0.00 H ATOM 574 OG1 THR 35 36.110 23.740 36.070 1.00 0.00 O ATOM 575 HG1 THR 35 36.930 23.920 36.520 1.00 0.00 H ATOM 576 CG2 THR 35 34.370 24.760 34.750 1.00 0.00 C ATOM 577 HG21 THR 35 34.430 24.090 33.860 1.00 0.00 H ATOM 578 HG22 THR 35 33.960 25.720 34.370 1.00 0.00 H ATOM 579 HG23 THR 35 33.570 24.400 35.430 1.00 0.00 H ATOM 580 C THR 35 36.240 26.800 33.770 1.00 0.00 C ATOM 581 O THR 35 36.040 27.870 34.350 1.00 0.00 O ATOM 582 N GLU 36 36.010 26.650 32.440 1.00 0.00 N ATOM 583 HN GLU 36 36.110 25.760 32.010 1.00 0.00 H ATOM 584 CA GLU 36 35.730 27.770 31.620 1.00 0.00 C ATOM 585 HA GLU 36 35.580 28.670 32.200 1.00 0.00 H ATOM 586 CB GLU 36 36.850 28.090 30.680 1.00 0.00 C ATOM 587 HB1 GLU 36 36.590 29.090 30.280 1.00 0.00 H ATOM 588 HB2 GLU 36 36.880 27.300 29.900 1.00 0.00 H ATOM 589 CG GLU 36 38.270 28.030 31.330 1.00 0.00 C ATOM 590 HG1 GLU 36 38.640 27.020 31.610 1.00 0.00 H ATOM 591 HG2 GLU 36 38.300 28.630 32.260 1.00 0.00 H ATOM 592 CD GLU 36 39.270 28.750 30.480 1.00 0.00 C ATOM 593 OE1 GLU 36 39.390 28.340 29.270 1.00 0.00 O ATOM 594 OE2 GLU 36 39.990 29.660 30.970 1.00 0.00 O ATOM 595 C GLU 36 34.390 27.590 30.970 1.00 0.00 C ATOM 596 O GLU 36 34.170 26.520 30.350 1.00 0.00 O ATOM 597 N ILE 37 33.550 28.620 31.120 1.00 0.00 N ATOM 598 HN ILE 37 33.750 29.360 31.750 1.00 0.00 H ATOM 599 CA ILE 37 32.210 28.700 30.560 1.00 0.00 C ATOM 600 HA ILE 37 32.020 27.650 30.380 1.00 0.00 H ATOM 601 CB ILE 37 31.170 29.290 31.540 1.00 0.00 C ATOM 602 HB ILE 37 31.440 30.360 31.640 1.00 0.00 H ATOM 603 CG2 ILE 37 29.750 29.290 30.900 1.00 0.00 C ATOM 604 HG21 ILE 37 29.720 29.840 29.930 1.00 0.00 H ATOM 605 HG22 ILE 37 29.030 29.810 31.570 1.00 0.00 H ATOM 606 HG23 ILE 37 29.500 28.220 30.770 1.00 0.00 H ATOM 607 CG1 ILE 37 31.180 28.650 33.000 1.00 0.00 C ATOM 608 HG11 ILE 37 30.200 28.910 33.460 1.00 0.00 H ATOM 609 HG12 ILE 37 32.050 29.030 33.570 1.00 0.00 H ATOM 610 CD ILE 37 31.160 27.090 33.050 1.00 0.00 C ATOM 611 HD1 ILE 37 31.980 26.640 32.450 1.00 0.00 H ATOM 612 HD2 ILE 37 30.230 26.750 32.550 1.00 0.00 H ATOM 613 HD3 ILE 37 31.250 26.640 34.070 1.00 0.00 H ATOM 614 C ILE 37 32.150 29.490 29.240 1.00 0.00 C ATOM 615 O ILE 37 32.390 30.720 29.180 1.00 0.00 O ATOM 616 N ILE 38 31.850 28.710 28.190 1.00 0.00 N ATOM 617 HN ILE 38 31.800 27.720 28.270 1.00 0.00 H ATOM 618 CA ILE 38 31.680 29.240 26.790 1.00 0.00 C ATOM 619 HA ILE 38 31.930 30.290 26.860 1.00 0.00 H ATOM 620 CB ILE 38 32.640 28.550 25.800 1.00 0.00 C ATOM 621 HB ILE 38 32.370 27.470 25.760 1.00 0.00 H ATOM 622 CG2 ILE 38 32.410 29.190 24.370 1.00 0.00 C ATOM 623 HG21 ILE 38 33.350 29.210 23.780 1.00 0.00 H ATOM 624 HG22 ILE 38 32.050 30.240 24.500 1.00 0.00 H ATOM 625 HG23 ILE 38 31.670 28.640 23.750 1.00 0.00 H ATOM 626 CG1 ILE 38 34.110 28.720 26.290 1.00 0.00 C ATOM 627 HG11 ILE 38 34.150 28.290 27.320 1.00 0.00 H ATOM 628 HG12 ILE 38 34.240 29.820 26.360 1.00 0.00 H ATOM 629 CD ILE 38 35.160 28.010 25.430 1.00 0.00 C ATOM 630 HD1 ILE 38 36.190 28.250 25.770 1.00 0.00 H ATOM 631 HD2 ILE 38 35.030 28.170 24.340 1.00 0.00 H ATOM 632 HD3 ILE 38 34.990 26.920 25.530 1.00 0.00 H ATOM 633 C ILE 38 30.330 28.920 26.280 1.00 0.00 C ATOM 634 O ILE 38 29.830 27.790 26.320 1.00 0.00 O ATOM 635 N VAL 39 29.610 29.930 25.830 1.00 0.00 N ATOM 636 HN VAL 39 30.000 30.810 26.070 1.00 0.00 H ATOM 637 CA VAL 39 28.260 29.860 25.290 1.00 0.00 C ATOM 638 HA VAL 39 27.890 28.850 25.280 1.00 0.00 H ATOM 639 CB VAL 39 27.250 30.740 26.120 1.00 0.00 C ATOM 640 HB VAL 39 26.270 30.810 25.600 1.00 0.00 H ATOM 641 CG1 VAL 39 27.050 30.040 27.480 1.00 0.00 C ATOM 642 HG11 VAL 39 27.970 30.210 28.080 1.00 0.00 H ATOM 643 HG12 VAL 39 26.860 28.950 27.340 1.00 0.00 H ATOM 644 HG13 VAL 39 26.260 30.490 28.110 1.00 0.00 H ATOM 645 CG2 VAL 39 27.720 32.190 26.300 1.00 0.00 C ATOM 646 HG21 VAL 39 26.970 32.830 26.820 1.00 0.00 H ATOM 647 HG22 VAL 39 27.970 32.640 25.320 1.00 0.00 H ATOM 648 HG23 VAL 39 28.590 32.250 26.990 1.00 0.00 H ATOM 649 C VAL 39 28.140 30.310 23.770 1.00 0.00 C ATOM 650 O VAL 39 28.830 31.240 23.300 1.00 0.00 O ATOM 651 N LYS 40 27.360 29.590 22.980 1.00 0.00 N ATOM 652 HN LYS 40 26.690 28.900 23.260 1.00 0.00 H ATOM 653 CA LYS 40 27.450 29.880 21.520 1.00 0.00 C ATOM 654 HA LYS 40 28.200 30.640 21.330 1.00 0.00 H ATOM 655 CB LYS 40 27.660 28.540 20.730 1.00 0.00 C ATOM 656 HB1 LYS 40 26.890 27.820 21.090 1.00 0.00 H ATOM 657 HB2 LYS 40 28.670 28.180 21.000 1.00 0.00 H ATOM 658 CG LYS 40 27.690 28.600 19.180 1.00 0.00 C ATOM 659 HG1 LYS 40 28.590 29.150 18.830 1.00 0.00 H ATOM 660 HG2 LYS 40 26.730 29.080 18.900 1.00 0.00 H ATOM 661 CD LYS 40 27.550 27.190 18.580 1.00 0.00 C ATOM 662 HD1 LYS 40 27.570 27.450 17.500 1.00 0.00 H ATOM 663 HD2 LYS 40 26.620 26.640 18.820 1.00 0.00 H ATOM 664 CE LYS 40 28.680 26.370 19.150 1.00 0.00 C ATOM 665 HE1 LYS 40 28.420 25.950 20.140 1.00 0.00 H ATOM 666 HE2 LYS 40 29.680 26.860 19.200 1.00 0.00 H ATOM 667 NZ LYS 40 28.940 25.280 18.220 1.00 0.00 N ATOM 668 HZ1 LYS 40 29.260 25.640 17.290 1.00 0.00 H ATOM 669 HZ2 LYS 40 28.030 24.780 18.190 1.00 0.00 H ATOM 670 HZ3 LYS 40 29.640 24.710 18.730 1.00 0.00 H ATOM 671 C LYS 40 26.180 30.430 21.060 1.00 0.00 C ATOM 672 O LYS 40 25.140 29.790 21.090 1.00 0.00 O ATOM 673 N LEU 41 26.240 31.680 20.450 1.00 0.00 N ATOM 674 HN LEU 41 27.120 32.000 20.130 1.00 0.00 H ATOM 675 CA LEU 41 25.130 32.490 20.220 1.00 0.00 C ATOM 676 HA LEU 41 24.370 32.150 20.910 1.00 0.00 H ATOM 677 CB LEU 41 25.400 33.920 20.700 1.00 0.00 C ATOM 678 HB1 LEU 41 24.560 34.620 20.520 1.00 0.00 H ATOM 679 HB2 LEU 41 26.310 34.280 20.170 1.00 0.00 H ATOM 680 CG LEU 41 25.860 34.070 22.160 1.00 0.00 C ATOM 681 HG LEU 41 26.760 33.440 22.300 1.00 0.00 H ATOM 682 CD1 LEU 41 26.260 35.530 22.250 1.00 0.00 C ATOM 683 HD11 LEU 41 25.410 36.150 21.890 1.00 0.00 H ATOM 684 HD12 LEU 41 27.170 35.780 21.660 1.00 0.00 H ATOM 685 HD13 LEU 41 26.550 35.750 23.300 1.00 0.00 H ATOM 686 CD2 LEU 41 24.800 33.870 23.210 1.00 0.00 C ATOM 687 HD21 LEU 41 25.290 33.840 24.210 1.00 0.00 H ATOM 688 HD22 LEU 41 24.210 32.950 22.990 1.00 0.00 H ATOM 689 HD23 LEU 41 24.030 34.670 23.210 1.00 0.00 H ATOM 690 C LEU 41 24.630 32.430 18.820 1.00 0.00 C ATOM 691 O LEU 41 25.390 32.030 17.950 1.00 0.00 O ATOM 692 N SER 42 23.360 32.740 18.550 1.00 0.00 N ATOM 693 HN SER 42 22.830 33.180 19.270 1.00 0.00 H ATOM 694 CA SER 42 22.660 32.470 17.310 1.00 0.00 C ATOM 695 HA SER 42 22.640 31.400 17.210 1.00 0.00 H ATOM 696 CB SER 42 21.150 32.790 17.320 1.00 0.00 C ATOM 697 HB1 SER 42 20.610 32.650 16.360 1.00 0.00 H ATOM 698 HB2 SER 42 20.850 33.830 17.570 1.00 0.00 H ATOM 699 OG SER 42 20.560 31.800 18.180 1.00 0.00 O ATOM 700 HG1 SER 42 20.830 32.000 19.080 1.00 0.00 H ATOM 701 C SER 42 23.220 32.920 16.020 1.00 0.00 C ATOM 702 O SER 42 23.110 32.150 15.020 1.00 0.00 O ATOM 703 N ASP 43 23.790 34.150 15.890 1.00 0.00 N ATOM 704 HN ASP 43 23.790 34.650 16.750 1.00 0.00 H ATOM 705 CA ASP 43 24.450 34.730 14.670 1.00 0.00 C ATOM 706 HA ASP 43 23.810 34.470 13.830 1.00 0.00 H ATOM 707 CB ASP 43 24.240 36.290 14.790 1.00 0.00 C ATOM 708 HB1 ASP 43 23.240 36.470 15.230 1.00 0.00 H ATOM 709 HB2 ASP 43 24.170 36.700 13.760 1.00 0.00 H ATOM 710 CG ASP 43 25.200 37.040 15.630 1.00 0.00 C ATOM 711 OD1 ASP 43 24.870 38.250 15.780 1.00 0.00 O ATOM 712 OD2 ASP 43 26.180 36.530 16.230 1.00 0.00 O ATOM 713 C ASP 43 25.870 34.240 14.300 1.00 0.00 C ATOM 714 O ASP 43 26.250 34.170 13.110 1.00 0.00 O ATOM 715 N GLY 44 26.620 33.830 15.300 1.00 0.00 N ATOM 716 HN GLY 44 26.180 33.640 16.170 1.00 0.00 H ATOM 717 CA GLY 44 28.020 33.470 15.050 1.00 0.00 C ATOM 718 HA1 GLY 44 28.450 34.290 14.500 1.00 0.00 H ATOM 719 HA2 GLY 44 28.120 32.510 14.560 1.00 0.00 H ATOM 720 C GLY 44 28.850 33.340 16.280 1.00 0.00 C ATOM 721 O GLY 44 29.810 32.590 16.360 1.00 0.00 O ATOM 722 N ARG 45 28.510 34.170 17.380 1.00 0.00 N ATOM 723 HN ARG 45 27.720 34.760 17.280 1.00 0.00 H ATOM 724 CA ARG 45 29.560 34.330 18.400 1.00 0.00 C ATOM 725 HA ARG 45 30.550 34.510 18.000 1.00 0.00 H ATOM 726 CB ARG 45 29.100 35.550 19.130 1.00 0.00 C ATOM 727 HB1 ARG 45 29.610 35.800 20.080 1.00 0.00 H ATOM 728 HB2 ARG 45 28.030 35.370 19.380 1.00 0.00 H ATOM 729 CG ARG 45 29.310 36.800 18.230 1.00 0.00 C ATOM 730 HG1 ARG 45 28.970 36.670 17.180 1.00 0.00 H ATOM 731 HG2 ARG 45 30.380 37.080 18.100 1.00 0.00 H ATOM 732 CD ARG 45 28.670 38.060 18.950 1.00 0.00 C ATOM 733 HD1 ARG 45 29.050 39.050 18.620 1.00 0.00 H ATOM 734 HD2 ARG 45 28.780 37.900 20.040 1.00 0.00 H ATOM 735 NE ARG 45 27.190 38.100 18.510 1.00 0.00 N ATOM 736 HE ARG 45 26.880 37.490 17.770 1.00 0.00 H ATOM 737 CZ ARG 45 26.240 38.860 19.010 1.00 0.00 C ATOM 738 NH1 ARG 45 26.320 39.690 20.010 1.00 0.00 N ATOM 739 HH11 ARG 45 27.260 39.890 20.310 1.00 0.00 H ATOM 740 HH12 ARG 45 25.620 40.130 20.570 1.00 0.00 H ATOM 741 NH2 ARG 45 25.050 38.650 18.470 1.00 0.00 N ATOM 742 HH21 ARG 45 24.330 39.260 18.790 1.00 0.00 H ATOM 743 HH22 ARG 45 25.030 38.450 17.490 1.00 0.00 H ATOM 744 C ARG 45 29.780 33.150 19.360 1.00 0.00 C ATOM 745 O ARG 45 28.890 32.390 19.730 1.00 0.00 O ATOM 746 N GLU 46 31.050 32.980 19.850 1.00 0.00 N ATOM 747 HN GLU 46 31.810 33.570 19.600 1.00 0.00 H ATOM 748 CA GLU 46 31.380 32.090 20.970 1.00 0.00 C ATOM 749 HA GLU 46 30.510 31.620 21.400 1.00 0.00 H ATOM 750 CB GLU 46 32.340 30.950 20.640 1.00 0.00 C ATOM 751 HB1 GLU 46 32.490 30.370 21.570 1.00 0.00 H ATOM 752 HB2 GLU 46 33.230 31.410 20.150 1.00 0.00 H ATOM 753 CG GLU 46 31.700 29.900 19.660 1.00 0.00 C ATOM 754 HG1 GLU 46 31.390 30.460 18.760 1.00 0.00 H ATOM 755 HG2 GLU 46 30.860 29.420 20.220 1.00 0.00 H ATOM 756 CD GLU 46 32.710 28.880 19.110 1.00 0.00 C ATOM 757 OE1 GLU 46 32.180 28.030 18.270 1.00 0.00 O ATOM 758 OE2 GLU 46 33.910 28.860 19.480 1.00 0.00 O ATOM 759 C GLU 46 32.020 32.960 22.110 1.00 0.00 C ATOM 760 O GLU 46 33.060 33.560 21.970 1.00 0.00 O ATOM 761 N LEU 47 31.330 33.020 23.270 1.00 0.00 N ATOM 762 HN LEU 47 30.490 32.500 23.430 1.00 0.00 H ATOM 763 CA LEU 47 31.480 34.130 24.190 1.00 0.00 C ATOM 764 HA LEU 47 32.410 34.650 23.980 1.00 0.00 H ATOM 765 CB LEU 47 30.310 35.220 24.060 1.00 0.00 C ATOM 766 HB1 LEU 47 30.570 35.880 24.920 1.00 0.00 H ATOM 767 HB2 LEU 47 29.310 34.740 24.170 1.00 0.00 H ATOM 768 CG LEU 47 30.350 35.950 22.770 1.00 0.00 C ATOM 769 HG LEU 47 30.060 35.240 21.970 1.00 0.00 H ATOM 770 CD1 LEU 47 29.410 37.130 22.880 1.00 0.00 C ATOM 771 HD11 LEU 47 28.450 36.660 23.170 1.00 0.00 H ATOM 772 HD12 LEU 47 29.270 37.670 21.920 1.00 0.00 H ATOM 773 HD13 LEU 47 29.700 37.800 23.730 1.00 0.00 H ATOM 774 CD2 LEU 47 31.690 36.650 22.360 1.00 0.00 C ATOM 775 HD21 LEU 47 32.550 35.990 22.100 1.00 0.00 H ATOM 776 HD22 LEU 47 32.000 37.360 23.150 1.00 0.00 H ATOM 777 HD23 LEU 47 31.550 37.280 21.460 1.00 0.00 H ATOM 778 C LEU 47 31.680 33.500 25.580 1.00 0.00 C ATOM 779 O LEU 47 31.000 32.540 25.910 1.00 0.00 O ATOM 780 N CYS 48 32.650 34.000 26.320 1.00 0.00 N ATOM 781 HN CYS 48 33.250 34.720 26.010 1.00 0.00 H ATOM 782 CA CYS 48 32.920 33.490 27.650 1.00 0.00 C ATOM 783 HA CYS 48 32.750 32.420 27.650 1.00 0.00 H ATOM 784 CB CYS 48 34.510 33.670 27.950 1.00 0.00 C ATOM 785 HB1 CYS 48 34.780 33.780 29.030 1.00 0.00 H ATOM 786 HB2 CYS 48 34.620 34.670 27.500 1.00 0.00 H ATOM 787 SG CYS 48 35.490 32.420 27.040 1.00 0.00 S ATOM 788 C CYS 48 32.040 34.190 28.730 1.00 0.00 C ATOM 789 O CYS 48 31.640 35.340 28.650 1.00 0.00 O ATOM 790 N LEU 49 31.690 33.500 29.840 1.00 0.00 N ATOM 791 HN LEU 49 32.030 32.570 29.910 1.00 0.00 H ATOM 792 CA LEU 49 30.790 33.880 30.960 1.00 0.00 C ATOM 793 HA LEU 49 30.530 34.930 30.980 1.00 0.00 H ATOM 794 CB LEU 49 29.450 33.140 30.980 1.00 0.00 C ATOM 795 HB1 LEU 49 28.850 33.600 31.800 1.00 0.00 H ATOM 796 HB2 LEU 49 29.630 32.050 31.150 1.00 0.00 H ATOM 797 CG LEU 49 28.600 33.340 29.740 1.00 0.00 C ATOM 798 HG LEU 49 29.080 32.840 28.870 1.00 0.00 H ATOM 799 CD1 LEU 49 27.330 32.490 29.930 1.00 0.00 C ATOM 800 HD11 LEU 49 26.810 33.000 30.770 1.00 0.00 H ATOM 801 HD12 LEU 49 27.480 31.400 30.050 1.00 0.00 H ATOM 802 HD13 LEU 49 26.630 32.630 29.070 1.00 0.00 H ATOM 803 CD2 LEU 49 28.280 34.800 29.350 1.00 0.00 C ATOM 804 HD21 LEU 49 29.250 35.190 28.960 1.00 0.00 H ATOM 805 HD22 LEU 49 27.770 35.390 30.140 1.00 0.00 H ATOM 806 HD23 LEU 49 27.640 34.760 28.440 1.00 0.00 H ATOM 807 C LEU 49 31.300 33.630 32.340 1.00 0.00 C ATOM 808 O LEU 49 32.010 32.650 32.550 1.00 0.00 O ATOM 809 N ASP 50 31.110 34.600 33.300 1.00 0.00 N ATOM 810 HN ASP 50 30.680 35.490 33.100 1.00 0.00 H ATOM 811 CA ASP 50 31.450 34.320 34.720 1.00 0.00 C ATOM 812 HA ASP 50 32.260 33.600 34.650 1.00 0.00 H ATOM 813 CB ASP 50 31.960 35.710 35.230 1.00 0.00 C ATOM 814 HB1 ASP 50 31.060 36.330 35.030 1.00 0.00 H ATOM 815 HB2 ASP 50 32.850 36.020 34.660 1.00 0.00 H ATOM 816 CG ASP 50 32.240 35.760 36.710 1.00 0.00 C ATOM 817 OD1 ASP 50 32.180 34.690 37.370 1.00 0.00 O ATOM 818 OD2 ASP 50 32.710 36.850 37.170 1.00 0.00 O ATOM 819 C ASP 50 30.320 33.730 35.450 1.00 0.00 C ATOM 820 O ASP 50 29.300 34.340 35.670 1.00 0.00 O ATOM 821 N PRO 51 30.440 32.420 35.940 1.00 0.00 N ATOM 822 CD PRO 51 31.660 31.560 35.840 1.00 0.00 C ATOM 823 HD1 PRO 51 32.570 32.050 36.240 1.00 0.00 H ATOM 824 HD2 PRO 51 31.820 31.370 34.750 1.00 0.00 H ATOM 825 CA PRO 51 29.320 31.640 36.510 1.00 0.00 C ATOM 826 HA PRO 51 28.460 31.770 35.870 1.00 0.00 H ATOM 827 CB PRO 51 29.850 30.180 36.360 1.00 0.00 C ATOM 828 HB1 PRO 51 29.660 29.810 35.330 1.00 0.00 H ATOM 829 HB2 PRO 51 29.460 29.510 37.150 1.00 0.00 H ATOM 830 CG PRO 51 31.370 30.280 36.550 1.00 0.00 C ATOM 831 HG1 PRO 51 31.730 30.410 37.600 1.00 0.00 H ATOM 832 HG2 PRO 51 31.860 29.340 36.200 1.00 0.00 H ATOM 833 C PRO 51 28.910 32.100 37.880 1.00 0.00 C ATOM 834 O PRO 51 27.810 31.620 38.290 1.00 0.00 O ATOM 835 N LYS 52 29.630 32.960 38.600 1.00 0.00 N ATOM 836 HN LYS 52 30.460 33.320 38.170 1.00 0.00 H ATOM 837 CA LYS 52 29.180 33.480 39.860 1.00 0.00 C ATOM 838 HA LYS 52 28.650 32.620 40.260 1.00 0.00 H ATOM 839 CB LYS 52 30.340 33.890 40.800 1.00 0.00 C ATOM 840 HB1 LYS 52 29.860 34.360 41.680 1.00 0.00 H ATOM 841 HB2 LYS 52 31.080 34.620 40.410 1.00 0.00 H ATOM 842 CG LYS 52 31.140 32.710 41.440 1.00 0.00 C ATOM 843 HG1 LYS 52 30.400 31.880 41.500 1.00 0.00 H ATOM 844 HG2 LYS 52 31.520 33.000 42.440 1.00 0.00 H ATOM 845 CD LYS 52 32.250 32.230 40.550 1.00 0.00 C ATOM 846 HD1 LYS 52 32.740 33.130 40.120 1.00 0.00 H ATOM 847 HD2 LYS 52 31.810 31.680 39.690 1.00 0.00 H ATOM 848 CE LYS 52 33.270 31.390 41.220 1.00 0.00 C ATOM 849 HE1 LYS 52 33.820 31.990 41.970 1.00 0.00 H ATOM 850 HE2 LYS 52 34.030 30.860 40.610 1.00 0.00 H ATOM 851 NZ LYS 52 32.690 30.260 42.010 1.00 0.00 N ATOM 852 HZ1 LYS 52 33.450 29.610 42.270 1.00 0.00 H ATOM 853 HZ2 LYS 52 32.020 29.770 41.380 1.00 0.00 H ATOM 854 HZ3 LYS 52 32.180 30.450 42.900 1.00 0.00 H ATOM 855 C LYS 52 28.110 34.540 39.840 1.00 0.00 C ATOM 856 O LYS 52 27.320 34.650 40.770 1.00 0.00 O ATOM 857 N GLU 53 28.050 35.330 38.720 1.00 0.00 N ATOM 858 HN GLU 53 28.580 35.180 37.890 1.00 0.00 H ATOM 859 CA GLU 53 27.170 36.390 38.390 1.00 0.00 C ATOM 860 HA GLU 53 27.190 37.130 39.170 1.00 0.00 H ATOM 861 CB GLU 53 27.640 37.120 37.150 1.00 0.00 C ATOM 862 HB1 GLU 53 26.870 37.790 36.710 1.00 0.00 H ATOM 863 HB2 GLU 53 27.890 36.420 36.320 1.00 0.00 H ATOM 864 CG GLU 53 28.930 37.960 37.370 1.00 0.00 C ATOM 865 HG1 GLU 53 29.760 37.500 36.790 1.00 0.00 H ATOM 866 HG2 GLU 53 29.240 37.880 38.430 1.00 0.00 H ATOM 867 CD GLU 53 28.760 39.400 36.920 1.00 0.00 C ATOM 868 OE1 GLU 53 27.910 40.110 37.600 1.00 0.00 O ATOM 869 OE2 GLU 53 29.370 39.840 35.940 1.00 0.00 O ATOM 870 C GLU 53 25.720 36.010 38.330 1.00 0.00 C ATOM 871 O GLU 53 25.390 35.250 37.420 1.00 0.00 O ATOM 872 N ASN 54 24.830 36.470 39.210 1.00 0.00 N ATOM 873 HN ASN 54 25.120 37.110 39.920 1.00 0.00 H ATOM 874 CA ASN 54 23.470 36.010 39.170 1.00 0.00 C ATOM 875 HA ASN 54 23.370 35.010 39.560 1.00 0.00 H ATOM 876 CB ASN 54 22.640 36.790 40.160 1.00 0.00 C ATOM 877 HB1 ASN 54 22.530 37.790 39.680 1.00 0.00 H ATOM 878 HB2 ASN 54 23.210 36.830 41.120 1.00 0.00 H ATOM 879 CG ASN 54 21.180 36.250 40.300 1.00 0.00 C ATOM 880 OD1 ASN 54 20.210 36.990 40.170 1.00 0.00 O ATOM 881 ND2 ASN 54 21.020 34.990 40.740 1.00 0.00 N ATOM 882 HD21 ASN 54 21.820 34.530 41.150 1.00 0.00 H ATOM 883 HD22 ASN 54 20.110 34.590 40.810 1.00 0.00 H ATOM 884 C ASN 54 22.730 36.130 37.730 1.00 0.00 C ATOM 885 O ASN 54 21.920 35.230 37.430 1.00 0.00 O ATOM 886 N TRP 55 23.020 37.180 36.930 1.00 0.00 N ATOM 887 HN TRP 55 23.560 37.960 37.230 1.00 0.00 H ATOM 888 CA TRP 55 22.420 37.210 35.560 1.00 0.00 C ATOM 889 HA TRP 55 21.370 37.110 35.750 1.00 0.00 H ATOM 890 CB TRP 55 22.810 38.530 34.790 1.00 0.00 C ATOM 891 HB1 TRP 55 22.440 39.440 35.300 1.00 0.00 H ATOM 892 HB2 TRP 55 22.180 38.660 33.880 1.00 0.00 H ATOM 893 CG TRP 55 24.190 38.870 34.360 1.00 0.00 C ATOM 894 CD1 TRP 55 25.220 39.610 34.970 1.00 0.00 C ATOM 895 HD1 TRP 55 25.170 39.940 35.990 1.00 0.00 H ATOM 896 NE1 TRP 55 26.280 39.660 34.180 1.00 0.00 N ATOM 897 HE1 TRP 55 27.120 40.100 34.400 1.00 0.00 H ATOM 898 CE2 TRP 55 26.090 38.910 33.090 1.00 0.00 C ATOM 899 CD2 TRP 55 24.820 38.330 33.230 1.00 0.00 C ATOM 900 CE3 TRP 55 24.390 37.520 32.120 1.00 0.00 C ATOM 901 HE3 TRP 55 23.350 37.280 32.020 1.00 0.00 H ATOM 902 CZ3 TRP 55 25.130 37.430 30.990 1.00 0.00 C ATOM 903 HZ3 TRP 55 24.740 36.890 30.140 1.00 0.00 H ATOM 904 CZ2 TRP 55 26.880 38.770 31.920 1.00 0.00 C ATOM 905 HZ2 TRP 55 27.840 39.250 31.810 1.00 0.00 H ATOM 906 CH2 TRP 55 26.300 38.150 30.860 1.00 0.00 C ATOM 907 HH2 TRP 55 26.830 38.050 29.930 1.00 0.00 H ATOM 908 C TRP 55 22.890 35.990 34.780 1.00 0.00 C ATOM 909 O TRP 55 22.200 35.360 34.030 1.00 0.00 O ATOM 910 N VAL 56 24.150 35.580 34.890 1.00 0.00 N ATOM 911 HN VAL 56 24.770 36.050 35.520 1.00 0.00 H ATOM 912 CA VAL 56 24.650 34.370 34.280 1.00 0.00 C ATOM 913 HA VAL 56 24.320 34.460 33.260 1.00 0.00 H ATOM 914 CB VAL 56 26.110 34.300 34.310 1.00 0.00 C ATOM 915 HB VAL 56 26.350 34.300 35.400 1.00 0.00 H ATOM 916 CG1 VAL 56 26.730 32.950 33.860 1.00 0.00 C ATOM 917 HG11 VAL 56 26.140 32.500 33.040 1.00 0.00 H ATOM 918 HG12 VAL 56 26.870 32.230 34.700 1.00 0.00 H ATOM 919 HG13 VAL 56 27.780 32.990 33.500 1.00 0.00 H ATOM 920 CG2 VAL 56 26.830 35.490 33.650 1.00 0.00 C ATOM 921 HG21 VAL 56 26.300 36.460 33.770 1.00 0.00 H ATOM 922 HG22 VAL 56 26.710 35.290 32.570 1.00 0.00 H ATOM 923 HG23 VAL 56 27.920 35.690 33.770 1.00 0.00 H ATOM 924 C VAL 56 24.030 33.150 34.760 1.00 0.00 C ATOM 925 O VAL 56 23.480 32.360 34.000 1.00 0.00 O ATOM 926 N GLN 57 23.880 33.040 36.100 1.00 0.00 N ATOM 927 HN GLN 57 24.200 33.810 36.650 1.00 0.00 H ATOM 928 CA GLN 57 23.200 31.960 36.730 1.00 0.00 C ATOM 929 HA GLN 57 23.880 31.120 36.690 1.00 0.00 H ATOM 930 CB GLN 57 23.200 32.210 38.270 1.00 0.00 C ATOM 931 HB1 GLN 57 22.430 31.580 38.750 1.00 0.00 H ATOM 932 HB2 GLN 57 22.930 33.260 38.490 1.00 0.00 H ATOM 933 CG GLN 57 24.560 32.020 38.960 1.00 0.00 C ATOM 934 HG1 GLN 57 25.220 32.790 38.500 1.00 0.00 H ATOM 935 HG2 GLN 57 24.920 31.020 38.630 1.00 0.00 H ATOM 936 CD GLN 57 24.400 32.210 40.430 1.00 0.00 C ATOM 937 OE1 GLN 57 23.510 32.930 40.890 1.00 0.00 O ATOM 938 NE2 GLN 57 25.200 31.500 41.230 1.00 0.00 N ATOM 939 HE21 GLN 57 25.840 30.880 40.770 1.00 0.00 H ATOM 940 HE22 GLN 57 25.150 31.820 42.180 1.00 0.00 H ATOM 941 C GLN 57 21.760 31.610 36.270 1.00 0.00 C ATOM 942 O GLN 57 21.340 30.480 35.950 1.00 0.00 O ATOM 943 N ARG 58 20.990 32.700 36.140 1.00 0.00 N ATOM 944 HN ARG 58 21.280 33.610 36.440 1.00 0.00 H ATOM 945 CA ARG 58 19.670 32.690 35.570 1.00 0.00 C ATOM 946 HA ARG 58 19.210 31.940 36.200 1.00 0.00 H ATOM 947 CB ARG 58 18.950 34.080 35.880 1.00 0.00 C ATOM 948 HB1 ARG 58 17.990 34.110 35.320 1.00 0.00 H ATOM 949 HB2 ARG 58 19.550 34.920 35.480 1.00 0.00 H ATOM 950 CG ARG 58 18.570 34.320 37.360 1.00 0.00 C ATOM 951 HG1 ARG 58 18.280 35.380 37.460 1.00 0.00 H ATOM 952 HG2 ARG 58 19.460 34.180 38.010 1.00 0.00 H ATOM 953 CD ARG 58 17.580 33.300 37.930 1.00 0.00 C ATOM 954 HD1 ARG 58 18.000 32.270 37.950 1.00 0.00 H ATOM 955 HD2 ARG 58 16.670 33.400 37.310 1.00 0.00 H ATOM 956 NE ARG 58 17.150 33.800 39.240 1.00 0.00 N ATOM 957 HE ARG 58 16.360 34.400 39.320 1.00 0.00 H ATOM 958 CZ ARG 58 17.720 33.490 40.390 1.00 0.00 C ATOM 959 NH1 ARG 58 18.770 32.610 40.560 1.00 0.00 N ATOM 960 HH11 ARG 58 19.050 32.110 39.750 1.00 0.00 H ATOM 961 HH12 ARG 58 19.220 32.490 41.450 1.00 0.00 H ATOM 962 NH2 ARG 58 17.310 34.010 41.520 1.00 0.00 N ATOM 963 HH21 ARG 58 16.620 34.730 41.460 1.00 0.00 H ATOM 964 HH22 ARG 58 17.910 33.860 42.310 1.00 0.00 H ATOM 965 C ARG 58 19.620 32.300 34.110 1.00 0.00 C ATOM 966 O ARG 58 18.900 31.390 33.700 1.00 0.00 O ATOM 967 N VAL 59 20.470 32.900 33.280 1.00 0.00 N ATOM 968 HN VAL 59 21.010 33.720 33.450 1.00 0.00 H ATOM 969 CA VAL 59 20.590 32.540 31.910 1.00 0.00 C ATOM 970 HA VAL 59 19.640 32.570 31.400 1.00 0.00 H ATOM 971 CB VAL 59 21.470 33.660 31.240 1.00 0.00 C ATOM 972 HB VAL 59 22.320 33.820 31.930 1.00 0.00 H ATOM 973 CG1 VAL 59 21.860 33.350 29.810 1.00 0.00 C ATOM 974 HG11 VAL 59 22.060 34.270 29.230 1.00 0.00 H ATOM 975 HG12 VAL 59 21.000 32.820 29.360 1.00 0.00 H ATOM 976 HG13 VAL 59 22.700 32.620 29.680 1.00 0.00 H ATOM 977 CG2 VAL 59 20.720 35.040 31.230 1.00 0.00 C ATOM 978 HG21 VAL 59 20.500 35.460 32.240 1.00 0.00 H ATOM 979 HG22 VAL 59 19.790 34.990 30.630 1.00 0.00 H ATOM 980 HG23 VAL 59 21.420 35.790 30.800 1.00 0.00 H ATOM 981 C VAL 59 21.100 31.150 31.600 1.00 0.00 C ATOM 982 O VAL 59 20.560 30.450 30.710 1.00 0.00 O ATOM 983 N VAL 60 22.090 30.710 32.370 1.00 0.00 N ATOM 984 HN VAL 60 22.670 31.350 32.850 1.00 0.00 H ATOM 985 CA VAL 60 22.490 29.320 32.320 1.00 0.00 C ATOM 986 HA VAL 60 22.560 29.130 31.260 1.00 0.00 H ATOM 987 CB VAL 60 23.860 29.080 32.920 1.00 0.00 C ATOM 988 HB VAL 60 23.860 29.670 33.870 1.00 0.00 H ATOM 989 CG1 VAL 60 24.240 27.640 33.160 1.00 0.00 C ATOM 990 HG11 VAL 60 24.510 27.070 32.240 1.00 0.00 H ATOM 991 HG12 VAL 60 23.500 27.070 33.760 1.00 0.00 H ATOM 992 HG13 VAL 60 25.230 27.690 33.660 1.00 0.00 H ATOM 993 CG2 VAL 60 24.840 29.680 31.900 1.00 0.00 C ATOM 994 HG21 VAL 60 25.080 28.960 31.090 1.00 0.00 H ATOM 995 HG22 VAL 60 25.770 30.000 32.420 1.00 0.00 H ATOM 996 HG23 VAL 60 24.410 30.590 31.440 1.00 0.00 H ATOM 997 C VAL 60 21.430 28.350 32.840 1.00 0.00 C ATOM 998 O VAL 60 21.150 27.310 32.200 1.00 0.00 O ATOM 999 N GLU 61 20.800 28.550 33.990 1.00 0.00 N ATOM 1000 HN GLU 61 21.140 29.260 34.610 1.00 0.00 H ATOM 1001 CA GLU 61 19.730 27.770 34.600 1.00 0.00 C ATOM 1002 HA GLU 61 20.040 26.750 34.790 1.00 0.00 H ATOM 1003 CB GLU 61 19.360 28.420 36.010 1.00 0.00 C ATOM 1004 HB1 GLU 61 19.190 29.500 35.830 1.00 0.00 H ATOM 1005 HB2 GLU 61 20.280 28.310 36.630 1.00 0.00 H ATOM 1006 CG GLU 61 18.110 27.720 36.600 1.00 0.00 C ATOM 1007 HG1 GLU 61 18.010 26.610 36.550 1.00 0.00 H ATOM 1008 HG2 GLU 61 17.310 28.210 35.990 1.00 0.00 H ATOM 1009 CD GLU 61 17.870 28.120 38.050 1.00 0.00 C ATOM 1010 OE1 GLU 61 18.530 27.520 38.970 1.00 0.00 O ATOM 1011 OE2 GLU 61 17.160 29.110 38.250 1.00 0.00 O ATOM 1012 C GLU 61 18.530 27.720 33.710 1.00 0.00 C ATOM 1013 O GLU 61 17.910 26.670 33.650 1.00 0.00 O ATOM 1014 N LYS 62 18.180 28.770 32.910 1.00 0.00 N ATOM 1015 HN LYS 62 18.630 29.630 33.160 1.00 0.00 H ATOM 1016 CA LYS 62 17.130 28.740 31.850 1.00 0.00 C ATOM 1017 HA LYS 62 16.270 28.170 32.160 1.00 0.00 H ATOM 1018 CB LYS 62 16.800 30.200 31.430 1.00 0.00 C ATOM 1019 HB1 LYS 62 16.250 30.230 30.470 1.00 0.00 H ATOM 1020 HB2 LYS 62 17.740 30.760 31.230 1.00 0.00 H ATOM 1021 CG LYS 62 15.990 30.950 32.490 1.00 0.00 C ATOM 1022 HG1 LYS 62 16.060 32.050 32.380 1.00 0.00 H ATOM 1023 HG2 LYS 62 16.410 30.730 33.490 1.00 0.00 H ATOM 1024 CD LYS 62 14.500 30.420 32.490 1.00 0.00 C ATOM 1025 HD1 LYS 62 14.610 29.370 32.850 1.00 0.00 H ATOM 1026 HD2 LYS 62 14.210 30.440 31.420 1.00 0.00 H ATOM 1027 CE LYS 62 13.530 31.220 33.340 1.00 0.00 C ATOM 1028 HE1 LYS 62 12.990 31.950 32.690 1.00 0.00 H ATOM 1029 HE2 LYS 62 14.170 31.690 34.120 1.00 0.00 H ATOM 1030 NZ LYS 62 12.590 30.320 34.000 1.00 0.00 N ATOM 1031 HZ1 LYS 62 12.280 29.570 33.350 1.00 0.00 H ATOM 1032 HZ2 LYS 62 11.770 30.870 34.310 1.00 0.00 H ATOM 1033 HZ3 LYS 62 13.040 30.040 34.900 1.00 0.00 H ATOM 1034 C LYS 62 17.700 27.920 30.660 1.00 0.00 C ATOM 1035 O LYS 62 16.950 27.190 30.060 1.00 0.00 O ATOM 1036 N PHE 63 19.000 28.110 30.240 1.00 0.00 N ATOM 1037 HN PHE 63 19.560 28.710 30.810 1.00 0.00 H ATOM 1038 CA PHE 63 19.560 27.420 29.080 1.00 0.00 C ATOM 1039 HA PHE 63 18.820 27.600 28.320 1.00 0.00 H ATOM 1040 CB PHE 63 20.930 27.980 28.720 1.00 0.00 C ATOM 1041 HB1 PHE 63 21.630 27.910 29.580 1.00 0.00 H ATOM 1042 HB2 PHE 63 20.850 29.030 28.360 1.00 0.00 H ATOM 1043 CG PHE 63 21.530 27.230 27.620 1.00 0.00 C ATOM 1044 CD1 PHE 63 21.160 27.350 26.250 1.00 0.00 C ATOM 1045 HD1 PHE 63 20.330 27.990 25.990 1.00 0.00 H ATOM 1046 CE1 PHE 63 21.650 26.560 25.200 1.00 0.00 C ATOM 1047 HE1 PHE 63 21.220 26.710 24.220 1.00 0.00 H ATOM 1048 CZ PHE 63 22.500 25.470 25.550 1.00 0.00 C ATOM 1049 HZ PHE 63 22.980 24.920 24.750 1.00 0.00 H ATOM 1050 CD2 PHE 63 22.440 26.220 27.860 1.00 0.00 C ATOM 1051 HD2 PHE 63 22.930 26.240 28.820 1.00 0.00 H ATOM 1052 CE2 PHE 63 22.860 25.280 26.900 1.00 0.00 C ATOM 1053 HE2 PHE 63 23.570 24.540 27.240 1.00 0.00 H ATOM 1054 C PHE 63 19.580 25.910 29.340 1.00 0.00 C ATOM 1055 O PHE 63 19.300 25.100 28.450 1.00 0.00 O ATOM 1056 N LEU 64 19.870 25.460 30.650 1.00 0.00 N ATOM 1057 HN LEU 64 20.320 26.010 31.350 1.00 0.00 H ATOM 1058 CA LEU 64 19.790 23.990 30.950 1.00 0.00 C ATOM 1059 HA LEU 64 20.150 23.460 30.080 1.00 0.00 H ATOM 1060 CB LEU 64 20.600 23.490 32.200 1.00 0.00 C ATOM 1061 HB1 LEU 64 20.540 22.390 32.330 1.00 0.00 H ATOM 1062 HB2 LEU 64 20.200 23.950 33.130 1.00 0.00 H ATOM 1063 CG LEU 64 22.090 23.880 32.120 1.00 0.00 C ATOM 1064 HG LEU 64 22.180 24.980 32.020 1.00 0.00 H ATOM 1065 CD1 LEU 64 22.850 23.510 33.390 1.00 0.00 C ATOM 1066 HD11 LEU 64 23.790 24.090 33.530 1.00 0.00 H ATOM 1067 HD12 LEU 64 23.130 22.440 33.400 1.00 0.00 H ATOM 1068 HD13 LEU 64 22.240 23.830 34.260 1.00 0.00 H ATOM 1069 CD2 LEU 64 22.840 23.300 30.880 1.00 0.00 C ATOM 1070 HD21 LEU 64 22.510 23.830 29.960 1.00 0.00 H ATOM 1071 HD22 LEU 64 22.500 22.250 30.710 1.00 0.00 H ATOM 1072 HD23 LEU 64 23.940 23.460 30.870 1.00 0.00 H ATOM 1073 C LEU 64 18.330 23.440 30.960 1.00 0.00 C ATOM 1074 O LEU 64 18.020 22.360 30.520 1.00 0.00 O ATOM 1075 N LYS 65 17.380 24.250 31.410 1.00 0.00 N ATOM 1076 HN LYS 65 17.700 25.020 31.960 1.00 0.00 H ATOM 1077 CA LYS 65 15.910 23.970 31.210 1.00 0.00 C ATOM 1078 HA LYS 65 15.750 23.080 31.800 1.00 0.00 H ATOM 1079 CB LYS 65 15.020 24.950 31.940 1.00 0.00 C ATOM 1080 HB1 LYS 65 15.270 26.010 31.720 1.00 0.00 H ATOM 1081 HB2 LYS 65 15.220 24.750 33.020 1.00 0.00 H ATOM 1082 CG LYS 65 13.490 24.870 31.710 1.00 0.00 C ATOM 1083 HG1 LYS 65 13.150 23.830 31.880 1.00 0.00 H ATOM 1084 HG2 LYS 65 13.320 25.040 30.620 1.00 0.00 H ATOM 1085 CD LYS 65 12.650 25.950 32.440 1.00 0.00 C ATOM 1086 HD1 LYS 65 12.890 26.930 31.980 1.00 0.00 H ATOM 1087 HD2 LYS 65 13.000 25.840 33.490 1.00 0.00 H ATOM 1088 CE LYS 65 11.220 25.550 32.380 1.00 0.00 C ATOM 1089 HE1 LYS 65 11.040 24.500 32.700 1.00 0.00 H ATOM 1090 HE2 LYS 65 10.840 25.720 31.350 1.00 0.00 H ATOM 1091 NZ LYS 65 10.440 26.370 33.300 1.00 0.00 N ATOM 1092 HZ1 LYS 65 10.860 26.740 34.180 1.00 0.00 H ATOM 1093 HZ2 LYS 65 9.630 25.790 33.580 1.00 0.00 H ATOM 1094 HZ3 LYS 65 10.210 27.270 32.830 1.00 0.00 H ATOM 1095 C LYS 65 15.400 23.730 29.800 1.00 0.00 C ATOM 1096 O LYS 65 14.530 22.920 29.580 1.00 0.00 O ATOM 1097 N ARG 66 15.970 24.450 28.820 1.00 0.00 N ATOM 1098 HN ARG 66 16.780 24.970 29.080 1.00 0.00 H ATOM 1099 CA ARG 66 15.610 24.420 27.380 1.00 0.00 C ATOM 1100 HA ARG 66 14.540 24.540 27.320 1.00 0.00 H ATOM 1101 CB ARG 66 16.270 25.480 26.410 1.00 0.00 C ATOM 1102 HB1 ARG 66 15.920 25.340 25.370 1.00 0.00 H ATOM 1103 HB2 ARG 66 17.370 25.370 26.560 1.00 0.00 H ATOM 1104 CG ARG 66 15.770 26.880 26.770 1.00 0.00 C ATOM 1105 HG1 ARG 66 15.720 27.060 27.860 1.00 0.00 H ATOM 1106 HG2 ARG 66 14.710 26.930 26.450 1.00 0.00 H ATOM 1107 CD ARG 66 16.560 28.100 26.160 1.00 0.00 C ATOM 1108 HD1 ARG 66 17.640 28.150 26.430 1.00 0.00 H ATOM 1109 HD2 ARG 66 16.180 29.050 26.600 1.00 0.00 H ATOM 1110 NE ARG 66 16.370 28.020 24.670 1.00 0.00 N ATOM 1111 HE ARG 66 15.450 27.830 24.330 1.00 0.00 H ATOM 1112 CZ ARG 66 17.370 27.940 23.790 1.00 0.00 C ATOM 1113 NH1 ARG 66 18.540 28.420 23.970 1.00 0.00 N ATOM 1114 HH11 ARG 66 18.560 29.120 24.680 1.00 0.00 H ATOM 1115 HH12 ARG 66 19.020 28.650 23.120 1.00 0.00 H ATOM 1116 NH2 ARG 66 17.110 27.460 22.580 1.00 0.00 N ATOM 1117 HH21 ARG 66 16.250 26.960 22.530 1.00 0.00 H ATOM 1118 HH22 ARG 66 17.840 26.960 22.120 1.00 0.00 H ATOM 1119 C ARG 66 15.930 23.050 26.800 1.00 0.00 C ATOM 1120 O ARG 66 15.310 22.550 25.900 1.00 0.00 O ATOM 1121 N ALA 67 17.030 22.350 27.260 1.00 0.00 N ATOM 1122 HN ALA 67 17.680 22.690 27.930 1.00 0.00 H ATOM 1123 CA ALA 67 17.310 21.000 26.770 1.00 0.00 C ATOM 1124 HA ALA 67 17.420 21.020 25.700 1.00 0.00 H ATOM 1125 CB ALA 67 18.680 20.580 27.310 1.00 0.00 C ATOM 1126 HB1 ALA 67 18.680 20.370 28.400 1.00 0.00 H ATOM 1127 HB2 ALA 67 19.530 21.280 27.240 1.00 0.00 H ATOM 1128 HB3 ALA 67 19.010 19.710 26.700 1.00 0.00 H ATOM 1129 C ALA 67 16.180 20.020 27.120 1.00 0.00 C ATOM 1130 O ALA 67 15.810 19.110 26.400 1.00 0.00 O ATOM 1131 N GLU 68 15.720 20.050 28.410 1.00 0.00 N ATOM 1132 HN GLU 68 16.070 20.780 28.990 1.00 0.00 H ATOM 1133 CA GLU 68 14.650 19.180 28.950 1.00 0.00 C ATOM 1134 HA GLU 68 14.910 18.140 28.830 1.00 0.00 H ATOM 1135 CB GLU 68 14.510 19.300 30.510 1.00 0.00 C ATOM 1136 HB1 GLU 68 13.740 18.600 30.880 1.00 0.00 H ATOM 1137 HB2 GLU 68 14.200 20.330 30.770 1.00 0.00 H ATOM 1138 CG GLU 68 15.830 18.930 31.260 1.00 0.00 C ATOM 1139 HG1 GLU 68 16.510 19.790 31.080 1.00 0.00 H ATOM 1140 HG2 GLU 68 16.210 17.940 30.930 1.00 0.00 H ATOM 1141 CD GLU 68 15.590 18.830 32.820 1.00 0.00 C ATOM 1142 OE1 GLU 68 14.810 18.010 33.340 1.00 0.00 O ATOM 1143 OE2 GLU 68 16.130 19.680 33.560 1.00 0.00 O ATOM 1144 C GLU 68 13.320 19.410 28.210 1.00 0.00 C ATOM 1145 O GLU 68 12.590 18.460 27.810 1.00 0.00 O ATOM 1146 N ASN 69 12.990 20.680 27.960 1.00 0.00 N ATOM 1147 HN ASN 69 13.560 21.400 28.340 1.00 0.00 H ATOM 1148 CA ASN 69 11.940 21.220 27.140 1.00 0.00 C ATOM 1149 HA ASN 69 11.090 20.850 27.700 1.00 0.00 H ATOM 1150 CB ASN 69 11.900 22.760 26.850 1.00 0.00 C ATOM 1151 HB1 ASN 69 11.060 23.000 26.150 1.00 0.00 H ATOM 1152 HB2 ASN 69 12.900 22.970 26.410 1.00 0.00 H ATOM 1153 CG ASN 69 11.600 23.580 28.140 1.00 0.00 C ATOM 1154 OD1 ASN 69 11.020 23.030 29.100 1.00 0.00 O ATOM 1155 ND2 ASN 69 11.970 24.900 28.150 1.00 0.00 N ATOM 1156 HD21 ASN 69 12.310 25.300 27.300 1.00 0.00 H ATOM 1157 HD22 ASN 69 11.720 25.360 29.000 1.00 0.00 H ATOM 1158 C ASN 69 11.830 20.530 25.830 1.00 0.00 C ATOM 1159 O ASN 69 12.730 20.620 25.000 1.00 0.00 O ATOM 1160 N SER 70 10.770 19.810 25.630 1.00 0.00 N ATOM 1161 HN SER 70 10.070 19.630 26.310 1.00 0.00 H ATOM 1162 CA SER 70 10.670 18.830 24.490 1.00 0.00 C ATOM 1163 HA SER 70 11.620 18.340 24.350 1.00 0.00 H ATOM 1164 CB SER 70 9.590 17.690 24.770 1.00 0.00 C ATOM 1165 HB1 SER 70 9.640 17.100 23.830 1.00 0.00 H ATOM 1166 HB2 SER 70 8.650 18.250 24.940 1.00 0.00 H ATOM 1167 OG SER 70 10.000 17.010 25.930 1.00 0.00 O ATOM 1168 HG1 SER 70 9.840 17.540 26.710 1.00 0.00 H ATOM 1169 C SER 70 10.230 19.500 23.150 1.00 0.00 C ATOM 1170 OT1 SER 70 9.160 20.180 23.210 1.00 0.00 O ATOM 1171 OT2 SER 70 10.910 19.310 22.090 1.00 0.00 O TER ENDMDL A second structure was input as follows:HEADER IMMUNE SYSTEM 03-AUG-15 5D14 TITLE THE ATOMIC RESOLUTION CRYSTAL STRUCTURE OF HUMAN IL-8 COMPND MOL_ID: 1; COMPND 2 MOLECULE: INTERLEUKIN-8; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 30-99; COMPND 5 SYNONYM: IL-8,C-X-C MOTIF CHEMOKINE 8,CHEMOKINE (C-X-C MOTIF) LIGAND COMPND 6 8,EMOCTAKIN,GRANULOCYTE CHEMOTACTIC PROTEIN 1,GCP-1,MONOCYTE-DERIVED COMPND 7 NEUTROPHIL CHEMOTACTIC FACTOR,MDNCF,MONOCYTE-DERIVED NEUTROPHIL- COMPND 8 ACTIVATING PEPTIDE,MONAP,NEUTROPHIL-ACTIVATING PROTEIN 1,NAP-1, COMPND 9 PROTEIN 3-10C,T-CELL CHEMOTACTIC FACTOR; COMPND 10 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: CXCL8, IL8; SOURCE 6 EXPRESSION_SYSTEM: KOMAGATAELLA PASTORIS; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 4922; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: X33; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PPICZALPHAA KEYWDS CYTOKINE, CHEMOKINE, IL8-LIKE FOLD, INFLAMMATION, IMMUNE SYSTEM EXPDTA X-RAY DIFFRACTION AUTHOR K.BRZEZINSKI,Y.POMPEU,S.LU,J.JAKONCIC,D.A.OSTROV REVDAT 3 23-OCT-24 5D14 1 REMARK REVDAT 2 22-NOV-17 5D14 1 REMARK REVDAT 1 23-DEC-15 5D14 0 JRNL AUTH K.BRZEZINSKI,Y.POMPEU,S.LU,J.JAKONCIC,D.A.OSTROV JRNL TITL THE ATOMIC RESOLUTION CRYSTAL STRUCTURE OF HUMAN IL-8 JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : SHELX REMARK 3 AUTHORS : G.M.SHELDRICK REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 25.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM SELECTION REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (NO CUTOFF). REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.112 REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.112 REMARK 3 FREE R VALUE (NO CUTOFF) : 0.135 REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 2272 REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F). REMARK 3 R VALUE (WORKING + TEST SET, F>4SIG(F)) : NULL REMARK 3 R VALUE (WORKING SET, F>4SIG(F)) : NULL REMARK 3 FREE R VALUE (F>4SIG(F)) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (F>4SIG(F)) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (F>4SIG(F)) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 577 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 131 REMARK 3 REMARK 3 MODEL REFINEMENT. REMARK 3 OCCUPANCY SUM OF NON-HYDROGEN ATOMS : NULL REMARK 3 OCCUPANCY SUM OF HYDROGEN ATOMS : NULL REMARK 3 NUMBER OF DISCRETELY DISORDERED RESIDUES : NULL REMARK 3 NUMBER OF LEAST-SQUARES PARAMETERS : NULL REMARK 3 NUMBER OF RESTRAINTS : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM RESTRAINT TARGET VALUES. REMARK 3 BOND LENGTHS (A) : NULL REMARK 3 ANGLE DISTANCES (A) : NULL REMARK 3 SIMILAR DISTANCES (NO TARGET VALUES) (A) : NULL REMARK 3 DISTANCES FROM RESTRAINT PLANES (A) : NULL REMARK 3 ZERO CHIRAL VOLUMES (A**3) : NULL REMARK 3 NON-ZERO CHIRAL VOLUMES (A**3) : NULL REMARK 3 ANTI-BUMPING DISTANCE RESTRAINTS (A) : NULL REMARK 3 RIGID-BOND ADP COMPONENTS (A**2) : NULL REMARK 3 SIMILAR ADP COMPONENTS (A**2) : NULL REMARK 3 APPROXIMATELY ISOTROPIC ADPS (A**2) : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED: NULL REMARK 3 REMARK 3 STEREOCHEMISTRY TARGET VALUES : NULL REMARK 3 SPECIAL CASE: NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 5D14 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-AUG-15. REMARK 100 THE DEPOSITION ID IS D_1000207374. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 19-MAR-10 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X6A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.80510 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 210 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 45453 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.000 REMARK 200 RESOLUTION RANGE LOW (A) : 25.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 94.6 REMARK 200 DATA REDUNDANCY : 18.20 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 60.4100 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 50.65 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.49 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.17 M AMMONIUM ACETATE, 0.085 M REMARK 280 SODIUM CITRATE TRIBASIC DIHYDRATE PH 5.6, 20% W/V POLYETHYLENE REMARK 280 GLYCOL 4,000, 15% V/V GLYCEROL. ALL CRYSTALS WERE GROWN AT 18 REMARK 280 DEG C., VAPOR DIFFUSION, TEMPERATURE 291.0K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+2/3 REMARK 290 6555 -X,-X+Y,-Z+1/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 29.83867 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 59.67733 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 59.67733 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 29.83867 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 HIS A 16 CG - ND1 - CE1 ANGL. DEV. = 6.0 DEGREES REMARK 500 LEU A 64 CB - CG - CD1 ANGL. DEV. = -10.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 229 DISTANCE = 5.87 ANGSTROMS REMARK 525 HOH A 230 DISTANCE = 6.00 ANGSTROMS REMARK 525 HOH A 231 DISTANCE = 6.23 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4XDX RELATED DB: PDB DBREF 5D14 A 1 70 UNP P10145 IL8_HUMAN 30 99 SEQRES 1 A 70 LYS GLU LEU ARG CYS GLN CYS ILE LYS THR TYR SER LYS SEQRES 2 A 70 PRO PHE HIS PRO LYS PHE ILE LYS GLU LEU ARG VAL ILE SEQRES 3 A 70 GLU SER GLY PRO HIS CYS ALA ASN THR GLU ILE ILE VAL SEQRES 4 A 70 LYS LEU SER ASP GLY ARG GLU LEU CYS LEU ASP PRO LYS SEQRES 5 A 70 GLU ASN TRP VAL GLN ARG VAL VAL GLU LYS PHE LEU LYS SEQRES 6 A 70 ARG ALA GLU ASN SER FORMUL 2 HOH *131(H2 O) HELIX 1 AA1 HIS A 16 LYS A 18 5 3 HELIX 2 AA2 GLU A 53 ASN A 69 1 17 SHEET 1 AA1 3 ILE A 20 ILE A 26 0 SHEET 2 AA1 3 GLU A 36 LEU A 41 -1 O LYS A 40 N LYS A 21 SHEET 3 AA1 3 GLU A 46 LEU A 49 -1 O LEU A 47 N VAL A 39 SSBOND 1 CYS A 5 CYS A 32 1555 1555 2.11 SSBOND 2 CYS A 7 CYS A 48 1555 1555 2.08 CRYST1 39.877 39.877 89.516 90.00 90.00 120.00 P 31 2 1 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.025077 0.014478 0.000000 0.00000 SCALE2 0.000000 0.028957 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011171 0.00000 ATOM 1 N LYS A 1 14.341 27.853 6.854 0.40 18.01 N ANISOU 1 N LYS A 1 1279 2418 2976 278 938 194 N ATOM 2 CA LYS A 1 14.103 26.464 7.122 0.40 14.56 C ANISOU 2 CA LYS A 1 1602 2145 1647 162 221 -518 C ATOM 3 C LYS A 1 12.795 26.280 7.871 0.40 11.32 C ANISOU 3 C LYS A 1 1569 1746 879 364 164 79 C ATOM 4 O LYS A 1 12.293 25.148 7.856 0.40 13.36 O ANISOU 4 O LYS A 1 1987 1685 1278 479 396 -198 O ATOM 5 CB LYS A 1 15.263 25.832 7.917 0.40 17.77 C ANISOU 5 CB LYS A 1 1577 2249 2759 389 60 -462 C ATOM 6 CG LYS A 1 16.623 25.930 7.289 0.40 19.37 C ANISOU 6 CG LYS A 1 1931 2848 2398 893 352 96 C ATOM 7 CD LYS A 1 17.393 24.630 7.476 0.10 18.37 C ANISOU 7 CD LYS A 1 2007 3041 1758 1038 105 72 C ATOM 8 CE LYS A 1 18.863 24.869 7.753 0.10 19.57 C ANISOU 8 CE LYS A 1 1881 3231 2138 1147 430 -805 C ATOM 9 NZ LYS A 1 19.571 23.655 8.259 0.10 22.07 N ANISOU 9 NZ LYS A 1 2014 3027 3137 1698 -200 -1859 N ATOM 10 N GLU A 2 12.305 27.298 8.574 1.00 14.84 N ANISOU 10 N GLU A 2 1930 1894 1674 351 381 -65 N ATOM 11 CA GLU A 2 11.072 27.166 9.338 0.50 9.64 C ANISOU 11 CA GLU A 2 1402 1363 809 211 -1 -148 C ATOM 12 C GLU A 2 10.034 28.175 8.806 1.00 12.51 C ANISOU 12 C GLU A 2 1679 1694 1263 337 -177 -150 C ATOM 13 O GLU A 2 10.160 29.356 9.006 1.00 15.90 O ANISOU 13 O GLU A 2 2311 1570 2013 342 -284 -388 O ATOM 14 CB GLU A 2 11.306 27.371 10.838 0.50 9.68 C ANISOU 14 CB GLU A 2 1352 1185 1050 391 -102 -167 C ATOM 15 CG GLU A 2 12.422 26.490 11.377 0.50 9.77 C ANISOU 15 CG GLU A 2 1251 1300 1070 391 -22 -67 C ATOM 16 CD GLU A 2 11.980 25.039 11.375 0.50 9.07 C ANISOU 16 CD GLU A 2 1222 1292 845 349 -195 -81 C ATOM 17 OE1 GLU A 2 10.771 24.782 11.560 0.50 11.28 O ANISOU 17 OE1 GLU A 2 1314 1621 1245 301 172 26 O ATOM 18 OE2 GLU A 2 12.871 24.170 11.250 0.50 11.36 O ANISOU 18 OE2 GLU A 2 1272 1360 1579 302 -24 -186 O ATOM 19 H GLU A 2 12.734 28.066 8.577 1.00 17.81 H ATOM 20 N LEU A 3 9.104 27.644 8.048 1.00 12.99 N ANISOU 20 N LEU A 3 1672 1851 1292 59 -113 -79 N ATOM 21 CA LEU A 3 8.174 28.459 7.266 1.00 12.86 C ANISOU 21 CA LEU A 3 1561 1992 1213 26 -52 158 C ATOM 22 C LEU A 3 6.751 28.207 7.660 1.00 11.33 C ANISOU 22 C LEU A 3 1615 1535 1048 -64 67 -96 C ATOM 23 O LEU A 3 6.385 27.058 7.924 1.00 12.87 O ANISOU 23 O LEU A 3 2047 1597 1124 -8 208 87 O ATOM 24 CB LEU A 3 8.304 28.156 5.774 1.00 17.24 C ANISOU 24 CB LEU A 3 1807 3397 1183 -665 222 141 C ATOM 25 CG LEU A 3 9.684 28.413 5.169 1.00 19.29 C ANISOU 25 CG LEU A 3 1803 3656 1689 -250 403 125 C ATOM 26 CD1 LEU A 3 9.641 28.070 3.704 1.00 25.33 C ANISOU 26 CD1 LEU A 3 2697 4941 1747 -516 945 -189 C ATOM 27 CD2 LEU A 3 10.131 29.855 5.374 1.00 28.35 C ANISOU 27 CD2 LEU A 3 3199 4633 2674 -1963 628 -53 C ATOM 28 H LEU A 3 9.037 26.767 8.010 1.00 15.59 H ATOM 29 HA LEU A 3 8.385 29.424 7.418 1.00 15.43 H ATOM 30 HB2 LEU A 3 8.070 27.206 5.626 1.00 20.68 H ATOM 31 HB3 LEU A 3 7.641 28.706 5.285 1.00 20.68 H ATOM 32 HG LEU A 3 10.344 27.810 5.617 1.00 23.15 H ATOM 33 HD11 LEU A 3 9.352 27.141 3.595 1.00 37.99 H ATOM 34 HD12 LEU A 3 9.010 28.665 3.248 1.00 37.99 H ATOM 35 HD13 LEU A 3 10.534 28.183 3.316 1.00 37.99 H ATOM 36 HD21 LEU A 3 10.152 30.057 6.333 1.00 42.52 H ATOM 37 HD22 LEU A 3 11.027 29.976 4.995 1.00 42.52 H ATOM 38 N ARG A 4 5.949 29.265 7.641 1.00 11.24 N ANISOU 38 N ARG A 4 1612 1415 1138 -110 -88 -45 N ATOM 39 CA ARG A 4 4.520 29.139 7.748 1.00 10.83 C ANISOU 39 CA ARG A 4 1693 1364 957 42 -49 -50 C ATOM 40 C ARG A 4 3.986 28.381 6.516 1.00 10.23 C ANISOU 40 C ARG A 4 1511 1348 934 10 8 -69 C ATOM 41 O ARG A 4 4.712 28.098 5.588 1.00 12.59 O ANISOU 41 O ARG A 4 1669 1957 1040 -122 89 -316 O ATOM 42 CB ARG A 4 3.872 30.492 7.890 1.00 11.55 C ANISOU 42 CB ARG A 4 1784 1375 1122 42 -88 -274 C ATOM 43 CG ARG A 4 3.988 31.358 6.690 1.00 13.13 C ANISOU 43 CG ARG A 4 1875 1577 1414 191 -178 48 C ATOM 44 CD ARG A 4 3.323 32.729 6.926 1.00 16.93 C ANISOU 44 CD ARG A 4 3049 1421 1803 319 -108 -170 C ATOM 45 NE AARG A 4 3.822 33.668 5.920 0.54 23.04 N ANISOU 45 NE AARG A 4 3918 1916 2705 1303 895 551 N ATOM 46 NE BARG A 4 3.140 33.404 5.636 0.46 25.25 N ANISOU 46 NE BARG A 4 4184 2322 2850 703 -502 1018 N ATOM 47 CZ AARG A 4 3.311 33.787 4.702 0.54 26.71 C ANISOU 47 CZ AARG A 4 5345 1976 2577 1547 765 679 C ATOM 48 CZ BARG A 4 3.991 34.308 5.166 0.46 24.21 C ANISOU 48 CZ BARG A 4 3622 2113 3237 1906 1287 900 C ATOM 49 NH1AARG A 4 2.277 33.043 4.346 0.54 39.27 N ANISOU 49 NH1AARG A 4 9390 1835 3328 117 -1019 -758 N ATOM 50 NH1BARG A 4 5.061 34.650 5.870 0.46 30.07 N ANISOU 50 NH1BARG A 4 1924 3162 6058 1727 1519 920 N ATOM 51 NH2AARG A 4 3.836 34.669 3.865 0.54 33.83 N ANISOU 51 NH2AARG A 4 6923 2257 3358 2762 2228 1301 N ATOM 52 NH2BARG A 4 3.772 34.884 3.993 0.46 48.96 N ANISOU 52 NH2BARG A 4 9803 4200 4139 318 497 2468 N ATOM 53 H ARG A 4 6.302 30.067 7.561 1.00 13.49 H ATOM 54 HA ARG A 4 4.311 28.602 8.565 1.00 13.00 H ATOM 55 HB2 ARG A 4 2.912 30.363 8.095 1.00 13.86 H ATOM 56 HB3 ARG A 4 4.282 30.960 8.659 1.00 13.86 H ATOM 57 HG2 ARG A 4 4.944 31.490 6.471 1.00 15.76 H ATOM 58 HG3 ARG A 4 3.556 30.912 5.919 1.00 15.76 H ATOM 59 N CYS A 5 2.685 28.094 6.532 1.00 10.18 N ANISOU 59 N CYS A 5 1543 1254 976 53 -5 -120 N ATOM 60 CA CYS A 5 2.026 27.403 5.424 1.00 9.80 C ANISOU 60 CA CYS A 5 1501 1233 899 177 -122 -184 C ATOM 61 C CYS A 5 2.489 27.958 4.093 1.00 10.17 C ANISOU 61 C CYS A 5 1621 1151 996 88 -172 -37 C ATOM 62 O CYS A 5 2.481 29.168 3.883 1.00 12.64 O ANISOU 62 O CYS A 5 2262 1172 1251 202 -152 6 O ATOM 63 CB CYS A 5 0.540 27.536 5.448 1.00 11.43 C ANISOU 63 CB CYS A 5 1481 1541 1215 271 -170 -53 C ATOM 64 SG CYS A 5 -0.285 27.034 6.996 1.00 12.58 S ANISOU 64 SG CYS A 5 1605 1803 1254 325 -88 -42 S ATOM 65 H CYS A 5 2.206 28.328 7.232 1.00 12.22 H ATOM 66 HA CYS A 5 2.262 26.432 5.467 1.00 11.77 H ATOM 67 HB2 CYS A 5 0.311 28.482 5.267 1.00 13.72 H ATOM 68 HB3 CYS A 5 0.168 26.994 4.708 1.00 13.72 H ATOM 69 N GLN A 6 2.941 27.046 3.210 1.00 9.97 N ANISOU 69 N GLN A 6 1552 1191 953 25 -116 17 N ATOM 70 CA GLN A 6 3.513 27.387 1.938 1.00 10.80 C ANISOU 70 CA GLN A 6 1563 1558 883 20 -51 -26 C ATOM 71 C GLN A 6 2.485 27.388 0.801 1.00 11.21 C ANISOU 71 C GLN A 6 1705 1558 891 65 -30 99 C ATOM 72 O GLN A 6 2.831 27.873 -0.293 1.00 14.02 O ANISOU 72 O GLN A 6 2106 2080 1010 49 -46 214 O ATOM 73 CB GLN A 6 4.585 26.296 1.544 1.00 13.87 C ANISOU 73 CB GLN A 6 1718 2203 1219 379 193 294 C ATOM 74 CG GLN A 6 5.770 26.527 2.549 1.00 15.34 C ANISOU 74 CG GLN A 6 1692 2289 1702 423 52 195 C ATOM 75 CD GLN A 6 6.931 25.700 2.373 1.00 15.15 C ANISOU 75 CD GLN A 6 1789 2228 1599 433 90 -25 C ATOM 76 OE1 GLN A 6 7.557 25.726 1.285 1.00 19.78 O ANISOU 76 OE1 GLN A 6 1926 3582 1822 434 352 -10 O ATOM 77 NE2 GLN A 6 7.371 24.976 3.378 1.00 16.86 N ANISOU 77 NE2 GLN A 6 1774 2387 2087 437 91 341 N ATOM 78 H GLN A 6 2.882 26.194 3.424 1.00 11.97 H ATOM 79 HA GLN A 6 3.952 28.284 1.996 1.00 12.96 H ATOM 80 HB2 GLN A 6 4.211 25.384 1.644 1.00 16.64 H ATOM 81 HB3 GLN A 6 4.886 26.419 0.609 1.00 16.64 H ATOM 82 HG2 GLN A 6 6.053 27.473 2.480 1.00 18.41 H ATOM 83 HG3 GLN A 6 5.428 26.387 3.467 1.00 18.41 H ATOM 84 HE21 GLN A 6 8.110 24.505 3.291 1.00 20.23 H ATOM 85 HE22 GLN A 6 6.928 24.962 4.138 1.00 20.23 H ATOM 86 N CYS A 7 1.346 26.813 1.030 1.00 10.13 N ANISOU 86 N CYS A 7 1522 1311 923 272 -204 -149 N ATOM 87 CA CYS A 7 0.326 26.671 -0.017 1.00 11.18 C ANISOU 87 CA CYS A 7 1644 1473 1025 383 -243 -242 C ATOM 88 C CYS A 7 -0.798 27.647 0.188 1.00 12.40 C ANISOU 88 C CYS A 7 1835 1584 1176 583 -287 -311 C ATOM 89 O CYS A 7 -1.268 27.795 1.310 1.00 18.47 O ANISOU 89 O CYS A 7 2624 2537 1685 1168 364 -93 O ATOM 90 CB CYS A 7 -0.232 25.266 0.011 1.00 11.75 C ANISOU 90 CB CYS A 7 1522 1496 1334 254 -289 -390 C ATOM 91 SG CYS A 7 0.991 23.997 -0.243 1.00 12.76 S ANISOU 91 SG CYS A 7 1700 1593 1435 463 -442 -427 S ATOM 92 H CYS A 7 1.179 26.499 1.835 1.00 12.16 H ATOM 93 HA CYS A 7 0.747 26.839 -0.908 1.00 13.41 H ATOM 94 HB2 CYS A 7 -0.671 25.115 0.885 1.00 14.09 H ATOM 95 HB3 CYS A 7 -0.925 25.185 -0.691 1.00 14.09 H ATOM 96 N ILE A 8 -1.190 28.327 -0.895 1.00 13.48 N ANISOU 96 N ILE A 8 2076 1514 1407 454 -487 -313 N ATOM 97 CA ILE A 8 -2.402 29.165 -0.761 1.00 16.93 C ANISOU 97 CA ILE A 8 2467 1581 2224 908 -1053 -676 C ATOM 98 C ILE A 8 -3.605 28.480 -1.361 1.00 15.01 C ANISOU 98 C ILE A 8 2160 1765 1636 924 -570 -669 C ATOM 99 O ILE A 8 -4.703 28.928 -1.051 1.00 16.07 O ANISOU 99 O ILE A 8 2127 1779 2049 563 55 -738 O ATOM 100 CB ILE A 8 -2.171 30.612 -1.200 1.00 22.59 C ANISOU 100 CB ILE A 8 3214 1715 3440 675 -1047 -276 C ATOM 101 CG1 ILE A 8 -1.349 30.677 -2.489 0.80 26.28 C ANISOU 101 CG1 ILE A 8 4311 2716 2713 1147 -1236 709 C ATOM 102 CG2 ILE A 8 -1.505 31.492 -0.155 0.80 24.18 C ANISOU 102 CG2 ILE A 8 2615 2197 4148 401 -550 -1234 C ATOM 103 CD1 ILE A 8 -2.254 30.482 -3.677 0.80 34.50 C ANISOU 103 CD1 ILE A 8 5562 3808 3414 -2148 -1770 751 C ATOM 104 H ILE A 8 -0.747 28.277 -1.654 1.00 16.18 H ATOM 105 HA ILE A 8 -2.585 29.211 0.221 1.00 20.31 H ATOM 106 N LYS A 9 -3.430 27.438 -2.175 1.00 12.19 N ANISOU 106 N LYS A 9 1756 1394 1369 595 -313 -364 N ATOM 107 CA LYS A 9 -4.539 26.714 -2.770 1.00 12.45 C ANISOU 107 CA LYS A 9 1483 1547 1583 639 -251 -426 C ATOM 108 C LYS A 9 -4.021 25.339 -3.173 1.00 10.99 C ANISOU 108 C LYS A 9 1462 1376 1235 431 -98 -232 C ATOM 109 O LYS A 9 -2.787 25.166 -3.284 1.00 12.59 O ANISOU 109 O LYS A 9 1382 1426 1860 366 -138 -384 O ATOM 110 CB LYS A 9 -5.106 27.428 -3.981 1.00 15.74 C ANISOU 110 CB LYS A 9 2185 1634 2015 870 -796 -369 C ATOM 111 CG LYS A 9 -4.062 27.514 -5.136 1.00 18.55 C ANISOU 111 CG LYS A 9 3444 1889 1539 925 -486 -3 C ATOM 112 CD LYS A 9 -4.652 28.429 -6.240 1.00 29.42 C ANISOU 112 CD LYS A 9 5558 2894 2448 1613 -732 698 C ATOM 113 CE LYS A 9 -3.644 28.570 -7.355 1.00 35.65 C ANISOU 113 CE LYS A 9 7833 3500 1877 989 -180 821 C ATOM 114 NZ LYS A 9 -4.053 29.509 -8.429 0.50 27.87 N ANISOU 114 NZ LYS A 9 5591 2068 2667 -212 -1304 529 N ATOM 115 H LYS A 9 -2.610 27.178 -2.358 1.00 14.63 H ATOM 116 HA LYS A 9 -5.262 26.604 -2.087 1.00 14.94 H ATOM 117 HB2 LYS A 9 -5.908 26.944 -4.300 1.00 18.89 H ATOM 118 HB3 LYS A 9 -5.383 28.342 -3.722 1.00 18.89 H ATOM 119 HG2 LYS A 9 -3.211 27.890 -4.800 1.00 22.26 H ATOM 120 HG3 LYS A 9 -3.883 26.611 -5.502 1.00 22.26 H ATOM 121 HD2 LYS A 9 -5.490 28.035 -6.591 1.00 35.30 H ATOM 122 HD3 LYS A 9 -4.862 29.319 -5.861 1.00 35.30 H ATOM 123 HE2 LYS A 9 -2.787 28.882 -6.970 1.00 42.78 H ATOM 124 HE3 LYS A 9 -3.487 27.679 -7.755 1.00 42.78 H ATOM 125 N THR A 10 -4.917 24.402 -3.366 1.00 10.77 N ANISOU 125 N THR A 10 1238 1480 1272 396 -69 -251 N ATOM 126 CA THR A 10 -4.559 23.104 -3.889 1.00 9.63 C ANISOU 126 CA THR A 10 1105 1423 1041 280 -67 -246 C ATOM 127 C THR A 10 -5.168 22.919 -5.265 1.00 10.37 C ANISOU 127 C THR A 10 1153 1557 1131 434 -183 -166 C ATOM 128 O THR A 10 -6.208 23.526 -5.615 1.00 13.22 O ANISOU 128 O THR A 10 1324 2184 1391 647 -383 -271 O ATOM 129 CB THR A 10 -5.003 21.920 -2.954 1.00 10.96 C ANISOU 129 CB THR A 10 1325 1649 1088 231 -12 -130 C ATOM 130 OG1 THR A 10 -6.406 22.097 -2.689 1.00 14.16 O ANISOU 130 OG1 THR A 10 1437 2200 1608 18 243 -233 O ATOM 131 CG2 THR A 10 -4.242 21.982 -1.640 1.00 12.81 C ANISOU 131 CG2 THR A 10 1958 1739 1050 295 -87 -96 C ATOM 132 H THR A 10 -5.759 24.568 -3.172 1.00 12.92 H ATOM 133 HA THR A 10 -3.564 23.070 -3.983 1.00 11.56 H ATOM 134 HB THR A 10 -4.843 21.043 -3.407 1.00 13.15 H ATOM 135 HG1 THR A 10 -6.523 22.213 -1.865 1.00 21.23 H ATOM 136 HG21 THR A 10 -3.284 21.863 -1.811 1.00 19.22 H ATOM 137 HG22 THR A 10 -4.392 22.853 -1.216 1.00 19.22 H ATOM 138 HG23 THR A 10 -4.559 21.271 -1.045 1.00 19.22 H ATOM 139 N TYR A 11 -4.534 22.119 -6.059 1.00 9.74 N ANISOU 139 N TYR A 11 1204 1451 955 378 -291 -147 N ATOM 140 CA TYR A 11 -4.935 21.821 -7.435 1.00 9.44 C ANISOU 140 CA TYR A 11 1099 1504 896 204 -265 -79 C ATOM 141 C TYR A 11 -5.901 20.653 -7.445 1.00 9.19 C ANISOU 141 C TYR A 11 1067 1532 808 195 -81 -28 C ATOM 142 O TYR A 11 -5.600 19.593 -6.932 1.00 10.36 O ANISOU 142 O TYR A 11 1328 1489 1023 136 -104 95 O ATOM 143 CB TYR A 11 -3.680 21.491 -8.282 1.00 9.82 C ANISOU 143 CB TYR A 11 1116 1622 901 196 -149 -28 C ATOM 144 CG TYR A 11 -4.073 21.424 -9.755 1.00 9.08 C ANISOU 144 CG TYR A 11 981 1484 900 131 -5 90 C ATOM 145 CD1 TYR A 11 -4.287 22.565 -10.466 1.00 11.15 C ANISOU 145 CD1 TYR A 11 1636 1438 1058 83 -197 140 C ATOM 146 CD2 TYR A 11 -4.262 20.212 -10.402 1.00 8.81 C ANISOU 146 CD2 TYR A 11 1032 1396 838 146 25 89 C ATOM 147 CE1 TYR A 11 -4.652 22.553 -11.806 1.00 12.35 C ANISOU 147 CE1 TYR A 11 1862 1664 1050 201 -181 165 C ATOM 148 CE2 TYR A 11 -4.642 20.178 -11.741 1.00 10.09 C ANISOU 148 CE2 TYR A 11 1135 1625 981 116 -49 3 C ATOM 149 CZ TYR A 11 -4.831 21.358 -12.420 1.00 10.30 C ANISOU 149 CZ TYR A 11 1194 1728 895 107 -74 128 C ATOM 150 OH TYR A 11 -5.213 21.308 -13.736 1.00 12.86 O ANISOU 150 OH TYR A 11 1758 2123 885 127 -102 95 O ATOM 151 H TYR A 11 -3.809 21.726 -5.750 1.00 11.69 H ATOM 152 HA TYR A 11 -5.389 22.623 -7.823 1.00 11.33 H ATOM 153 HB2 TYR A 11 -2.992 22.189 -8.149 1.00 11.79 H ATOM 154 HB3 TYR A 11 -3.301 20.622 -7.996 1.00 11.79 H ATOM 155 HD1 TYR A 11 -4.182 23.402 -10.028 1.00 13.38 H ATOM 156 HD2 TYR A 11 -4.131 19.400 -9.928 1.00 10.58 H ATOM 157 HE1 TYR A 11 -4.775 23.366 -12.282 1.00 14.82 H ATOM 158 HE2 TYR A 11 -4.770 19.346 -12.182 1.00 12.11 H ATOM 159 HH TYR A 11 -5.287 22.090 -14.036 1.00 19.29 H ATOM 160 N SER A 12 -7.097 20.880 -8.032 1.00 10.50 N ANISOU 160 N SER A 12 1049 1728 1116 140 -206 -68 N ATOM 161 CA SER A 12 -8.190 19.957 -7.754 1.00 12.20 C ANISOU 161 CA SER A 12 1107 2182 1233 -133 -6 -209 C ATOM 162 C SER A 12 -8.467 18.998 -8.880 1.00 10.45 C ANISOU 162 C SER A 12 1002 1801 1069 -59 -107 -9 C ATOM 163 O SER A 12 -9.393 18.181 -8.677 1.00 13.51 O ANISOU 163 O SER A 12 1244 2470 1291 -451 -25 -38 O ATOM 164 CB SER A 12 -9.482 20.755 -7.548 1.00 17.53 C ANISOU 164 CB SER A 12 1297 3132 2066 192 186 -839 C ATOM 165 OG SER A 12 -9.908 21.297 -8.817 1.00 27.33 O ANISOU 165 OG SER A 12 2029 4989 3111 1334 -392 74 O ATOM 166 H SER A 12 -7.214 21.568 -8.568 1.00 12.60 H ATOM 167 HA SER A 12 -7.983 19.440 -6.923 1.00 14.64 H ATOM 168 HB2 SER A 12 -10.187 20.165 -7.179 1.00 21.03 H ATOM 169 HB3 SER A 12 -9.324 21.490 -6.904 1.00 21.03 H ATOM 170 HG SER A 12 -9.316 21.812 -9.115 1.00 41.00 H ATOM 171 N LYS A 13 -7.742 19.001 -10.001 1.00 9.99 N ANISOU 171 N LYS A 13 1003 1622 1076 54 -170 87 N ATOM 172 CA ALYS A 13 -8.013 18.062 -11.090 0.53 9.68 C ANISOU 172 CA ALYS A 13 870 1687 1032 -120 81 63 C ATOM 173 CA BLYS A 13 -8.066 18.043 -11.069 0.47 10.67 C ANISOU 173 CA BLYS A 13 1184 1800 971 188 -365 49 C ATOM 174 C LYS A 13 -7.029 16.925 -11.047 1.00 9.43 C ANISOU 174 C LYS A 13 924 1714 859 -38 -150 5 C ATOM 175 O LYS A 13 -5.812 17.172 -11.112 1.00 10.61 O ANISOU 175 O LYS A 13 947 1724 1261 -85 -130 157 O ATOM 176 CB ALYS A 13 -7.893 18.825 -12.432 0.53 12.98 C ANISOU 176 CB ALYS A 13 1272 2387 1150 107 -302 500 C ATOM 177 CB BLYS A 13 -8.054 18.679 -12.452 0.47 10.01 C ANISOU 177 CB BLYS A 13 1114 1500 1095 -52 -79 20 C ATOM 178 CG ALYS A 13 -8.939 19.933 -12.432 0.53 14.70 C ANISOU 178 CG ALYS A 13 2327 1807 1313 317 -692 -256 C ATOM 179 CG BLYS A 13 -9.138 19.730 -12.659 0.47 14.52 C ANISOU 179 CG BLYS A 13 2298 1373 1710 410 -345 346 C ATOM 180 CD ALYS A 13 -9.197 20.498 -13.808 0.53 19.56 C ANISOU 180 CD ALYS A 13 2796 2426 2026 655 -970 499 C ATOM 181 CD BLYS A 13 -9.242 20.034 -14.145 0.47 19.31 C ANISOU 181 CD BLYS A 13 3526 1881 1748 50 -1360 68 C ATOM 182 CE ALYS A 13 -10.262 21.594 -13.654 0.53 21.16 C ANISOU 182 CE ALYS A 13 2988 2896 1956 936 470 1141 C ATOM 183 CE BLYS A 13 -8.856 21.471 -14.425 0.47 15.55 C ANISOU 183 CE BLYS A 13 1902 2603 1258 -271 -146 628 C ATOM 184 NZ ALYS A 13 -9.863 22.542 -12.576 0.10 21.26 N ANISOU 184 NZ ALYS A 13 3083 3878 917 1435 1236 840 N ATOM 185 NZ BLYS A 13 -9.069 21.846 -15.853 0.47 15.14 N ANISOU 185 NZ BLYS A 13 1767 3018 827 274 304 73 N ATOM 186 N PRO A 14 -7.488 15.673 -10.972 1.00 9.20 N ANISOU 186 N PRO A 14 800 1703 906 -63 -131 -31 N ATOM 187 CA PRO A 14 -6.562 14.551 -11.023 1.00 9.36 C ANISOU 187 CA PRO A 14 977 1674 816 -110 -43 -14 C ATOM 188 C PRO A 14 -5.653 14.629 -12.231 1.00 9.23 C ANISOU 188 C PRO A 14 965 1573 884 -72 -48 18 C ATOM 189 O PRO A 14 -6.050 15.009 -13.315 1.00 10.22 O ANISOU 189 O PRO A 14 984 1979 825 14 -82 66 O ATOM 190 CB PRO A 14 -7.470 13.324 -11.065 1.00 11.14 C ANISOU 190 CB PRO A 14 1230 1682 1218 -247 69 -41 C ATOM 191 CG PRO A 14 -8.726 13.787 -10.334 1.00 11.11 C ANISOU 191 CG PRO A 14 1119 1968 1030 -308 59 45 C ATOM 192 CD PRO A 14 -8.866 15.228 -10.777 1.00 10.19 C ANISOU 192 CD PRO A 14 966 1954 855 -157 -123 30 C ATOM 193 HA PRO A 14 -6.011 14.532 -10.188 1.00 11.23 H ATOM 194 HB2 PRO A 14 -7.676 13.066 -11.999 1.00 13.37 H ATOM 195 HB3 PRO A 14 -7.052 12.555 -10.602 1.00 13.37 H ATOM 196 HG2 PRO A 14 -9.515 13.252 -10.604 1.00 13.33 H ATOM 197 HG3 PRO A 14 -8.612 13.724 -9.353 1.00 13.33 H ATOM 198 HD2 PRO A 14 -9.380 15.291 -11.621 1.00 12.23 H ATOM 199 HD3 PRO A 14 -9.318 15.770 -10.083 1.00 12.23 H ATOM 200 N PHE A 15 -4.427 14.140 -12.026 1.00 9.34 N ANISOU 200 N PHE A 15 925 1651 884 -43 -41 58 N ATOM 201 CA PHE A 15 -3.438 14.084 -13.101 1.00 9.08 C ANISOU 201 CA PHE A 15 949 1618 796 -38 -24 54 C ATOM 202 C PHE A 15 -2.534 12.886 -12.870 1.00 9.61 C ANISOU 202 C PHE A 15 1024 1681 854 -68 -41 -32 C ATOM 203 O PHE A 15 -2.513 12.280 -11.779 1.00 10.20 O ANISOU 203 O PHE A 15 1233 1567 980 24 -26 135 O ATOM 204 CB PHE A 15 -2.672 15.377 -13.228 1.00 8.79 C ANISOU 204 CB PHE A 15 929 1578 752 32 -87 9 C ATOM 205 CG PHE A 15 -1.813 15.689 -12.038 1.00 8.43 C ANISOU 205 CG PHE A 15 889 1507 727 -68 -85 139 C ATOM 206 CD1 PHE A 15 -2.337 16.415 -10.960 1.00 9.67 C ANISOU 206 CD1 PHE A 15 988 1855 740 -192 46 33 C ATOM 207 CD2 PHE A 15 -0.461 15.308 -12.008 1.00 9.68 C ANISOU 207 CD2 PHE A 15 1032 1566 990 42 -169 106 C ATOM 208 CE1 PHE A 15 -1.545 16.731 -9.889 1.00 12.32 C ANISOU 208 CE1 PHE A 15 1142 2471 951 -242 -17 -338 C ATOM 209 CE2 PHE A 15 0.317 15.640 -10.922 1.00 11.06 C ANISOU 209 CE2 PHE A 15 966 1917 1214 -63 -281 49 C ATOM 210 CZ PHE A 15 -0.232 16.347 -9.871 1.00 13.48 C ANISOU 210 CZ PHE A 15 1199 2866 931 -131 -240 -84 C ATOM 211 H PHE A 15 -4.211 13.844 -11.226 1.00 11.20 H ATOM 212 HA PHE A 15 -3.928 13.935 -13.960 1.00 10.89 H ATOM 213 HB2 PHE A 15 -2.098 15.330 -14.033 1.00 10.55 H ATOM 214 HB3 PHE A 15 -3.315 16.117 -13.360 1.00 10.55 H ATOM 215 HD1 PHE A 15 -3.247 16.688 -10.972 1.00 11.60 H ATOM 216 HD2 PHE A 15 -0.086 14.824 -12.734 1.00 11.62 H ATOM 217 HE1 PHE A 15 -1.908 17.219 -9.159 1.00 14.78 H ATOM 218 HE2 PHE A 15 1.232 15.384 -10.897 1.00 13.27 H ATOM 219 HZ PHE A 15 0.310 16.569 -9.123 1.00 16.18 H ATOM 220 N HIS A 16 -1.789 12.529 -13.885 1.00 9.75 N ANISOU 220 N HIS A 16 1000 1626 989 54 -25 11 N ATOM 221 CA HIS A 16 -0.969 11.319 -13.871 1.00 10.31 C ANISOU 221 CA HIS A 16 1141 1590 1089 -39 -121 -99 C ATOM 222 C HIS A 16 0.368 11.531 -13.160 1.00 9.16 C ANISOU 222 C HIS A 16 1030 1529 836 84 46 4 C ATOM 223 O HIS A 16 1.013 12.555 -13.342 1.00 8.81 O ANISOU 223 O HIS A 16 985 1407 873 -5 -9 -48 O ATOM 224 CB HIS A 16 -0.748 10.908 -15.338 1.00 10.40 C ANISOU 224 CB HIS A 16 1121 1652 1082 33 -107 -145 C ATOM 225 CG HIS A 16 -0.273 9.509 -15.502 1.00 11.96 C ANISOU 225 CG HIS A 16 1155 1766 1510 -50 -207 -305 C ATOM 226 ND1 HIS A 16 0.955 9.071 -15.156 1.00 12.23 N ANISOU 226 ND1 HIS A 16 1467 1630 1435 80 -132 -274 N ATOM 227 CD2 HIS A 16 -0.866 8.406 -16.008 1.00 17.11 C ANISOU 227 CD2 HIS A 16 1631 1911 2799 -151 -241 -875 C ATOM 228 CE1 HIS A 16 1.162 7.810 -15.355 1.00 13.53 C ANISOU 228 CE1 HIS A 16 1704 1408 1901 -57 -9 -242 C ATOM 229 NE2 HIS A 16 0.051 7.372 -15.923 1.00 17.39 N ANISOU 229 NE2 HIS A 16 1867 1883 2695 -113 -465 -721 N ATOM 230 H HIS A 16 -1.782 13.037 -14.604 1.00 11.70 H ATOM 231 HA HIS A 16 -1.472 10.592 -13.404 1.00 12.37 H ATOM 232 HB2 HIS A 16 -1.599 11.016 -15.832 1.00 12.48 H ATOM 233 HB3 HIS A 16 -0.084 11.520 -15.745 1.00 12.48 H ATOM 234 HD1 HIS A 16 1.570 9.604 -14.820 1.00 14.68 H ATOM 235 HD2 HIS A 16 -1.748 8.350 -16.357 1.00 20.53 H ATOM 236 HE1 HIS A 16 1.940 7.309 -15.141 1.00 16.23 H ATOM 237 N PRO A 17 0.785 10.538 -12.356 1.00 9.85 N ANISOU 237 N PRO A 17 1106 1687 855 -20 0 91 N ATOM 238 CA PRO A 17 2.040 10.688 -11.610 1.00 10.09 C ANISOU 238 CA PRO A 17 1192 1678 869 88 -46 167 C ATOM 239 C PRO A 17 3.263 10.821 -12.470 1.00 8.49 C ANISOU 239 C PRO A 17 1025 1345 776 101 -146 -34 C ATOM 240 O PRO A 17 4.308 11.243 -11.945 1.00 9.13 O ANISOU 240 O PRO A 17 1117 1437 831 169 -121 17 O ATOM 241 CB PRO A 17 2.089 9.380 -10.769 1.00 11.86 C ANISOU 241 CB PRO A 17 1436 1892 1067 66 42 372 C ATOM 242 CG PRO A 17 1.227 8.373 -11.506 1.00 13.58 C ANISOU 242 CG PRO A 17 1707 1839 1485 -25 -107 359 C ATOM 243 CD PRO A 17 0.117 9.265 -12.075 1.00 11.79 C ANISOU 243 CD PRO A 17 1349 1775 1245 -97 77 335 C ATOM 244 HA PRO A 17 1.973 11.477 -10.999 1.00 12.11 H ATOM 245 HB2 PRO A 17 3.020 9.051 -10.694 1.00 14.23 H ATOM 246 HB3 PRO A 17 1.735 9.540 -9.858 1.00 14.23 H ATOM 247 HG2 PRO A 17 1.733 7.923 -12.227 1.00 16.29 H ATOM 248 HG3 PRO A 17 0.861 7.691 -10.888 1.00 16.29 H ATOM 249 HD2 PRO A 17 -0.260 8.874 -12.902 1.00 14.15 H ATOM 250 HD3 PRO A 17 -0.611 9.387 -11.415 1.00 14.15 H ATOM 251 N LYS A 18 3.284 10.559 -13.723 1.00 8.92 N ANISOU 251 N LYS A 18 1092 1328 885 81 -40 -45 N ATOM 252 CA LYS A 18 4.391 10.734 -14.613 1.00 9.22 C ANISOU 252 CA LYS A 18 1144 1372 901 6 56 -140 C ATOM 253 C LYS A 18 4.823 12.156 -14.627 1.00 8.59 C ANISOU 253 C LYS A 18 1037 1333 814 102 11 -112 C ATOM 254 O LYS A 18 5.994 12.443 -14.947 1.00 10.44 O ANISOU 254 O LYS A 18 996 1506 1368 89 155 -197 O ATOM 255 CB LYS A 18 4.096 10.262 -16.072 1.00 9.98 C ANISOU 255 CB LYS A 18 1297 1416 984 27 34 -223 C ATOM 256 CG LYS A 18 3.112 11.137 -16.829 1.00 11.41 C ANISOU 256 CG LYS A 18 1628 1566 1034 105 -250 -164 C ATOM 257 CD ALYS A 18 3.066 10.585 -18.307 0.63 12.60 C ANISOU 257 CD ALYS A 18 1744 1881 1046 -43 -3 -148 C ATOM 258 CD BLYS A 18 2.496 10.512 -18.042 0.37 11.62 C ANISOU 258 CD BLYS A 18 1129 2085 1091 10 -34 -403 C ATOM 259 CE ALYS A 18 2.225 9.313 -18.364 0.63 16.06 C ANISOU 259 CE ALYS A 18 2586 1794 1571 -135 -455 -497 C ATOM 260 CE BLYS A 18 3.489 10.349 -19.158 0.37 14.51 C ANISOU 260 CE BLYS A 18 1752 2432 1193 -159 339 -473 C ATOM 261 NZ ALYS A 18 1.875 8.977 -19.799 0.63 14.45 N ANISOU 261 NZ ALYS A 18 1904 2020 1432 506 -384 -544 N ATOM 262 NZ BLYS A 18 2.803 9.612 -20.274 0.37 20.16 N ANISOU 262 NZ BLYS A 18 1740 4414 1315 747 -226 -1235 N ATOM 263 H LYS A 18 2.542 10.239 -14.073 1.00 10.70 H ATOM 264 HA LYS A 18 5.152 10.187 -14.264 1.00 11.06 H ATOM 265 HB2 LYS A 18 4.948 10.237 -16.575 1.00 11.97 H ATOM 266 HB3 LYS A 18 3.739 9.339 -16.040 1.00 11.97 H ATOM 267 N PHE A 19 3.926 13.110 -14.319 1.00 8.01 N ANISOU 267 N PHE A 19 932 1326 709 61 -7 -116 N ATOM 268 CA PHE A 19 4.251 14.505 -14.359 1.00 8.09 C ANISOU 268 CA PHE A 19 965 1290 745 36 10 9 C ATOM 269 C PHE A 19 4.888 15.029 -13.079 1.00 7.88 C ANISOU 269 C PHE A 19 890 1232 797 55 2 -54 C ATOM 270 O PHE A 19 5.228 16.200 -13.031 1.00 9.44 O ANISOU 270 O PHE A 19 1291 1346 862 -39 -63 -85 O ATOM 271 CB PHE A 19 3.001 15.360 -14.713 1.00 8.60 C ANISOU 271 CB PHE A 19 1116 1356 714 132 -53 -39 C ATOM 272 CG PHE A 19 2.478 14.959 -16.091 1.00 8.98 C ANISOU 272 CG PHE A 19 1286 1260 784 187 -152 -10 C ATOM 273 CD1 PHE A 19 3.280 15.088 -17.194 1.00 10.74 C ANISOU 273 CD1 PHE A 19 1635 1651 693 266 -35 124 C ATOM 274 CD2 PHE A 19 1.233 14.431 -16.238 1.00 10.12 C ANISOU 274 CD2 PHE A 19 1351 1396 1004 208 -289 -98 C ATOM 275 CE1 PHE A 19 2.807 14.686 -18.485 1.00 12.06 C ANISOU 275 CE1 PHE A 19 2046 1638 783 310 -46 -19 C ATOM 276 CE2 PHE A 19 0.731 14.064 -17.502 1.00 11.55 C ANISOU 276 CE2 PHE A 19 1627 1498 1156 133 -527 -1 C ATOM 277 CZ PHE A 19 1.560 14.170 -18.579 1.00 13.20 C ANISOU 277 CZ PHE A 19 2203 1598 1090 221 -337 -49 C ATOM 278 H PHE A 19 3.112 12.869 -14.085 1.00 9.61 H ATOM 279 HA PHE A 19 4.915 14.633 -15.095 1.00 9.71 H ATOM 280 HB2 PHE A 19 2.296 15.218 -14.033 1.00 10.32 H ATOM 281 HB3 PHE A 19 3.242 16.320 -14.713 1.00 10.32 H ATOM 282 HD1 PHE A 19 4.155 15.447 -17.103 1.00 12.88 H ATOM 283 HD2 PHE A 19 0.689 14.307 -15.470 1.00 12.15 H ATOM 284 HE1 PHE A 19 3.355 14.779 -19.255 1.00 14.47 H ATOM 285 HE2 PHE A 19 -0.161 13.751 -17.602 1.00 13.86 H ATOM 286 HZ PHE A 19 1.251 13.871 -19.426 1.00 15.84 H ATOM 287 N ILE A 20 5.039 14.203 -12.048 1.00 8.06 N ANISOU 287 N ILE A 20 897 1264 824 69 -146 -88 N ATOM 288 CA ILE A 20 5.690 14.596 -10.810 1.00 8.11 C ANISOU 288 CA ILE A 20 878 1279 847 82 -160 -103 C ATOM 289 C ILE A 20 7.167 14.180 -10.884 1.00 7.64 C ANISOU 289 C ILE A 20 861 1192 779 103 -108 -82 C ATOM 290 O ILE A 20 7.437 13.015 -11.190 1.00 8.89 O ANISOU 290 O ILE A 20 925 1246 1122 104 -92 -178 O ATOM 291 CB ILE A 20 5.028 13.939 -9.595 1.00 8.46 C ANISOU 291 CB ILE A 20 873 1424 837 132 -67 -87 C ATOM 292 CG1 ILE A 20 3.548 14.313 -9.519 1.00 9.97 C ANISOU 292 CG1 ILE A 20 936 1854 903 173 -96 -210 C ATOM 293 CG2 ILE A 20 5.795 14.290 -8.321 1.00 8.42 C ANISOU 293 CG2 ILE A 20 883 1424 814 85 -106 -160 C ATOM 294 CD1 ILE A 20 2.748 13.549 -8.504 1.00 11.52 C ANISOU 294 CD1 ILE A 20 958 2131 1181 -9 -43 -128 C ATOM 295 H ILE A 20 4.732 13.381 -12.118 1.00 9.67 H ATOM 296 HA ILE A 20 5.635 15.590 -10.714 1.00 9.73 H ATOM 297 HB ILE A 20 5.084 12.948 -9.718 1.00 10.15 H ATOM 298 HG12 ILE A 20 3.479 15.279 -9.311 1.00 11.96 H ATOM 299 HG13 ILE A 20 3.142 14.171 -10.410 1.00 11.96 H ATOM 300 HG21 ILE A 20 6.735 14.030 -8.424 1.00 12.64 H ATOM 301 HG22 ILE A 20 5.739 15.255 -8.162 1.00 12.64 H ATOM 302 HG23 ILE A 20 5.404 13.810 -7.562 1.00 12.64 H ATOM 303 HD11 ILE A 20 1.817 13.853 -8.525 1.00 17.29 H ATOM 304 HD12 ILE A 20 2.784 12.592 -8.713 1.00 17.29 H ATOM 305 HD13 ILE A 20 3.122 13.702 -7.611 1.00 17.29 H ATOM 306 N LYS A 21 8.072 15.071 -10.519 1.00 7.39 N ANISOU 306 N LYS A 21 878 1161 700 145 -40 -40 N ATOM 307 CA LYS A 21 9.491 14.681 -10.405 1.00 7.47 C ANISOU 307 CA LYS A 21 822 1284 662 163 13 28 C ATOM 308 C LYS A 21 10.040 14.901 -8.997 1.00 7.20 C ANISOU 308 C LYS A 21 743 1197 728 111 -9 33 C ATOM 309 O LYS A 21 11.132 14.389 -8.698 1.00 7.57 O ANISOU 309 O LYS A 21 793 1218 795 124 39 105 O ATOM 310 CB LYS A 21 10.366 15.369 -11.446 1.00 8.33 C ANISOU 310 CB LYS A 21 983 1435 668 102 -37 38 C ATOM 311 CG LYS A 21 10.538 16.840 -11.292 1.00 8.67 C ANISOU 311 CG LYS A 21 912 1444 858 55 17 93 C ATOM 312 CD LYS A 21 11.432 17.414 -12.402 1.00 10.62 C ANISOU 312 CD LYS A 21 1078 1650 1206 92 204 292 C ATOM 313 CE LYS A 21 11.631 18.876 -12.373 1.00 11.17 C ANISOU 313 CE LYS A 21 1127 1558 1454 -80 169 187 C ATOM 314 NZ LYS A 21 12.364 19.367 -13.612 1.00 12.96 N ANISOU 314 NZ LYS A 21 1465 1911 1427 -58 163 383 N ATOM 315 H LYS A 21 7.829 15.898 -10.344 1.00 8.87 H ATOM 316 HA LYS A 21 9.538 13.699 -10.587 1.00 8.96 H ATOM 317 HB2 LYS A 21 11.262 14.949 -11.423 1.00 10.00 H ATOM 318 HB3 LYS A 21 9.980 15.194 -12.340 1.00 10.00 H ATOM 319 HG2 LYS A 21 9.651 17.280 -11.324 1.00 10.41 H ATOM 320 HG3 LYS A 21 10.943 17.034 -10.410 1.00 10.41 H ATOM 321 HD2 LYS A 21 12.319 16.977 -12.345 1.00 12.74 H ATOM 322 HD3 LYS A 21 11.038 17.170 -13.277 1.00 12.74 H ATOM 323 HE2 LYS A 21 10.751 19.324 -12.314 1.00 13.40 H ATOM 324 HE3 LYS A 21 12.152 19.119 -11.567 1.00 13.40 H ATOM 325 HZ1 LYS A 21 12.470 20.270 -13.564 1.00 19.44 H ATOM 326 HZ2 LYS A 21 13.180 18.968 -13.661 1.00 19.44 H ATOM 327 HZ3 LYS A 21 11.880 19.159 -14.354 1.00 19.44 H ATOM 328 N GLU A 22 9.344 15.604 -8.121 1.00 7.66 N ANISOU 328 N GLU A 22 886 1358 594 244 -22 43 N ATOM 329 CA GLU A 22 9.766 15.773 -6.718 1.00 7.41 C ANISOU 329 CA GLU A 22 873 1285 587 194 -39 32 C ATOM 330 C GLU A 22 8.541 15.994 -5.899 1.00 7.60 C ANISOU 330 C GLU A 22 824 1316 674 196 -103 -40 C ATOM 331 O GLU A 22 7.561 16.607 -6.355 1.00 9.22 O ANISOU 331 O GLU A 22 977 1645 794 418 -74 21 O ATOM 332 CB GLU A 22 10.722 16.952 -6.598 1.00 9.38 C ANISOU 332 CB GLU A 22 1018 1496 961 41 -188 233 C ATOM 333 CG GLU A 22 11.242 17.267 -5.271 1.00 9.99 C ANISOU 333 CG GLU A 22 1199 1468 1036 35 -60 -74 C ATOM 334 CD GLU A 22 12.294 18.347 -5.216 1.00 13.22 C ANISOU 334 CD GLU A 22 1314 1936 1649 -279 163 -436 C ATOM 335 OE1 GLU A 22 13.016 18.521 -6.183 1.00 18.28 O ANISOU 335 OE1 GLU A 22 2173 2274 2326 -718 688 -282 O ATOM 336 OE2 GLU A 22 12.490 18.943 -4.147 1.00 22.17 O ANISOU 336 OE2 GLU A 22 2612 3245 2360 -1511 680 -1202 O ATOM 337 H GLU A 22 8.598 15.988 -8.386 1.00 9.19 H ATOM 338 HA GLU A 22 10.225 14.941 -6.408 1.00 8.89 H ATOM 339 HB2 GLU A 22 11.493 16.780 -7.194 1.00 11.25 H ATOM 340 HB3 GLU A 22 10.259 17.756 -6.942 1.00 11.25 H ATOM 341 HG2 GLU A 22 10.484 17.541 -4.697 1.00 11.99 H ATOM 342 HG3 GLU A 22 11.624 16.440 -4.882 1.00 11.99 H ATOM 343 N LEU A 23 8.564 15.495 -4.673 1.00 7.75 N ANISOU 343 N LEU A 23 820 1467 587 253 -15 -75 N ATOM 344 CA LEU A 23 7.493 15.534 -3.710 1.00 9.13 C ANISOU 344 CA LEU A 23 893 1761 729 201 8 -179 C ATOM 345 C LEU A 23 8.008 16.074 -2.385 1.00 7.89 C ANISOU 345 C LEU A 23 835 1474 616 320 -9 -1 C ATOM 346 O LEU A 23 9.038 15.589 -1.933 1.00 8.87 O ANISOU 346 O LEU A 23 1023 1521 743 491 -60 -49 O ATOM 347 CB LEU A 23 7.011 14.057 -3.437 1.00 10.29 C ANISOU 347 CB LEU A 23 1450 1461 903 200 173 -61 C ATOM 348 CG LEU A 23 6.069 13.779 -2.276 1.00 9.36 C ANISOU 348 CG LEU A 23 1199 1346 924 109 64 -67 C ATOM 349 CD1 LEU A 23 4.699 14.355 -2.629 1.00 11.33 C ANISOU 349 CD1 LEU A 23 1226 1730 1242 111 -48 84 C ATOM 350 CD2 LEU A 23 5.982 12.324 -1.953 1.00 12.48 C ANISOU 350 CD2 LEU A 23 1616 1439 1571 199 400 158 C ATOM 351 H LEU A 23 9.309 15.100 -4.421 1.00 9.31 H ATOM 352 HA LEU A 23 6.736 16.094 -4.047 1.00 10.96 H ATOM 353 HB2 LEU A 23 6.570 13.732 -4.261 1.00 12.35 H ATOM 354 HB3 LEU A 23 7.820 13.502 -3.303 1.00 12.35 H ATOM 355 HG LEU A 23 6.414 14.259 -1.469 1.00 11.23 H ATOM 356 HD11 LEU A 23 4.789 15.308 -2.836 1.00 16.99 H ATOM 357 HD12 LEU A 23 4.339 13.884 -3.410 1.00 16.99 H ATOM 358 HD13 LEU A 23 4.091 14.241 -1.869 1.00 16.99 H ATOM 359 HD21 LEU A 23 5.367 12.192 -1.201 1.00 18.73 H ATOM 360 HD22 LEU A 23 5.652 11.835 -2.735 1.00 18.73 H ATOM 361 HD23 LEU A 23 6.871 11.989 -1.710 1.00 18.73 H ATOM 362 N ARG A 24 7.270 16.969 -1.747 1.00 7.22 N ANISOU 362 N ARG A 24 833 1290 553 274 2 11 N ATOM 363 CA ARG A 24 7.533 17.342 -0.352 1.00 7.75 C ANISOU 363 CA ARG A 24 942 1248 681 220 -3 -21 C ATOM 364 C ARG A 24 6.245 17.185 0.411 1.00 7.57 C ANISOU 364 C ARG A 24 890 1340 578 292 12 -65 C ATOM 365 O ARG A 24 5.182 17.650 -0.025 1.00 10.57 O ANISOU 365 O ARG A 24 1063 2138 716 757 148 290 O ATOM 366 CB ARG A 24 8.034 18.806 -0.294 1.00 11.60 C ANISOU 366 CB ARG A 24 1583 1532 1184 -117 52 -109 C ATOM 367 CG AARG A 24 8.544 19.282 1.051 0.63 10.92 C ANISOU 367 CG AARG A 24 1544 1330 1173 -75 246 -201 C ATOM 368 CG BARG A 24 9.472 19.100 -0.083 0.37 16.86 C ANISOU 368 CG BARG A 24 1373 1375 3499 -77 606 -103 C ATOM 369 CD AARG A 24 8.959 20.767 0.888 0.63 16.27 C ANISOU 369 CD AARG A 24 1881 1441 2705 -465 191 -189 C ATOM 370 CD BARG A 24 9.623 20.630 0.163 0.37 12.80 C ANISOU 370 CD BARG A 24 1466 1332 1944 111 643 -219 C ATOM 371 NE AARG A 24 9.261 21.374 2.158 0.63 35.85 N ANISOU 371 NE AARG A 24 6614 3184 3488 -2798 708 -1327 N ATOM 372 NE BARG A 24 9.020 21.368 -0.947 0.37 21.87 N ANISOU 372 NE BARG A 24 2592 1900 3612 121 -772 317 N ATOM 373 CZ AARG A 24 9.674 22.591 2.426 0.63 29.17 C ANISOU 373 CZ AARG A 24 4912 2554 3344 -1802 1165 -1116 C ATOM 374 CZ BARG A 24 8.550 22.606 -0.859 0.37 18.91 C ANISOU 374 CZ BARG A 24 1434 2337 3238 484 -435 20 C ATOM 375 NH1AARG A 24 9.865 23.484 1.462 0.63 31.87 N ANISOU 375 NH1AARG A 24 4461 3311 4036 -1337 1463 -351 N ATOM 376 NH1BARG A 24 8.593 23.256 0.297 0.37 22.96 N ANISOU 376 NH1BARG A 24 1645 3398 3466 -406 856 -502 N ATOM 377 NH2AARG A 24 9.905 22.958 3.693 0.63 26.05 N ANISOU 377 NH2AARG A 24 3885 1663 4106 -108 -1950 -679 N ATOM 378 NH2BARG A 24 8.023 23.198 -1.923 0.37 22.49 N ANISOU 378 NH2BARG A 24 1968 3223 3144 1192 1259 1337 N ATOM 379 HA ARG A 24 8.228 16.734 0.033 1.00 9.30 H ATOM 380 N VAL A 25 6.305 16.510 1.559 1.00 7.24 N ANISOU 380 N VAL A 25 827 1279 576 375 -13 -19 N ATOM 381 CA VAL A 25 5.163 16.341 2.453 1.00 7.17 C ANISOU 381 CA VAL A 25 825 1217 616 315 -17 -71 C ATOM 382 C VAL A 25 5.584 16.928 3.804 1.00 7.10 C ANISOU 382 C VAL A 25 921 1125 585 305 10 -69 C ATOM 383 O VAL A 25 6.529 16.458 4.418 1.00 7.89 O ANISOU 383 O VAL A 25 1053 1262 608 412 -58 -104 O ATOM 384 CB VAL A 25 4.764 14.906 2.588 1.00 8.56 C ANISOU 384 CB VAL A 25 1021 1358 792 100 72 -136 C ATOM 385 CG1 VAL A 25 3.553 14.749 3.530 1.00 10.56 C ANISOU 385 CG1 VAL A 25 1333 1673 907 -44 345 -190 C ATOM 386 CG2 VAL A 25 4.419 14.295 1.213 1.00 10.90 C ANISOU 386 CG2 VAL A 25 1575 1565 899 -145 249 -383 C ATOM 387 H VAL A 25 7.074 16.149 1.791 1.00 8.68 H ATOM 388 HA VAL A 25 4.389 16.863 2.097 1.00 8.61 H ATOM 389 HB VAL A 25 5.533 14.399 2.975 1.00 10.27 H ATOM 390 HG11 VAL A 25 3.314 13.801 3.599 1.00 15.84 H ATOM 391 HG12 VAL A 25 3.783 15.093 4.418 1.00 15.84 H ATOM 392 HG13 VAL A 25 2.792 15.252 3.171 1.00 15.84 H ATOM 393 HG21 VAL A 25 4.161 13.357 1.328 1.00 16.35 H ATOM 394 HG22 VAL A 25 3.676 14.792 0.812 1.00 16.35 H ATOM 395 HG23 VAL A 25 5.202 14.349 0.626 1.00 16.35 H ATOM 396 N ILE A 26 4.848 17.966 4.225 1.00 7.77 N ANISOU 396 N ILE A 26 998 1277 605 348 -59 -101 N ATOM 397 CA ILE A 26 5.155 18.694 5.445 1.00 7.44 C ANISOU 397 CA ILE A 26 965 1072 720 300 -41 -81 C ATOM 398 C ILE A 26 4.019 18.453 6.417 1.00 6.91 C ANISOU 398 C ILE A 26 943 1027 593 247 -57 -137 C ATOM 399 O ILE A 26 2.909 18.955 6.205 1.00 7.19 O ANISOU 399 O ILE A 26 930 1083 653 269 -2 -65 O ATOM 400 CB ILE A 26 5.343 20.200 5.186 1.00 7.80 C ANISOU 400 CB ILE A 26 981 1081 827 273 124 10 C ATOM 401 CG1 ILE A 26 6.219 20.473 3.982 1.00 9.59 C ANISOU 401 CG1 ILE A 26 1267 1375 910 214 187 117 C ATOM 402 CG2 ILE A 26 5.853 20.859 6.472 1.00 8.60 C ANISOU 402 CG2 ILE A 26 1113 1079 995 212 3 -69 C ATOM 403 CD1 ILE A 26 6.273 21.915 3.583 1.00 13.74 C ANISOU 403 CD1 ILE A 26 1922 1548 1621 290 439 397 C ATOM 404 H ILE A 26 4.154 18.215 3.746 1.00 9.33 H ATOM 405 HA ILE A 26 5.998 18.327 5.837 1.00 8.93 H ATOM 406 HB ILE A 26 4.440 20.584 4.992 1.00 9.36 H ATOM 407 HG12 ILE A 26 7.138 20.163 4.181 1.00 11.50 H ATOM 408 HG13 ILE A 26 5.882 19.943 3.217 1.00 11.50 H ATOM 409 HG21 ILE A 26 5.246 20.646 7.211 1.00 12.90 H ATOM 410 HG22 ILE A 26 6.750 20.522 6.678 1.00 12.90 H ATOM 411 HG23 ILE A 26 5.890 21.831 6.349 1.00 12.90 H ATOM 412 HD11 ILE A 26 6.855 22.016 2.802 1.00 20.61 H ATOM 413 HD12 ILE A 26 5.370 22.226 3.361 1.00 20.61 H ATOM 414 HD13 ILE A 26 6.628 22.446 4.326 1.00 20.61 H ATOM 415 N GLU A 27 4.222 17.643 7.449 1.00 6.91 N ANISOU 415 N GLU A 27 943 1008 609 216 -14 -141 N ATOM 416 CA GLU A 27 3.158 17.379 8.389 1.00 7.41 C ANISOU 416 CA GLU A 27 992 1024 730 138 99 -104 C ATOM 417 C GLU A 27 2.737 18.683 9.072 1.00 7.05 C ANISOU 417 C GLU A 27 1038 931 643 128 24 -52 C ATOM 418 O GLU A 27 3.560 19.560 9.344 1.00 7.66 O ANISOU 418 O GLU A 27 1019 1069 753 222 0 -154 O ATOM 419 CB GLU A 27 3.600 16.355 9.417 1.00 8.00 C ANISOU 419 CB GLU A 27 1212 1003 749 255 68 -11 C ATOM 420 CG GLU A 27 2.496 15.831 10.304 1.00 9.62 C ANISOU 420 CG GLU A 27 1453 1166 947 189 366 -14 C ATOM 421 CD GLU A 27 2.948 14.690 11.189 1.00 11.70 C ANISOU 421 CD GLU A 27 1931 1031 1374 250 584 82 C ATOM 422 OE1 GLU A 27 4.161 14.544 11.451 1.00 13.00 O ANISOU 422 OE1 GLU A 27 2132 1428 1259 305 82 234 O ATOM 423 OE2 GLU A 27 2.013 13.934 11.581 1.00 16.96 O ANISOU 423 OE2 GLU A 27 2302 1425 2559 483 1272 628 O ATOM 424 H GLU A 27 5.009 17.265 7.560 1.00 8.29 H ATOM 425 HA GLU A 27 2.374 17.012 7.889 1.00 8.89 H ATOM 426 HB2 GLU A 27 4.013 15.590 8.943 1.00 9.60 H ATOM 427 HB3 GLU A 27 4.297 16.763 9.989 1.00 9.60 H ATOM 428 HG2 GLU A 27 2.161 16.569 10.873 1.00 11.55 H ATOM 429 HG3 GLU A 27 1.745 15.522 9.737 1.00 11.55 H ATOM 430 N SER A 28 1.458 18.773 9.413 1.00 7.70 N ANISOU 430 N SER A 28 1004 1116 735 175 24 -160 N ATOM 431 CA SER A 28 0.969 19.868 10.243 1.00 8.42 C ANISOU 431 CA SER A 28 1122 1277 721 354 21 -136 C ATOM 432 C SER A 28 1.783 19.966 11.538 1.00 7.74 C ANISOU 432 C SER A 28 1128 1061 679 266 131 -60 C ATOM 433 O SER A 28 2.364 19.007 12.031 1.00 8.38 O ANISOU 433 O SER A 28 1278 1076 753 280 7 -106 O ATOM 434 CB SER A 28 -0.484 19.665 10.564 1.00 10.20 C ANISOU 434 CB SER A 28 1164 1722 894 249 127 -187 C ATOM 435 OG SER A 28 -0.671 18.465 11.296 1.00 13.11 O ANISOU 435 OG SER A 28 1266 2137 1454 20 10 250 O ATOM 436 H SER A 28 0.893 18.159 9.133 1.00 9.24 H ATOM 437 HA SER A 28 1.069 20.724 9.736 1.00 10.10 H ATOM 438 HB2 SER A 28 -0.816 20.432 11.095 1.00 12.24 H ATOM 439 HB3 SER A 28 -1.005 19.624 9.724 1.00 12.24 H ATOM 440 HG SER A 28 -0.234 18.503 12.012 1.00 19.66 H ATOM 441 N GLY A 29 1.760 21.158 12.093 1.00 8.41 N ANISOU 441 N GLY A 29 1276 1034 806 238 -26 -99 N ATOM 442 CA GLY A 29 2.461 21.449 13.328 1.00 8.11 C ANISOU 442 CA GLY A 29 1212 1056 737 245 42 -43 C ATOM 443 C GLY A 29 2.337 22.908 13.646 1.00 8.01 C ANISOU 443 C GLY A 29 1157 1165 648 245 139 -115 C ATOM 444 O GLY A 29 1.459 23.591 13.094 1.00 8.67 O ANISOU 444 O GLY A 29 1229 1121 862 202 36 -86 O ATOM 445 H GLY A 29 1.303 21.801 11.702 1.00 10.09 H ATOM 446 HA2 GLY A 29 2.077 20.912 14.066 1.00 9.73 H ATOM 447 HA3 GLY A 29 3.417 21.208 13.234 1.00 9.73 H ATOM 448 N PRO A 30 3.162 23.427 14.542 1.00 8.65 N ANISOU 448 N PRO A 30 1345 1112 747 209 7 -154 N ATOM 449 CA PRO A 30 3.015 24.829 14.952 1.00 9.33 C ANISOU 449 CA PRO A 30 1383 1266 808 247 35 -250 C ATOM 450 C PRO A 30 3.131 25.815 13.792 1.00 8.80 C ANISOU 450 C PRO A 30 1334 1063 865 201 47 -257 C ATOM 451 O PRO A 30 2.535 26.901 13.858 1.00 10.51 O ANISOU 451 O PRO A 30 1620 1182 1094 375 120 -179 O ATOM 452 CB PRO A 30 4.151 24.992 15.980 1.00 11.12 C ANISOU 452 CB PRO A 30 1834 1445 840 104 -84 -301 C ATOM 453 CG PRO A 30 4.236 23.627 16.620 1.00 12.39 C ANISOU 453 CG PRO A 30 2192 1486 915 61 -285 -172 C ATOM 454 CD PRO A 30 4.131 22.703 15.379 1.00 10.12 C ANISOU 454 CD PRO A 30 1544 1372 834 263 -143 -55 C ATOM 455 HA PRO A 30 2.133 24.953 15.408 1.00 11.19 H ATOM 456 HB2 PRO A 30 5.003 25.231 15.535 1.00 13.34 H ATOM 457 HB3 PRO A 30 3.930 25.687 16.649 1.00 13.34 H ATOM 458 HG2 PRO A 30 5.096 23.501 17.094 1.00 14.87 H ATOM 459 HG3 PRO A 30 3.488 23.474 17.250 1.00 14.87 H ATOM 460 HD2 PRO A 30 5.005 22.611 14.922 1.00 12.14 H ATOM 461 HD3 PRO A 30 3.795 21.805 15.624 1.00 12.14 H ATOM 462 N HIS A 31 3.859 25.490 12.779 1.00 8.34 N ANISOU 462 N HIS A 31 1215 1056 819 180 2 -174 N ATOM 463 CA HIS A 31 4.073 26.298 11.580 1.00 8.81 C ANISOU 463 CA HIS A 31 1257 1083 926 144 35 -143 C ATOM 464 C HIS A 31 2.843 26.384 10.687 1.00 8.49 C ANISOU 464 C HIS A 31 1353 989 803 252 26 -103 C ATOM 465 O HIS A 31 2.714 27.359 9.934 1.00 9.86 O ANISOU 465 O HIS A 31 1450 1149 1054 222 -5 -37 O ATOM 466 CB HIS A 31 5.248 25.728 10.767 1.00 8.56 C ANISOU 466 CB HIS A 31 1209 1083 879 10 82 -132 C ATOM 467 CG HIS A 31 4.989 24.298 10.377 1.00 8.26 C ANISOU 467 CG HIS A 31 1148 1125 786 163 71 -139 C ATOM 468 ND1 HIS A 31 5.103 23.272 11.294 1.00 8.74 N ANISOU 468 ND1 HIS A 31 1388 1100 751 197 -8 -149 N ATOM 469 CD2 HIS A 31 4.505 23.785 9.219 1.00 9.04 C ANISOU 469 CD2 HIS A 31 1314 1203 832 280 -95 -196 C ATOM 470 CE1 HIS A 31 4.692 22.189 10.670 1.00 9.34 C ANISOU 470 CE1 HIS A 31 1413 1104 944 165 207 -122 C ATOM 471 NE2 HIS A 31 4.329 22.443 9.417 1.00 9.21 N ANISOU 471 NE2 HIS A 31 1177 1267 970 165 19 -304 N ATOM 472 H HIS A 31 4.264 24.710 12.813 1.00 10.01 H ATOM 473 HA HIS A 31 4.315 27.224 11.868 1.00 10.58 H ATOM 474 HB2 HIS A 31 5.380 26.273 9.951 1.00 10.27 H ATOM 475 HB3 HIS A 31 6.077 25.778 11.306 1.00 10.27 H ATOM 476 HD1 HIS A 31 5.390 23.330 12.124 1.00 10.49 H ATOM 477 HD2 HIS A 31 4.324 24.267 8.421 1.00 10.84 H ATOM 478 HE1 HIS A 31 4.659 21.327 11.068 1.00 11.21 H ATOM 479 N CYS A 32 1.971 25.393 10.679 1.00 8.43 N ANISOU 479 N CYS A 32 1273 1034 819 202 -60 -80 N ATOM 480 CA CYS A 32 0.867 25.280 9.753 1.00 8.77 C ANISOU 480 CA CYS A 32 1245 1094 909 331 -76 -97 C ATOM 481 C CYS A 32 -0.115 24.237 10.245 1.00 8.24 C ANISOU 481 C CYS A 32 1207 1045 803 274 -38 -203 C ATOM 482 O CYS A 32 0.245 23.104 10.454 1.00 9.15 O ANISOU 482 O CYS A 32 1175 1151 1064 272 -88 -66 O ATOM 483 CB CYS A 32 1.357 24.893 8.336 1.00 9.11 C ANISOU 483 CB CYS A 32 1404 1196 776 157 -48 -171 C ATOM 484 SG CYS A 32 0.056 24.952 7.100 1.00 10.53 S ANISOU 484 SG CYS A 32 1424 1518 959 193 -147 -108 S ATOM 485 H CYS A 32 2.069 24.757 11.279 1.00 10.12 H ATOM 486 HA CYS A 32 0.399 26.162 9.701 1.00 10.52 H ATOM 487 HB2 CYS A 32 2.084 25.510 8.068 1.00 10.93 H ATOM 488 HB3 CYS A 32 1.733 23.978 8.365 1.00 10.93 H ATOM 489 N ALA A 33 -1.383 24.637 10.359 1.00 9.36 N ANISOU 489 N ALA A 33 1234 1311 923 297 11 -233 N ATOM 490 CA ALA A 33 -2.391 23.751 10.848 1.00 10.20 C ANISOU 490 CA ALA A 33 1205 1497 1077 241 189 -342 C ATOM 491 C ALA A 33 -2.699 22.573 9.950 1.00 10.37 C ANISOU 491 C ALA A 33 1186 1548 1109 173 88 -341 C ATOM 492 O ALA A 33 -3.333 21.594 10.357 1.00 12.57 O ANISOU 492 O ALA A 33 1499 1741 1419 -36 248 -328 O ATOM 493 CB ALA A 33 -3.672 24.544 11.130 1.00 14.01 C ANISOU 493 CB ALA A 33 1252 1985 1956 258 188 -887 C ATOM 494 H ALA A 33 -1.601 25.458 10.129 1.00 11.23 H ATOM 495 HA ALA A 33 -2.069 23.384 11.720 1.00 12.24 H ATOM 496 HB1 ALA A 33 -4.364 23.937 11.466 1.00 21.02 H ATOM 497 HB2 ALA A 33 -3.488 25.233 11.803 1.00 21.02 H ATOM 498 HB3 ALA A 33 -3.982 24.968 10.304 1.00 21.02 H ATOM 499 N ASN A 34 -2.346 22.699 8.662 1.00 9.64 N ANISOU 499 N ASN A 34 1172 1297 1102 251 14 -348 N ATOM 500 CA ASN A 34 -2.603 21.653 7.678 1.00 10.24 C ANISOU 500 CA ASN A 34 1095 1404 1297 285 -63 -469 C ATOM 501 C ASN A 34 -1.311 20.974 7.282 1.00 8.25 C ANISOU 501 C ASN A 34 1015 1238 804 239 -5 -237 C ATOM 502 O ASN A 34 -0.282 21.638 7.147 1.00 9.47 O ANISOU 502 O ASN A 34 1132 1154 1224 108 146 -254 O ATOM 503 CB ASN A 34 -3.170 22.298 6.373 1.00 13.89 C ANISOU 503 CB ASN A 34 1606 2017 1525 706 -544 -654 C ATOM 504 CG ASN A 34 -4.444 23.019 6.631 1.00 22.70 C ANISOU 504 CG ASN A 34 2497 4043 1871 1961 -527 -466 C ATOM 505 OD1 ASN A 34 -5.277 22.538 7.397 1.00 32.77 O ANISOU 505 OD1 ASN A 34 1455 7221 3468 1551 -138 33 O ATOM 506 ND2 ASN A 34 -4.567 24.187 6.007 1.00 45.09 N ANISOU 506 ND2 ASN A 34 6446 5405 4860 4558 767 1232 N ATOM 507 H ASN A 34 -1.945 23.438 8.402 1.00 11.57 H ATOM 508 HA ASN A 34 -3.249 20.984 8.044 1.00 12.29 H ATOM 509 HB2 ASN A 34 -2.504 22.931 6.004 1.00 16.67 H ATOM 510 HB3 ASN A 34 -3.325 21.590 5.698 1.00 16.67 H ATOM 511 HD21 ASN A 34 -5.287 24.678 6.129 1.00 54.11 H ATOM 512 HD22 ASN A 34 -3.928 24.469 5.471 1.00 54.11 H ATOM 513 N THR A 35 -1.392 19.675 7.015 1.00 8.37 N ANISOU 513 N THR A 35 1039 1146 917 111 28 -184 N ATOM 514 CA THR A 35 -0.369 18.989 6.254 1.00 7.51 C ANISOU 514 CA THR A 35 945 1092 745 112 49 -107 C ATOM 515 C THR A 35 -0.376 19.567 4.858 1.00 7.57 C ANISOU 515 C THR A 35 997 999 809 137 -27 -165 C ATOM 516 O THR A 35 -1.470 19.801 4.288 1.00 8.75 O ANISOU 516 O THR A 35 945 1401 896 179 -114 -17 O ATOM 517 CB THR A 35 -0.601 17.488 6.239 1.00 7.94 C ANISOU 517 CB THR A 35 1094 1101 748 122 -25 -43 C ATOM 518 OG1 THR A 35 -0.293 17.025 7.581 1.00 8.87 O ANISOU 518 OG1 THR A 35 1204 1214 868 130 80 22 O ATOM 519 CG2 THR A 35 0.259 16.760 5.242 1.00 8.49 C ANISOU 519 CG2 THR A 35 1176 1103 866 95 23 -185 C ATOM 520 H THR A 35 -2.086 19.220 7.309 1.00 10.05 H ATOM 521 HA THR A 35 0.520 19.172 6.673 1.00 9.01 H ATOM 522 HB THR A 35 -1.564 17.305 6.040 1.00 9.53 H ATOM 523 HG1 THR A 35 -0.774 17.434 8.135 1.00 13.30 H ATOM 524 HG21 THR A 35 0.048 17.075 4.338 1.00 12.73 H ATOM 525 HG22 THR A 35 1.203 16.935 5.436 1.00 12.73 H ATOM 526 HG23 THR A 35 0.085 15.798 5.301 1.00 12.73 H ATOM 527 N GLU A 36 0.802 19.798 4.296 1.00 7.10 N ANISOU 527 N GLU A 36 927 1110 595 130 5 -87 N ATOM 528 CA GLU A 36 0.946 20.284 2.932 1.00 7.51 C ANISOU 528 CA GLU A 36 990 1087 707 191 -26 -59 C ATOM 529 C GLU A 36 1.699 19.248 2.108 1.00 7.07 C ANISOU 529 C GLU A 36 929 1071 619 186 -60 -18 C ATOM 530 O GLU A 36 2.678 18.654 2.554 1.00 8.22 O ANISOU 530 O GLU A 36 1009 1358 679 379 -176 -163 O ATOM 531 CB GLU A 36 1.653 21.633 2.906 1.00 8.23 C ANISOU 531 CB GLU A 36 1119 1115 816 156 36 -16 C ATOM 532 CG GLU A 36 0.806 22.712 3.566 1.00 9.32 C ANISOU 532 CG GLU A 36 1342 1125 986 152 23 -133 C ATOM 533 CD GLU A 36 1.346 24.111 3.413 1.00 9.36 C ANISOU 533 CD GLU A 36 1461 1094 914 184 -120 30 C ATOM 534 OE1 GLU A 36 2.584 24.304 3.523 1.00 9.94 O ANISOU 534 OE1 GLU A 36 1353 1285 1045 70 -126 67 O ATOM 535 OE2 GLU A 36 0.535 25.040 3.156 1.00 11.38 O ANISOU 535 OE2 GLU A 36 1580 1224 1412 326 -134 27 O ATOM 536 H GLU A 36 1.529 19.650 4.768 1.00 8.52 H ATOM 537 HA GLU A 36 0.034 20.398 2.539 1.00 9.01 H ATOM 538 HB2 GLU A 36 2.519 21.560 3.380 1.00 9.88 H ATOM 539 HB3 GLU A 36 1.838 21.889 1.968 1.00 9.88 H ATOM 540 HG2 GLU A 36 -0.105 22.680 3.178 1.00 11.18 H ATOM 541 HG3 GLU A 36 0.728 22.506 4.531 1.00 11.18 H ATOM 542 N ILE A 37 1.203 19.059 0.886 1.00 7.38 N ANISOU 542 N ILE A 37 902 1163 671 267 -27 -52 N ATOM 543 CA ILE A 37 1.853 18.209 -0.121 1.00 7.87 C ANISOU 543 CA ILE A 37 962 1300 655 251 -32 -146 C ATOM 544 C ILE A 37 2.154 19.113 -1.298 1.00 8.02 C ANISOU 544 C ILE A 37 897 1490 584 339 -50 -65 C ATOM 545 O ILE A 37 1.242 19.678 -1.922 1.00 9.30 O ANISOU 545 O ILE A 37 942 1698 806 291 -120 127 O ATOM 546 CB ILE A 37 0.964 17.030 -0.546 1.00 8.56 C ANISOU 546 CB ILE A 37 973 1414 786 259 -38 -252 C ATOM 547 CG1 ILE A 37 0.758 16.089 0.586 1.00 10.35 C ANISOU 547 CG1 ILE A 37 1239 1575 1019 60 54 -174 C ATOM 548 CG2 ILE A 37 1.586 16.322 -1.752 1.00 10.48 C ANISOU 548 CG2 ILE A 37 1490 1450 943 316 67 -347 C ATOM 549 CD1 ILE A 37 -0.096 14.878 0.279 1.00 14.99 C ANISOU 549 CD1 ILE A 37 2042 1957 1555 -641 491 -478 C ATOM 550 H ILE A 37 0.451 19.462 0.671 1.00 8.86 H ATOM 551 HA ILE A 37 2.712 17.857 0.251 1.00 9.45 H ATOM 552 HB ILE A 37 0.072 17.391 -0.820 1.00 10.28 H ATOM 553 HG12 ILE A 37 1.644 15.776 0.897 1.00 12.41 H ATOM 554 HG13 ILE A 37 0.338 16.585 1.333 1.00 12.41 H ATOM 555 HG21 ILE A 37 1.710 16.965 -2.481 1.00 15.72 H ATOM 556 HG22 ILE A 37 2.454 15.946 -1.498 1.00 15.72 H ATOM 557 HG23 ILE A 37 0.992 15.601 -2.050 1.00 15.72 H ATOM 558 HD11 ILE A 37 -0.174 14.321 1.081 1.00 22.48 H ATOM 559 HD12 ILE A 37 -0.988 15.170 -0.004 1.00 22.48 H ATOM 560 HD13 ILE A 37 0.321 14.359 -0.440 1.00 22.48 H ATOM 561 N ILE A 38 3.431 19.262 -1.591 1.00 8.48 N ANISOU 561 N ILE A 38 955 1529 660 445 -16 63 N ATOM 562 CA ILE A 38 3.889 20.119 -2.672 1.00 9.14 C ANISOU 562 CA ILE A 38 1134 1471 780 491 93 129 C ATOM 563 C ILE A 38 4.610 19.258 -3.677 1.00 8.76 C ANISOU 563 C ILE A 38 955 1585 708 482 40 140 C ATOM 564 O ILE A 38 5.548 18.530 -3.318 1.00 10.75 O ANISOU 564 O ILE A 38 1355 1938 691 847 -8 46 O ATOM 565 CB ILE A 38 4.818 21.232 -2.149 1.00 10.38 C ANISOU 565 CB ILE A 38 1283 1380 1184 403 75 77 C ATOM 566 CG1 ILE A 38 4.202 21.945 -0.953 1.00 13.24 C ANISOU 566 CG1 ILE A 38 1604 1758 1544 453 127 -361 C ATOM 567 CG2 ILE A 38 5.201 22.189 -3.259 1.00 14.25 C ANISOU 567 CG2 ILE A 38 1891 1762 1630 117 39 346 C ATOM 568 CD1 ILE A 38 5.054 22.940 -0.238 1.00 18.21 C ANISOU 568 CD1 ILE A 38 2796 2251 1701 167 -193 -526 C ATOM 569 H ILE A 38 4.028 18.827 -1.113 1.00 10.18 H ATOM 570 HA ILE A 38 3.095 20.538 -3.113 1.00 10.96 H ATOM 571 HB ILE A 38 5.658 20.793 -1.832 1.00 12.46 H ATOM 572 HG12 ILE A 38 3.383 22.409 -1.261 1.00 15.89 H ATOM 573 HG13 ILE A 38 3.920 21.258 -0.298 1.00 15.89 H ATOM 574 HG21 ILE A 38 5.592 21.686 -4.003 1.00 21.38 H ATOM 575 HG22 ILE A 38 4.404 22.666 -3.569 1.00 21.38 H ATOM 576 HG23 ILE A 38 5.857 22.835 -2.921 1.00 21.38 H ATOM 577 HD11 ILE A 38 4.549 23.327 0.507 1.00 27.31 H ATOM 578 HD12 ILE A 38 5.855 22.495 0.108 1.00 27.31 H ATOM 579 HD13 ILE A 38 5.317 23.651 -0.859 1.00 27.31 H ATOM 580 N VAL A 39 4.185 19.312 -4.934 1.00 9.04 N ANISOU 580 N VAL A 39 950 1691 709 490 57 144 N ATOM 581 CA VAL A 39 4.820 18.538 -6.000 1.00 9.41 C ANISOU 581 CA VAL A 39 1081 1648 757 384 135 24 C ATOM 582 C VAL A 39 5.469 19.515 -6.959 1.00 9.21 C ANISOU 582 C VAL A 39 1154 1632 628 472 64 140 C ATOM 583 O VAL A 39 4.952 20.586 -7.257 1.00 10.42 O ANISOU 583 O VAL A 39 1203 1655 1004 449 248 227 O ATOM 584 CB VAL A 39 3.914 17.518 -6.694 1.00 11.31 C ANISOU 584 CB VAL A 39 1485 1843 865 137 85 31 C ATOM 585 CG1 VAL A 39 3.431 16.443 -5.728 1.00 13.55 C ANISOU 585 CG1 VAL A 39 1910 1991 1120 -52 169 195 C ATOM 586 CG2 VAL A 39 2.745 18.218 -7.361 1.00 12.39 C ANISOU 586 CG2 VAL A 39 1462 2009 1120 218 -16 18 C ATOM 587 H VAL A 39 3.501 19.829 -5.131 1.00 10.85 H ATOM 588 HA VAL A 39 5.561 18.019 -5.575 1.00 11.29 H ATOM 589 HB VAL A 39 4.450 17.069 -7.408 1.00 13.58 H ATOM 590 HG11 VAL A 39 4.203 16.007 -5.312 1.00 20.32 H ATOM 591 HG12 VAL A 39 2.874 16.854 -5.035 1.00 20.32 H ATOM 592 HG13 VAL A 39 2.904 15.777 -6.218 1.00 20.32 H ATOM 593 HG21 VAL A 39 3.082 18.903 -7.975 1.00 18.58 H ATOM 594 HG22 VAL A 39 2.214 17.563 -7.861 1.00 18.58 H ATOM 595 HG23 VAL A 39 2.184 18.640 -6.677 1.00 18.58 H ATOM 596 N LYS A 40 6.626 19.091 -7.455 1.00 8.95 N ANISOU 596 N LYS A 40 1073 1494 749 380 110 168 N ATOM 597 CA LYS A 40 7.295 19.749 -8.594 1.00 8.24 C ANISOU 597 CA LYS A 40 965 1316 773 263 23 71 C ATOM 598 C LYS A 40 7.052 18.933 -9.829 1.00 8.09 C ANISOU 598 C LYS A 40 898 1299 802 215 156 85 C ATOM 599 O LYS A 40 7.321 17.731 -9.854 1.00 9.28 O ANISOU 599 O LYS A 40 1174 1190 1075 213 186 3 O ATOM 600 CB LYS A 40 8.777 19.841 -8.302 1.00 9.49 C ANISOU 600 CB LYS A 40 1002 1519 997 275 -73 34 C ATOM 601 CG LYS A 40 9.520 20.681 -9.299 1.00 10.83 C ANISOU 601 CG LYS A 40 1033 1704 1276 13 -9 187 C ATOM 602 CD ALYS A 40 10.981 20.754 -8.780 0.57 11.41 C ANISOU 602 CD ALYS A 40 1178 1842 1207 18 -38 8 C ATOM 603 CD BLYS A 40 11.013 20.813 -9.088 0.43 14.37 C ANISOU 603 CD BLYS A 40 1009 1994 2321 116 -153 264 C ATOM 604 CE ALYS A 40 11.793 21.731 -9.629 0.57 11.24 C ANISOU 604 CE ALYS A 40 1049 1702 1415 38 54 112 C ATOM 605 CE BLYS A 40 11.219 21.329 -7.676 0.43 18.96 C ANISOU 605 CE BLYS A 40 1493 2794 2738 -265 -892 -221 C ATOM 606 NZ ALYS A 40 13.217 21.826 -9.057 0.57 12.62 N ANISOU 606 NZ ALYS A 40 1345 1599 1733 -163 -250 -116 N ATOM 607 NZ BLYS A 40 10.157 22.259 -7.193 0.43 29.54 N ANISOU 607 NZ BLYS A 40 4563 2989 3395 470 1220 -276 N ATOM 608 H LYS A 40 7.010 18.389 -7.089 1.00 10.74 H ATOM 609 HA LYS A 40 6.919 20.668 -8.720 1.00 9.89 H ATOM 610 HB2 LYS A 40 8.904 20.226 -7.399 1.00 11.39 H ATOM 611 HB3 LYS A 40 9.162 18.929 -8.299 1.00 11.39 H ATOM 612 N LEU A 41 6.492 19.607 -10.828 1.00 7.82 N ANISOU 612 N LEU A 41 887 1237 774 95 9 -43 N ATOM 613 CA LEU A 41 6.136 18.949 -12.086 1.00 8.49 C ANISOU 613 CA LEU A 41 900 1436 811 -2 0 -68 C ATOM 614 C LEU A 41 7.364 18.861 -12.967 1.00 9.41 C ANISOU 614 C LEU A 41 969 1577 940 48 -15 -164 C ATOM 615 O LEU A 41 8.406 19.464 -12.753 1.00 9.15 O ANISOU 615 O LEU A 41 891 1635 864 -3 -18 -66 O ATOM 616 CB LEU A 41 5.058 19.775 -12.759 1.00 8.73 C ANISOU 616 CB LEU A 41 914 1520 802 -31 -22 -73 C ATOM 617 CG LEU A 41 3.761 19.949 -11.945 1.00 8.47 C ANISOU 617 CG LEU A 41 792 1622 723 -46 29 -48 C ATOM 618 CD1 LEU A 41 2.801 20.857 -12.694 1.00 9.59 C ANISOU 618 CD1 LEU A 41 997 1683 871 -4 -51 54 C ATOM 619 CD2 LEU A 41 3.155 18.608 -11.629 1.00 11.13 C ANISOU 619 CD2 LEU A 41 1072 1655 1399 113 298 161 C ATOM 620 H LEU A 41 6.332 20.467 -10.731 1.00 9.39 H ATOM 621 HA LEU A 41 5.789 18.030 -11.899 1.00 10.19 H ATOM 622 HB2 LEU A 41 5.428 20.672 -12.956 1.00 10.48 H ATOM 623 HB3 LEU A 41 4.831 19.350 -13.624 1.00 10.48 H ATOM 624 HG LEU A 41 3.996 20.393 -11.080 1.00 10.16 H ATOM 625 HD11 LEU A 41 3.238 21.715 -12.877 1.00 14.38 H ATOM 626 HD12 LEU A 41 2.545 20.434 -13.540 1.00 14.38 H ATOM 627 HD13 LEU A 41 2.001 21.007 -12.148 1.00 14.38 H ATOM 628 HD21 LEU A 41 3.809 18.060 -11.147 1.00 16.70 H ATOM 629 HD22 LEU A 41 2.359 18.733 -11.071 1.00 16.70 H ATOM 630 HD23 LEU A 41 2.903 18.160 -12.463 1.00 16.70 H ATOM 631 N SER A 42 7.193 18.047 -14.043 1.00 11.73 N ANISOU 631 N SER A 42 1098 2074 1175 -33 111 -598 N ATOM 632 CA SER A 42 8.309 17.826 -14.974 1.00 12.62 C ANISOU 632 CA SER A 42 1050 2274 1351 290 175 -527 C ATOM 633 C SER A 42 8.972 19.104 -15.442 1.00 12.18 C ANISOU 633 C SER A 42 1197 2562 752 355 177 -215 C ATOM 634 O SER A 42 10.198 19.166 -15.600 1.00 13.60 O ANISOU 634 O SER A 42 1174 2911 956 395 306 -30 O ATOM 635 CB SER A 42 7.763 17.110 -16.238 1.00 16.17 C ANISOU 635 CB SER A 42 1863 2736 1394 396 386 -932 C ATOM 636 OG SER A 42 7.287 15.824 -15.845 1.00 19.16 O ANISOU 636 OG SER A 42 1932 2790 2377 108 390 -1197 O ATOM 637 H SER A 42 6.418 17.655 -14.181 1.00 14.08 H ATOM 638 HA SER A 42 8.993 17.243 -14.535 1.00 15.14 H ATOM 639 HB2 SER A 42 7.027 17.638 -16.637 1.00 19.41 H ATOM 640 HB3 SER A 42 8.482 17.016 -16.913 1.00 19.41 H ATOM 641 HG SER A 42 7.604 15.626 -15.093 1.00 28.74 H ATOM 642 N ASP A 43 8.180 20.117 -15.678 1.00 12.61 N ANISOU 642 N ASP A 43 1367 2539 767 316 62 -37 N ATOM 643 CA ASP A 43 8.684 21.361 -16.183 1.00 13.90 C ANISOU 643 CA ASP A 43 1501 2816 833 518 196 210 C ATOM 644 C ASP A 43 9.152 22.340 -15.126 1.00 12.56 C ANISOU 644 C ASP A 43 1093 2386 1174 175 169 452 C ATOM 645 O ASP A 43 9.532 23.488 -15.447 1.00 16.24 O ANISOU 645 O ASP A 43 1481 2609 1927 118 310 895 O ATOM 646 CB ASP A 43 7.685 21.992 -17.155 1.00 16.32 C ANISOU 646 CB ASP A 43 2164 2885 997 759 -114 97 C ATOM 647 CG ASP A 43 6.518 22.637 -16.501 1.00 17.89 C ANISOU 647 CG ASP A 43 1679 3777 1174 736 -383 -175 C ATOM 648 OD1 ASP A 43 6.385 22.573 -15.260 1.00 15.94 O ANISOU 648 OD1 ASP A 43 1217 3497 1193 407 -222 -123 O ATOM 649 OD2 ASP A 43 5.725 23.305 -17.259 1.00 21.14 O ANISOU 649 OD2 ASP A 43 2240 4196 1397 1224 -596 -265 O ATOM 650 H ASP A 43 7.318 20.033 -15.524 1.00 15.13 H ATOM 651 HA ASP A 43 9.493 21.133 -16.726 1.00 16.68 H ATOM 652 HB2 ASP A 43 8.158 22.670 -17.700 1.00 19.58 H ATOM 653 HB3 ASP A 43 7.356 21.290 -17.771 1.00 19.58 H ATOM 654 N GLY A 44 9.130 21.997 -13.838 1.00 11.04 N ANISOU 654 N GLY A 44 974 2082 1036 -18 100 239 N ATOM 655 CA GLY A 44 9.567 22.826 -12.761 1.00 11.71 C ANISOU 655 CA GLY A 44 869 2042 1427 -154 -67 119 C ATOM 656 C GLY A 44 8.509 23.595 -12.033 1.00 10.82 C ANISOU 656 C GLY A 44 1076 1635 1298 -19 -310 29 C ATOM 657 O GLY A 44 8.775 24.139 -10.946 1.00 13.20 O ANISOU 657 O GLY A 44 1358 1958 1575 -116 -428 -264 O ATOM 658 H GLY A 44 8.822 21.198 -13.637 1.00 13.25 H ATOM 659 HA2 GLY A 44 10.039 22.254 -12.105 1.00 14.05 H ATOM 660 HA3 GLY A 44 10.228 23.472 -13.117 1.00 14.05 H ATOM 661 N ARG A 45 7.293 23.682 -12.566 1.00 10.04 N ANISOU 661 N ARG A 45 1065 1563 1093 -59 -81 67 N ATOM 662 CA ARG A 45 6.231 24.301 -11.823 1.00 9.39 C ANISOU 662 CA ARG A 45 1109 1205 1165 -39 -114 12 C ATOM 663 C ARG A 45 5.950 23.525 -10.539 1.00 9.44 C ANISOU 663 C ARG A 45 1114 1294 1093 59 -45 -96 C ATOM 664 O ARG A 45 6.148 22.314 -10.506 1.00 10.47 O ANISOU 664 O ARG A 45 1535 1230 1114 267 11 -42 O ATOM 665 CB ARG A 45 4.939 24.335 -12.636 1.00 10.26 C ANISOU 665 CB ARG A 45 1229 1309 1264 -27 -199 -58 C ATOM 666 CG ARG A 45 4.969 25.316 -13.779 1.00 11.90 C ANISOU 666 CG ARG A 45 1560 1500 1350 -130 -515 114 C ATOM 667 CD ARG A 45 3.692 25.215 -14.617 1.00 13.11 C ANISOU 667 CD ARG A 45 1359 1854 1647 253 -496 32 C ATOM 668 NE ARG A 45 3.659 23.926 -15.297 1.00 12.70 N ANISOU 668 NE ARG A 45 1224 2052 1430 -152 -284 -41 N ATOM 669 CZ ARG A 45 2.598 23.241 -15.688 1.00 12.18 C ANISOU 669 CZ ARG A 45 1308 2210 996 -353 -304 391 C ATOM 670 NH1 ARG A 45 1.379 23.715 -15.472 1.00 15.00 N ANISOU 670 NH1 ARG A 45 1264 2760 1533 -379 -384 389 N ATOM 671 NH2 ARG A 45 2.775 22.076 -16.297 1.00 14.02 N ANISOU 671 NH2 ARG A 45 1885 2040 1270 -540 -600 364 N ATOM 672 H ARG A 45 7.139 23.361 -13.371 1.00 12.05 H ATOM 673 HA ARG A 45 6.496 25.236 -11.589 1.00 11.27 H ATOM 674 HB2 ARG A 45 4.764 23.430 -12.996 1.00 12.31 H ATOM 675 HB3 ARG A 45 4.188 24.569 -12.034 1.00 12.31 H ATOM 676 HG2 ARG A 45 5.058 26.235 -13.422 1.00 14.28 H ATOM 677 HG3 ARG A 45 5.756 25.131 -14.351 1.00 14.28 H ATOM 678 HD2 ARG A 45 2.899 25.306 -14.032 1.00 15.74 H ATOM 679 HD3 ARG A 45 3.671 25.946 -15.285 1.00 15.74 H ATOM 680 HE ARG A 45 4.441 23.558 -15.466 1.00 15.24 H ATOM 681 HH11 ARG A 45 1.274 24.489 -15.067 1.00 18.00 H ATOM 682 HH12 ARG A 45 0.676 23.256 -15.735 1.00 18.00 H ATOM 683 HH21 ARG A 45 3.589 21.770 -16.434 1.00 16.82 H ATOM 684 HH22 ARG A 45 2.079 21.608 -16.564 1.00 16.82 H ATOM 685 N AGLU A 46 5.434 24.167 -9.487 0.42 9.30 N ANISOU 685 N AGLU A 46 1089 1113 1244 116 19 -28 N ATOM 686 N BGLU A 46 5.426 24.280 -9.562 0.58 11.31 N ANISOU 686 N BGLU A 46 1464 1438 1288 15 227 -210 N ATOM 687 CA AGLU A 46 4.998 23.429 -8.301 0.42 9.86 C ANISOU 687 CA AGLU A 46 1239 1406 1010 16 -75 -108 C ATOM 688 CA BGLU A 46 5.044 23.697 -8.291 0.58 11.23 C ANISOU 688 CA BGLU A 46 1347 1525 1290 151 224 -119 C ATOM 689 C AGLU A 46 3.497 23.585 -8.120 0.42 8.78 C ANISOU 689 C AGLU A 46 1281 930 1041 199 124 -288 C ATOM 690 C BGLU A 46 3.590 23.912 -7.966 0.58 11.27 C ANISOU 690 C BGLU A 46 1253 1550 1371 420 111 211 C ATOM 691 O AGLU A 46 2.945 24.605 -8.542 0.42 9.30 O ANISOU 691 O AGLU A 46 1369 852 1225 117 277 -140 O ATOM 692 O BGLU A 46 3.060 24.996 -8.170 0.58 15.71 O ANISOU 692 O BGLU A 46 2138 1408 2277 753 200 -370 O ATOM 693 CB AGLU A 46 5.759 23.899 -7.036 0.42 11.80 C ANISOU 693 CB AGLU A 46 1663 1510 1200 8 -200 -390 C ATOM 694 CB BGLU A 46 5.812 24.351 -7.112 0.58 12.85 C ANISOU 694 CB BGLU A 46 1479 2004 1280 74 149 -144 C ATOM 695 CG AGLU A 46 7.196 23.342 -6.993 0.42 12.94 C ANISOU 695 CG AGLU A 46 1267 2223 1305 -329 -176 -319 C ATOM 696 CG BGLU A 46 7.316 24.119 -7.304 0.58 14.69 C ANISOU 696 CG BGLU A 46 1453 2232 1759 -70 97 -102 C ATOM 697 CD AGLU A 46 7.879 23.547 -5.668 0.42 15.29 C ANISOU 697 CD AGLU A 46 1514 2731 1424 -151 -165 -328 C ATOM 698 CD BGLU A 46 8.032 24.758 -6.162 0.58 18.11 C ANISOU 698 CD BGLU A 46 1981 2277 2451 -90 -522 -246 C ATOM 699 OE1AGLU A 46 7.928 24.714 -5.261 0.42 19.82 O ANISOU 699 OE1AGLU A 46 2669 3153 1522 -582 -346 -859 O ATOM 700 OE1BGLU A 46 7.599 25.849 -5.720 0.58 31.70 O ANISOU 700 OE1BGLU A 46 3234 3753 4758 346 -614 -2257 O ATOM 701 OE2AGLU A 46 8.368 22.607 -4.955 0.42 20.28 O ANISOU 701 OE2AGLU A 46 2438 3732 1346 -236 -320 414 O ATOM 702 OE2BGLU A 46 9.021 24.215 -5.671 0.58 29.75 O ANISOU 702 OE2BGLU A 46 3015 3018 4992 -319 -2273 254 O ATOM 703 N ALEU A 47 2.855 22.591 -7.521 0.42 8.58 N ANISOU 703 N ALEU A 47 1058 1262 858 429 81 122 N ATOM 704 N BLEU A 47 2.965 22.873 -7.414 0.58 10.54 N ANISOU 704 N BLEU A 47 1207 1787 913 160 61 -41 N ATOM 705 CA ALEU A 47 1.456 22.503 -7.174 0.42 8.29 C ANISOU 705 CA ALEU A 47 1014 1263 795 218 -203 -23 C ATOM 706 CA BLEU A 47 1.561 23.056 -7.019 0.58 10.02 C ANISOU 706 CA BLEU A 47 1194 1618 901 145 -65 89 C ATOM 707 C ALEU A 47 1.289 21.906 -5.771 0.42 6.93 C ANISOU 707 C ALEU A 47 758 982 830 34 -168 -1 C ATOM 708 C BLEU A 47 1.460 22.302 -5.686 0.58 8.54 C ANISOU 708 C BLEU A 47 1091 1113 962 302 6 -39 C ATOM 709 O ALEU A 47 1.968 20.945 -5.428 0.42 8.16 O ANISOU 709 O ALEU A 47 933 1246 845 359 -128 -49 O ATOM 710 O BLEU A 47 2.295 21.503 -5.312 0.58 8.50 O ANISOU 710 O BLEU A 47 1010 1274 866 305 -37 -12 O ATOM 711 CB ALEU A 47 0.601 21.573 -8.040 0.42 9.42 C ANISOU 711 CB ALEU A 47 1384 1339 768 102 -219 -100 C ATOM 712 CB BLEU A 47 0.536 22.612 -8.053 0.58 11.35 C ANISOU 712 CB BLEU A 47 1311 1882 1014 160 -140 -105 C ATOM 713 CG ALEU A 47 0.515 21.979 -9.522 0.42 11.86 C ANISOU 713 CG ALEU A 47 1127 2570 697 63 -31 -87 C ATOM 714 CG BLEU A 47 0.606 21.219 -8.651 0.58 12.62 C ANISOU 714 CG BLEU A 47 1811 1938 930 35 -40 -195 C ATOM 715 CD1ALEU A 47 -0.177 20.906 -10.361 0.42 15.88 C ANISOU 715 CD1ALEU A 47 939 3866 1080 151 15 -1143 C ATOM 716 CD1BLEU A 47 0.114 20.159 -7.691 0.58 12.71 C ANISOU 716 CD1BLEU A 47 1773 1773 1165 313 10 -111 C ATOM 717 CD2ALEU A 47 -0.145 23.339 -9.691 0.42 17.78 C ANISOU 717 CD2ALEU A 47 2157 2782 1649 212 -1126 677 C ATOM 718 CD2BLEU A 47 -0.207 21.162 -9.970 0.58 14.15 C ANISOU 718 CD2BLEU A 47 1757 2749 738 334 58 -409 C ATOM 719 N CYS A 48 0.325 22.487 -5.025 1.00 8.46 N ANISOU 719 N CYS A 48 964 1079 1091 259 -57 117 N ATOM 720 CA CYS A 48 -0.026 21.825 -3.799 1.00 7.97 C ANISOU 720 CA CYS A 48 866 1147 940 232 -59 -115 C ATOM 721 C CYS A 48 -1.258 20.945 -4.019 1.00 7.65 C ANISOU 721 C CYS A 48 935 1188 712 207 -53 -91 C ATOM 722 O CYS A 48 -2.123 21.264 -4.837 1.00 8.71 O ANISOU 722 O CYS A 48 1020 1328 880 209 -202 34 O ATOM 723 CB CYS A 48 -0.362 22.809 -2.662 1.00 10.31 C ANISOU 723 CB CYS A 48 1312 1397 1113 110 -40 -308 C ATOM 724 SG CYS A 48 1.053 23.889 -2.317 1.00 11.74 S ANISOU 724 SG CYS A 48 1344 1597 1408 22 -48 -387 S ATOM 725 H CYS A 48 -0.069 23.233 -5.277 1.00 10.15 H ATOM 726 HA CYS A 48 0.738 21.247 -3.512 1.00 9.56 H ATOM 727 HB2 CYS A 48 -1.143 23.360 -2.921 1.00 12.38 H ATOM 728 HB3 CYS A 48 -0.600 22.304 -1.845 1.00 12.38 H ATOM 729 N LEU A 49 -1.331 19.846 -3.260 1.00 7.92 N ANISOU 729 N LEU A 49 971 1197 766 168 -129 -14 N ATOM 730 CA LEU A 49 -2.383 18.865 -3.389 1.00 8.09 C ANISOU 730 CA LEU A 49 924 1315 759 96 -101 -51 C ATOM 731 C LEU A 49 -3.048 18.640 -2.032 1.00 8.33 C ANISOU 731 C LEU A 49 905 1376 807 181 -50 -83 C ATOM 732 O LEU A 49 -2.376 18.674 -0.987 1.00 9.61 O ANISOU 732 O LEU A 49 1070 1681 811 219 -98 27 O ATOM 733 CB LEU A 49 -1.820 17.548 -3.890 1.00 8.50 C ANISOU 733 CB LEU A 49 1031 1309 809 156 25 -26 C ATOM 734 CG LEU A 49 -1.116 17.600 -5.253 1.00 9.85 C ANISOU 734 CG LEU A 49 1399 1352 899 -2 219 -115 C ATOM 735 CD1 LEU A 49 -0.628 16.216 -5.617 1.00 12.03 C ANISOU 735 CD1 LEU A 49 1851 1435 1172 62 537 -218 C ATOM 736 CD2 LEU A 49 -2.051 18.141 -6.313 1.00 14.03 C ANISOU 736 CD2 LEU A 49 2557 1913 729 285 -159 -128 C ATOM 737 H LEU A 49 -0.709 19.715 -2.652 1.00 9.50 H ATOM 738 HA LEU A 49 -3.067 19.199 -4.038 1.00 9.71 H ATOM 739 HB2 LEU A 49 -1.176 17.210 -3.219 1.00 10.20 H ATOM 740 HB3 LEU A 49 -2.561 16.894 -3.946 1.00 10.20 H ATOM 741 HG LEU A 49 -0.326 18.209 -5.182 1.00 11.82 H ATOM 742 HD11 LEU A 49 -0.026 15.887 -4.917 1.00 18.05 H ATOM 743 HD12 LEU A 49 -1.394 15.610 -5.699 1.00 18.05 H ATOM 744 HD13 LEU A 49 -0.148 16.252 -6.471 1.00 18.05 H ATOM 745 HD21 LEU A 49 -2.353 19.037 -6.056 1.00 21.04 H ATOM 746 HD22 LEU A 49 -1.580 18.189 -7.171 1.00 21.04 H ATOM 747 HD23 LEU A 49 -2.826 17.547 -6.400 1.00 21.04 H ATOM 748 N ASP A 50 -4.331 18.370 -2.030 1.00 8.59 N ANISOU 748 N ASP A 50 995 1420 769 202 36 -2 N ATOM 749 CA ASP A 50 -5.076 18.122 -0.802 1.00 9.35 C ANISOU 749 CA ASP A 50 999 1455 1010 177 85 86 C ATOM 750 C ASP A 50 -4.752 16.725 -0.268 1.00 8.37 C ANISOU 750 C ASP A 50 893 1410 797 56 91 23 C ATOM 751 O ASP A 50 -5.122 15.740 -0.903 1.00 9.01 O ANISOU 751 O ASP A 50 945 1516 878 89 48 3 O ATOM 752 CB ASP A 50 -6.582 18.259 -1.075 1.00 10.43 C ANISOU 752 CB ASP A 50 1032 1681 1154 206 119 115 C ATOM 753 CG ASP A 50 -7.422 18.093 0.174 1.00 11.56 C ANISOU 753 CG ASP A 50 1191 1941 1154 390 226 -72 C ATOM 754 OD1 ASP A 50 -6.911 17.642 1.220 1.00 12.57 O ANISOU 754 OD1 ASP A 50 1480 2003 1177 378 394 128 O ATOM 755 OD2 ASP A 50 -8.626 18.386 0.089 1.00 16.96 O ANISOU 755 OD2 ASP A 50 1247 3494 1545 663 348 54 O ATOM 756 H ASP A 50 -4.758 18.337 -2.798 1.00 10.31 H ATOM 757 HA ASP A 50 -4.808 18.800 -0.118 1.00 11.22 H ATOM 758 HB2 ASP A 50 -6.759 19.151 -1.467 1.00 12.52 H ATOM 759 HB3 ASP A 50 -6.853 17.577 -1.740 1.00 12.52 H ATOM 760 N PRO A 51 -4.090 16.616 0.872 1.00 9.31 N ANISOU 760 N PRO A 51 1123 1448 877 85 21 28 N ATOM 761 CA PRO A 51 -3.676 15.284 1.350 1.00 9.71 C ANISOU 761 CA PRO A 51 1156 1499 942 100 -1 70 C ATOM 762 C PRO A 51 -4.838 14.382 1.691 1.00 9.63 C ANISOU 762 C PRO A 51 1200 1526 843 116 48 81 C ATOM 763 O PRO A 51 -4.584 13.169 1.809 1.00 11.42 O ANISOU 763 O PRO A 51 1285 1682 1266 95 219 163 O ATOM 764 CB PRO A 51 -2.890 15.590 2.644 1.00 11.36 C ANISOU 764 CB PRO A 51 1264 1982 965 72 -110 182 C ATOM 765 CG PRO A 51 -3.280 16.963 3.028 1.00 20.65 C ANISOU 765 CG PRO A 51 4216 1611 1827 -77 -1596 42 C ATOM 766 CD PRO A 51 -3.667 17.679 1.794 1.00 10.38 C ANISOU 766 CD PRO A 51 1394 1610 842 13 -65 -145 C ATOM 767 HA PRO A 51 -3.080 14.844 0.679 1.00 11.65 H ATOM 768 HB2 PRO A 51 -3.129 14.947 3.357 1.00 13.64 H ATOM 769 HB3 PRO A 51 -1.915 15.537 2.480 1.00 13.64 H ATOM 770 HG2 PRO A 51 -4.041 16.938 3.661 1.00 24.78 H ATOM 771 HG3 PRO A 51 -2.521 17.423 3.467 1.00 24.78 H ATOM 772 HD2 PRO A 51 -4.409 18.310 1.970 1.00 12.45 H ATOM 773 HD3 PRO A 51 -2.899 18.183 1.424 1.00 12.45 H ATOM 774 N LYS A 52 -6.052 14.892 1.865 1.00 10.39 N ANISOU 774 N LYS A 52 1267 1712 872 77 211 94 N ATOM 775 CA LYS A 52 -7.191 14.098 2.199 1.00 11.50 C ANISOU 775 CA LYS A 52 1250 2001 1012 -16 306 123 C ATOM 776 C LYS A 52 -7.855 13.440 1.003 1.00 11.73 C ANISOU 776 C LYS A 52 1062 2163 1123 2 206 198 C ATOM 777 O LYS A 52 -8.669 12.538 1.195 1.00 12.98 O ANISOU 777 O LYS A 52 1171 2334 1304 -256 152 379 O ATOM 778 CB LYS A 52 -8.213 14.956 2.922 1.00 16.34 C ANISOU 778 CB LYS A 52 1617 2987 1452 96 725 -212 C ATOM 779 CG LYS A 52 -7.732 15.529 4.224 1.00 19.49 C ANISOU 779 CG LYS A 52 2110 3558 1553 65 812 -649 C ATOM 780 CD LYS A 52 -7.529 14.593 5.374 0.50 29.94 C ANISOU 780 CD LYS A 52 3595 5990 1509 -671 306 277 C ATOM 781 CE LYS A 52 -7.618 15.235 6.762 0.50 33.50 C ANISOU 781 CE LYS A 52 3444 7315 1654 -1357 896 -193 C ATOM 782 NZ LYS A 52 -7.258 16.669 6.779 0.50 54.85 N ANISOU 782 NZ LYS A 52 6801 8883 4643 -4754 -1875 -1885 N ATOM 783 H LYS A 52 -6.160 15.761 1.771 1.00 12.47 H ATOM 784 HA LYS A 52 -6.893 13.377 2.825 1.00 13.80 H ATOM 785 HB2 LYS A 52 -8.480 15.701 2.327 1.00 19.61 H ATOM 786 HB3 LYS A 52 -9.020 14.408 3.096 1.00 19.61 H ATOM 787 HG2 LYS A 52 -6.872 15.989 4.052 1.00 23.38 H ATOM 788 HG3 LYS A 52 -8.381 16.221 4.507 1.00 23.38 H ATOM 789 N GLU A 53 -7.560 13.879 -0.221 1.00 10.30 N ANISOU 789 N GLU A 53 980 1740 1096 -38 239 109 N ATOM 790 CA GLU A 53 -8.194 13.272 -1.387 1.00 10.26 C ANISOU 790 CA GLU A 53 880 1728 1193 41 55 123 C ATOM 791 C GLU A 53 -7.598 11.927 -1.724 1.00 9.51 C ANISOU 791 C GLU A 53 802 1656 1064 -11 63 203 C ATOM 792 O GLU A 53 -6.379 11.787 -1.842 1.00 9.79 O ANISOU 792 O GLU A 53 847 1664 1117 -6 109 114 O ATOM 793 CB GLU A 53 -8.045 14.175 -2.606 1.00 11.02 C ANISOU 793 CB GLU A 53 862 1816 1406 32 18 391 C ATOM 794 CG GLU A 53 -8.936 15.403 -2.551 1.00 11.95 C ANISOU 794 CG GLU A 53 1072 1789 1566 71 51 273 C ATOM 795 CD GLU A 53 -10.399 15.115 -2.935 1.00 13.43 C ANISOU 795 CD GLU A 53 1089 1934 1955 252 -187 410 C ATOM 796 OE1 GLU A 53 -10.724 13.998 -3.456 1.00 16.21 O ANISOU 796 OE1 GLU A 53 1143 2192 2670 52 -234 105 O ATOM 797 OE2 GLU A 53 -11.192 16.020 -2.755 1.00 15.35 O ANISOU 797 OE2 GLU A 53 1269 2336 2083 347 -45 269 O ATOM 798 H GLU A 53 -6.983 14.535 -0.325 1.00 12.36 H ATOM 799 HA GLU A 53 -9.167 13.151 -1.195 1.00 12.31 H ATOM 800 HB2 GLU A 53 -7.102 14.466 -2.679 1.00 13.23 H ATOM 801 HB3 GLU A 53 -8.265 13.656 -3.420 1.00 13.23 H ATOM 802 HG2 GLU A 53 -8.912 15.776 -1.634 1.00 14.34 H ATOM 803 HG3 GLU A 53 -8.573 16.090 -3.165 1.00 14.34 H ATOM 804 N ASN A 54 -8.462 10.944 -1.972 1.00 10.31 N ANISOU 804 N ASN A 54 877 1697 1245 -51 129 225 N ATOM 805 CA ASN A 54 -7.965 9.662 -2.362 1.00 11.03 C ANISOU 805 CA ASN A 54 1010 1724 1354 -80 149 182 C ATOM 806 C ASN A 54 -7.093 9.710 -3.598 1.00 9.76 C ANISOU 806 C ASN A 54 957 1491 1168 -205 2 71 C ATOM 807 O ASN A 54 -6.069 9.017 -3.662 1.00 10.37 O ANISOU 807 O ASN A 54 1063 1482 1296 -28 85 186 O ATOM 808 CB ASN A 54 -9.131 8.692 -2.572 1.00 12.71 C ANISOU 808 CB ASN A 54 1147 1761 1804 -299 358 248 C ATOM 809 CG ASN A 54 -8.650 7.300 -2.919 0.50 13.31 C ANISOU 809 CG ASN A 54 1238 1787 1908 -536 450 185 C ATOM 810 OD1 ASN A 54 -8.693 6.912 -4.085 0.50 15.63 O ANISOU 810 OD1 ASN A 54 1693 1877 2221 -451 76 -195 O ATOM 811 ND2 ASN A 54 -8.183 6.577 -1.923 0.50 15.36 N ANISOU 811 ND2 ASN A 54 1843 1482 2367 -181 19 106 N ATOM 812 H ASN A 54 -9.328 11.082 -1.897 1.00 12.37 H ATOM 813 HA ASN A 54 -7.408 9.310 -1.610 1.00 13.24 H ATOM 814 HB2 ASN A 54 -9.676 8.653 -1.746 1.00 15.26 H ATOM 815 HB3 ASN A 54 -9.709 9.029 -3.302 1.00 15.26 H ATOM 816 HD21 ASN A 54 -7.877 5.766 -2.074 0.50 18.43 H ATOM 817 HD22 ASN A 54 -8.176 6.905 -1.106 0.50 18.43 H ATOM 818 N TRP A 55 -7.478 10.494 -4.621 1.00 9.72 N ANISOU 818 N TRP A 55 934 1499 1168 -79 67 74 N ATOM 819 CA TRP A 55 -6.699 10.489 -5.836 1.00 9.23 C ANISOU 819 CA TRP A 55 1105 1299 1017 -129 55 -68 C ATOM 820 C TRP A 55 -5.298 11.028 -5.572 1.00 8.77 C ANISOU 820 C TRP A 55 927 1479 843 65 25 17 C ATOM 821 O TRP A 55 -4.320 10.574 -6.174 1.00 9.52 O ANISOU 821 O TRP A 55 1016 1453 1057 -14 64 -65 O ATOM 822 CB TRP A 55 -7.346 11.253 -6.973 1.00 10.21 C ANISOU 822 CB TRP A 55 1024 1651 1107 -81 -50 51 C ATOM 823 CG TRP A 55 -7.332 12.728 -6.939 1.00 9.52 C ANISOU 823 CG TRP A 55 1006 1652 870 -19 -57 83 C ATOM 824 CD1 TRP A 55 -8.317 13.576 -6.512 1.00 10.83 C ANISOU 824 CD1 TRP A 55 1124 1766 1124 48 80 176 C ATOM 825 CD2 TRP A 55 -6.265 13.613 -7.398 1.00 9.41 C ANISOU 825 CD2 TRP A 55 1008 1644 835 -106 -160 120 C ATOM 826 NE1 TRP A 55 -7.945 14.884 -6.662 1.00 10.71 N ANISOU 826 NE1 TRP A 55 1262 1673 1033 112 -26 38 N ATOM 827 CE2 TRP A 55 -6.689 14.932 -7.202 1.00 9.80 C ANISOU 827 CE2 TRP A 55 1162 1623 848 18 -85 145 C ATOM 828 CE3 TRP A 55 -4.988 13.373 -7.922 1.00 9.43 C ANISOU 828 CE3 TRP A 55 1042 1668 784 -73 -72 40 C ATOM 829 CZ2 TRP A 55 -5.896 16.073 -7.535 1.00 10.28 C ANISOU 829 CZ2 TRP A 55 1387 1618 805 0 -150 149 C ATOM 830 CZ3 TRP A 55 -4.227 14.462 -8.258 1.00 10.17 C ANISOU 830 CZ3 TRP A 55 1048 1809 910 -105 -130 121 C ATOM 831 CH2 TRP A 55 -4.683 15.784 -8.074 1.00 10.47 C ANISOU 831 CH2 TRP A 55 1318 1777 786 -273 -187 151 C ATOM 832 H TRP A 55 -8.193 11.002 -4.551 1.00 11.66 H ATOM 833 HA TRP A 55 -6.605 9.538 -6.128 1.00 11.08 H ATOM 834 HB2 TRP A 55 -6.906 10.969 -7.813 1.00 12.25 H ATOM 835 HB3 TRP A 55 -8.292 10.965 -7.028 1.00 12.25 H ATOM 836 HD1 TRP A 55 -9.152 13.293 -6.156 1.00 13.00 H ATOM 837 HE1 TRP A 55 -8.435 15.582 -6.447 1.00 12.85 H ATOM 838 HE3 TRP A 55 -4.662 12.489 -8.040 1.00 11.31 H ATOM 839 HZ2 TRP A 55 -6.194 16.964 -7.391 1.00 12.34 H ATOM 840 HZ3 TRP A 55 -3.363 14.322 -8.628 1.00 12.20 H ATOM 841 HH2 TRP A 55 -4.119 16.501 -8.337 1.00 12.57 H ATOM 842 N VAL A 56 -5.167 11.983 -4.694 1.00 8.54 N ANISOU 842 N VAL A 56 808 1398 959 -19 86 16 N ATOM 843 CA VAL A 56 -3.883 12.557 -4.302 1.00 8.13 C ANISOU 843 CA VAL A 56 825 1373 814 -6 9 55 C ATOM 844 C VAL A 56 -3.045 11.499 -3.609 1.00 8.07 C ANISOU 844 C VAL A 56 845 1190 955 -75 63 -33 C ATOM 845 O VAL A 56 -1.863 11.311 -3.893 1.00 8.91 O ANISOU 845 O VAL A 56 837 1298 1167 33 120 73 O ATOM 846 CB VAL A 56 -4.072 13.804 -3.440 1.00 8.24 C ANISOU 846 CB VAL A 56 847 1374 833 8 59 33 C ATOM 847 CG1 VAL A 56 -2.755 14.228 -2.793 1.00 8.66 C ANISOU 847 CG1 VAL A 56 848 1379 983 17 -70 81 C ATOM 848 CG2 VAL A 56 -4.698 14.924 -4.240 1.00 8.33 C ANISOU 848 CG2 VAL A 56 897 1355 834 31 -38 4 C ATOM 849 H VAL A 56 -5.896 12.300 -4.315 1.00 10.25 H ATOM 850 HA VAL A 56 -3.403 12.831 -5.135 1.00 9.75 H ATOM 851 HB VAL A 56 -4.706 13.569 -2.704 1.00 9.89 H ATOM 852 HG11 VAL A 56 -2.384 13.477 -2.286 1.00 12.99 H ATOM 853 HG12 VAL A 56 -2.121 14.497 -3.490 1.00 12.99 H ATOM 854 HG13 VAL A 56 -2.916 14.983 -2.189 1.00 12.99 H ATOM 855 HG21 VAL A 56 -5.538 14.612 -4.637 1.00 12.49 H ATOM 856 HG22 VAL A 56 -4.879 15.686 -3.651 1.00 12.49 H ATOM 857 HG23 VAL A 56 -4.083 15.201 -4.952 1.00 12.49 H ATOM 858 N GLN A 57 -3.667 10.818 -2.643 1.00 8.54 N ANISOU 858 N GLN A 57 886 1267 1011 69 76 84 N ATOM 859 CA GLN A 57 -2.934 9.778 -1.937 1.00 9.30 C ANISOU 859 CA GLN A 57 1022 1322 1101 2 78 147 C ATOM 860 C GLN A 57 -2.381 8.749 -2.895 1.00 9.41 C ANISOU 860 C GLN A 57 1078 1307 1101 46 114 254 C ATOM 861 O GLN A 57 -1.249 8.265 -2.774 1.00 10.27 O ANISOU 861 O GLN A 57 1061 1453 1290 174 72 82 O ATOM 862 CB GLN A 57 -3.855 9.141 -0.876 1.00 10.11 C ANISOU 862 CB GLN A 57 1223 1380 1145 110 122 265 C ATOM 863 CG GLN A 57 -4.285 10.198 0.179 1.00 10.24 C ANISOU 863 CG GLN A 57 1019 1625 1149 58 174 259 C ATOM 864 CD GLN A 57 -5.176 9.639 1.243 1.00 12.82 C ANISOU 864 CD GLN A 57 1697 1519 1536 50 542 210 C ATOM 865 OE1 GLN A 57 -5.505 8.459 1.219 1.00 19.25 O ANISOU 865 OE1 GLN A 57 3005 1722 2408 -377 1405 158 O ATOM 866 NE2 GLN A 57 -5.542 10.509 2.158 1.00 14.82 N ANISOU 866 NE2 GLN A 57 1938 1895 1660 -41 863 163 N ATOM 867 H GLN A 57 -4.504 10.994 -2.438 1.00 10.24 H ATOM 868 HA GLN A 57 -2.165 10.208 -1.463 1.00 11.15 H ATOM 869 HB2 GLN A 57 -4.659 8.767 -1.317 1.00 12.14 H ATOM 870 HB3 GLN A 57 -3.378 8.399 -0.426 1.00 12.14 H ATOM 871 HG2 GLN A 57 -3.475 10.575 0.605 1.00 12.28 H ATOM 872 HG3 GLN A 57 -4.757 10.937 -0.280 1.00 12.28 H ATOM 873 HE21 GLN A 57 -6.063 10.258 2.821 1.00 17.79 H ATOM 874 HE22 GLN A 57 -5.265 11.343 2.108 1.00 17.79 H ATOM 875 N ARG A 58 -3.196 8.370 -3.890 1.00 10.09 N ANISOU 875 N ARG A 58 999 1469 1269 60 140 59 N ATOM 876 CA ARG A 58 -2.785 7.388 -4.864 1.00 10.83 C ANISOU 876 CA ARG A 58 1195 1443 1375 -54 167 -1 C ATOM 877 C ARG A 58 -1.704 7.910 -5.799 1.00 9.54 C ANISOU 877 C ARG A 58 972 1355 1210 29 45 -33 C ATOM 878 O ARG A 58 -0.762 7.177 -6.082 1.00 10.79 O ANISOU 878 O ARG A 58 1107 1522 1372 80 78 4 O ATOM 879 CB ARG A 58 -3.993 6.950 -5.716 1.00 13.02 C ANISOU 879 CB ARG A 58 1163 1822 1841 -263 181 -365 C ATOM 880 CG ARG A 58 -4.986 6.071 -4.918 0.50 12.40 C ANISOU 880 CG ARG A 58 1297 1421 1876 -127 259 -186 C ATOM 881 CD ARG A 58 -6.174 5.755 -5.842 0.30 15.44 C ANISOU 881 CD ARG A 58 1416 1813 2491 -555 125 -394 C ATOM 882 NE ARG A 58 -7.225 5.007 -5.161 0.30 20.81 N ANISOU 882 NE ARG A 58 1676 2628 3408 -797 465 -126 N ATOM 883 CZ ARG A 58 -8.406 4.719 -5.694 0.10 22.42 C ANISOU 883 CZ ARG A 58 2083 2519 3706 -1388 465 -831 C ATOM 884 NH1 ARG A 58 -8.698 5.117 -6.925 0.10 25.75 N ANISOU 884 NH1 ARG A 58 3721 2014 3806 279 -656 -1809 N ATOM 885 NH2 ARG A 58 -9.306 4.033 -5.002 0.10 27.39 N ANISOU 885 NH2 ARG A 58 2622 2042 5486 -1513 2676 -2743 N ATOM 886 H ARG A 58 -3.998 8.727 -3.949 1.00 12.10 H ATOM 887 HA ARG A 58 -2.429 6.589 -4.380 1.00 13.00 H ATOM 888 HB2 ARG A 58 -4.466 7.754 -6.048 1.00 15.63 H ATOM 889 HB3 ARG A 58 -3.670 6.442 -6.502 1.00 15.63 H ATOM 890 N VAL A 59 -1.809 9.124 -6.271 1.00 9.68 N ANISOU 890 N VAL A 59 1002 1491 1094 87 104 64 N ATOM 891 CA VAL A 59 -0.787 9.690 -7.148 1.00 9.69 C ANISOU 891 CA VAL A 59 1065 1449 1077 102 80 13 C ATOM 892 C VAL A 59 0.547 9.795 -6.426 1.00 8.90 C ANISOU 892 C VAL A 59 1043 1160 1096 64 135 57 C ATOM 893 O VAL A 59 1.601 9.495 -7.017 1.00 9.77 O ANISOU 893 O VAL A 59 1114 1466 1041 194 189 90 O ATOM 894 CB VAL A 59 -1.269 11.012 -7.769 1.00 11.54 C ANISOU 894 CB VAL A 59 1419 1633 1224 194 30 255 C ATOM 895 CG1AVAL A 59 -0.122 11.741 -8.422 0.54 17.17 C ANISOU 895 CG1AVAL A 59 1497 2514 2350 153 111 1240 C ATOM 896 CG1BVAL A 59 -0.992 12.277 -6.965 0.46 10.45 C ANISOU 896 CG1BVAL A 59 1485 1377 1010 440 275 347 C ATOM 897 CG2AVAL A 59 -2.390 10.711 -8.748 0.54 13.10 C ANISOU 897 CG2AVAL A 59 1286 2639 930 554 145 178 C ATOM 898 CG2BVAL A 59 -0.541 11.187 -9.106 0.46 11.47 C ANISOU 898 CG2BVAL A 59 1042 2199 1010 84 -73 51 C ATOM 899 H VAL A 59 -2.509 9.610 -6.056 1.00 11.61 H ATOM 900 HA VAL A 59 -0.660 9.045 -7.901 1.00 11.63 H ATOM 901 N VAL A 60 0.521 10.215 -5.173 1.00 8.82 N ANISOU 901 N VAL A 60 953 1287 1030 6 110 26 N ATOM 902 CA VAL A 60 1.760 10.318 -4.397 1.00 9.35 C ANISOU 902 CA VAL A 60 911 1339 1216 19 77 -67 C ATOM 903 C VAL A 60 2.392 8.955 -4.238 1.00 9.47 C ANISOU 903 C VAL A 60 1048 1576 884 162 85 -61 C ATOM 904 O VAL A 60 3.603 8.792 -4.399 1.00 9.78 O ANISOU 904 O VAL A 60 981 1604 1040 143 80 -7 O ATOM 905 CB VAL A 60 1.423 11.004 -3.042 1.00 11.17 C ANISOU 905 CB VAL A 60 1237 1513 1390 159 -194 -315 C ATOM 906 CG1 VAL A 60 2.609 10.807 -2.085 1.00 12.67 C ANISOU 906 CG1 VAL A 60 1268 2097 1329 58 -104 -152 C ATOM 907 CG2 VAL A 60 1.093 12.473 -3.231 1.00 12.60 C ANISOU 907 CG2 VAL A 60 1294 1466 1911 121 75 -273 C ATOM 908 H VAL A 60 -0.246 10.434 -4.801 1.00 10.59 H ATOM 909 HA VAL A 60 2.397 10.905 -4.897 1.00 11.23 H ATOM 910 HB VAL A 60 0.623 10.550 -2.649 1.00 13.41 H ATOM 911 HG11 VAL A 60 2.794 9.850 -1.987 1.00 19.00 H ATOM 912 HG12 VAL A 60 3.400 11.257 -2.448 1.00 19.00 H ATOM 913 HG13 VAL A 60 2.389 11.189 -1.210 1.00 19.00 H ATOM 914 HG21 VAL A 60 0.334 12.560 -3.845 1.00 18.90 H ATOM 915 HG22 VAL A 60 0.860 12.869 -2.365 1.00 18.90 H ATOM 916 HG23 VAL A 60 1.871 12.937 -3.604 1.00 18.90 H ATOM 917 N GLU A 61 1.566 7.924 -3.910 1.00 9.69 N ANISOU 917 N GLU A 61 1047 1422 1123 123 73 82 N ATOM 918 CA GLU A 61 2.108 6.596 -3.769 1.00 10.52 C ANISOU 918 CA GLU A 61 1260 1491 1147 89 100 48 C ATOM 919 C GLU A 61 2.692 6.072 -5.051 1.00 9.03 C ANISOU 919 C GLU A 61 987 1293 1065 38 27 165 C ATOM 920 O GLU A 61 3.742 5.407 -5.056 1.00 10.36 O ANISOU 920 O GLU A 61 1170 1456 1213 181 -12 136 O ATOM 921 CB GLU A 61 1.015 5.661 -3.224 1.00 12.51 C ANISOU 921 CB GLU A 61 1513 1589 1532 -21 460 140 C ATOM 922 CG AGLU A 61 1.456 4.219 -3.086 0.67 15.82 C ANISOU 922 CG AGLU A 61 1886 1558 2419 -10 208 254 C ATOM 923 CG BGLU A 61 1.027 5.659 -1.701 0.33 16.55 C ANISOU 923 CG BGLU A 61 3105 1495 1532 556 1091 10 C ATOM 924 CD AGLU A 61 2.646 4.050 -2.159 0.67 24.50 C ANISOU 924 CD AGLU A 61 3514 2606 2959 626 -954 459 C ATOM 925 CD BGLU A 61 -0.246 5.224 -1.023 0.33 19.27 C ANISOU 925 CD BGLU A 61 3363 2180 1599 46 817 836 C ATOM 926 OE1AGLU A 61 3.523 3.193 -2.464 0.67 40.16 O ANISOU 926 OE1AGLU A 61 6558 3031 5293 2980 -3789 -1437 O ATOM 927 OE1BGLU A 61 -1.104 4.570 -1.621 0.33 44.84 O ANISOU 927 OE1BGLU A 61 7538 3991 5088 -4352 1067 167 O ATOM 928 OE2AGLU A 61 2.798 4.797 -1.151 0.67 21.38 O ANISOU 928 OE2AGLU A 61 2589 2654 2678 287 -364 607 O ATOM 929 OE2BGLU A 61 -0.269 5.616 0.194 0.33 26.02 O ANISOU 929 OE2BGLU A 61 5438 2801 1403 2147 1579 1020 O ATOM 930 H GLU A 61 0.707 8.068 -3.784 1.00 11.63 H ATOM 931 HA GLU A 61 2.843 6.636 -3.091 1.00 12.62 H ATOM 932 N LYS A 62 2.045 6.324 -6.184 1.00 9.46 N ANISOU 932 N LYS A 62 997 1369 1138 41 93 87 N ATOM 933 CA LYS A 62 2.577 5.867 -7.451 1.00 9.24 C ANISOU 933 CA LYS A 62 1063 1186 1175 -19 20 -81 C ATOM 934 C LYS A 62 3.875 6.552 -7.788 1.00 8.51 C ANISOU 934 C LYS A 62 1037 1142 973 61 -4 -10 C ATOM 935 O LYS A 62 4.810 5.908 -8.291 1.00 9.53 O ANISOU 935 O LYS A 62 1164 1212 1154 58 93 -111 O ATOM 936 CB LYS A 62 1.543 6.081 -8.573 1.00 10.66 C ANISOU 936 CB LYS A 62 1298 1466 1187 -76 -76 -159 C ATOM 937 CG LYS A 62 0.328 5.188 -8.494 1.00 15.64 C ANISOU 937 CG LYS A 62 1578 2277 1941 -515 -224 -289 C ATOM 938 CD LYS A 62 -0.678 5.615 -9.555 1.00 23.45 C ANISOU 938 CD LYS A 62 2373 3193 3123 -656 -1205 465 C ATOM 939 CE LYS A 62 -2.013 4.914 -9.350 0.30 23.29 C ANISOU 939 CE LYS A 62 2260 2861 3510 -569 -1466 540 C ATOM 940 NZ LYS A 62 -2.843 4.892 -10.576 0.27 40.47 N ANISOU 940 NZ LYS A 62 5919 1740 7339 -1041 -5410 1370 N ATOM 941 H LYS A 62 1.288 6.772 -6.164 1.00 11.35 H ATOM 942 HA LYS A 62 2.755 4.886 -7.377 1.00 11.09 H ATOM 943 HB2 LYS A 62 1.244 7.024 -8.550 1.00 12.79 H ATOM 944 HB3 LYS A 62 1.989 5.931 -9.445 1.00 12.79 H ATOM 945 HG2 LYS A 62 0.593 4.246 -8.643 1.00 18.77 H ATOM 946 HG3 LYS A 62 -0.082 5.257 -7.596 1.00 18.77 H ATOM 947 HD2 LYS A 62 -0.810 6.595 -9.509 1.00 28.14 H ATOM 948 HD3 LYS A 62 -0.325 5.395 -10.453 1.00 28.14 H ATOM 949 N PHE A 63 3.979 7.839 -7.537 1.00 8.70 N ANISOU 949 N PHE A 63 976 1187 1059 31 -9 -52 N ATOM 950 CA PHE A 63 5.244 8.541 -7.728 1.00 8.12 C ANISOU 950 CA PHE A 63 924 1165 921 -8 85 -79 C ATOM 951 C PHE A 63 6.323 7.927 -6.852 1.00 8.75 C ANISOU 951 C PHE A 63 968 1226 1047 -3 23 2 C ATOM 952 O PHE A 63 7.438 7.685 -7.326 1.00 9.23 O ANISOU 952 O PHE A 63 979 1275 1168 149 163 84 O ATOM 953 CB PHE A 63 5.094 10.040 -7.417 1.00 8.44 C ANISOU 953 CB PHE A 63 928 1181 1017 93 158 -90 C ATOM 954 CG PHE A 63 6.425 10.726 -7.317 1.00 7.72 C ANISOU 954 CG PHE A 63 896 1078 888 86 53 -93 C ATOM 955 CD1 PHE A 63 7.183 10.928 -8.462 1.00 7.94 C ANISOU 955 CD1 PHE A 63 941 1232 769 -25 3 -15 C ATOM 956 CD2 PHE A 63 6.939 11.100 -6.102 1.00 8.53 C ANISOU 956 CD2 PHE A 63 1013 1297 852 188 66 -150 C ATOM 957 CE1 PHE A 63 8.423 11.483 -8.405 1.00 8.50 C ANISOU 957 CE1 PHE A 63 959 1225 967 49 63 -45 C ATOM 958 CE2 PHE A 63 8.196 11.677 -6.030 1.00 9.17 C ANISOU 958 CE2 PHE A 63 1051 1329 1017 125 -39 -413 C ATOM 959 CZ PHE A 63 8.949 11.874 -7.187 1.00 8.61 C ANISOU 959 CZ PHE A 63 1015 1163 1013 180 -74 -131 C ATOM 960 H PHE A 63 3.276 8.283 -7.250 1.00 10.44 H ATOM 961 HA PHE A 63 5.519 8.443 -8.684 1.00 9.75 H ATOM 962 HB2 PHE A 63 4.559 10.469 -8.131 1.00 10.12 H ATOM 963 HB3 PHE A 63 4.605 10.149 -6.563 1.00 10.12 H ATOM 964 HD1 PHE A 63 6.828 10.673 -9.305 1.00 9.53 H ATOM 965 HD2 PHE A 63 6.433 10.964 -5.310 1.00 10.24 H ATOM 966 HE1 PHE A 63 8.928 11.603 -9.201 1.00 10.20 H ATOM 967 HE2 PHE A 63 8.547 11.940 -5.187 1.00 11.00 H ATOM 968 HZ PHE A 63 9.811 12.271 -7.139 1.00 10.33 H ATOM 969 N LEU A 64 6.016 7.716 -5.585 1.00 8.95 N ANISOU 969 N LEU A 64 962 1395 958 64 34 -6 N ATOM 970 CA LEU A 64 7.024 7.158 -4.683 1.00 9.82 C ANISOU 970 CA LEU A 64 1086 1533 1020 78 -13 55 C ATOM 971 C LEU A 64 7.511 5.811 -5.158 1.00 10.71 C ANISOU 971 C LEU A 64 1252 1650 1067 221 47 138 C ATOM 972 O LEU A 64 8.733 5.528 -5.147 1.00 11.86 O ANISOU 972 O LEU A 64 1127 2112 1157 431 -2 222 O ATOM 973 CB ALEU A 64 6.399 7.232 -3.265 0.41 10.01 C ANISOU 973 CB ALEU A 64 979 1805 924 99 -116 -144 C ATOM 974 CB BLEU A 64 6.402 6.900 -3.282 0.59 11.60 C ANISOU 974 CB BLEU A 64 1795 1460 1042 75 167 151 C ATOM 975 CG ALEU A 64 7.232 6.584 -2.183 0.41 10.33 C ANISOU 975 CG ALEU A 64 1366 1422 1039 25 -39 158 C ATOM 976 CG BLEU A 64 6.314 8.157 -2.474 0.59 13.38 C ANISOU 976 CG BLEU A 64 1518 1890 1549 156 188 -311 C ATOM 977 CD1ALEU A 64 8.428 7.449 -1.827 0.41 14.73 C ANISOU 977 CD1ALEU A 64 1015 2922 1520 -255 -349 314 C ATOM 978 CD1BLEU A 64 5.625 7.626 -1.216 0.59 18.10 C ANISOU 978 CD1BLEU A 64 1698 3879 1131 60 106 -219 C ATOM 979 CD2ALEU A 64 6.366 6.363 -0.931 0.41 12.15 C ANISOU 979 CD2ALEU A 64 1471 1909 1122 67 42 263 C ATOM 980 CD2BLEU A 64 7.619 8.797 -2.119 0.59 15.08 C ANISOU 980 CD2BLEU A 64 1675 2192 1721 60 -337 -268 C ATOM 981 H LEU A 64 5.212 7.909 -5.285 1.00 10.74 H ATOM 982 HA ALEU A 64 7.808 7.778 -4.694 1.00 11.78 H ATOM 983 N LYS A 65 6.581 4.945 -5.601 1.00 10.40 N ANISOU 983 N LYS A 65 1178 1383 1291 231 51 108 N ATOM 984 CA LYS A 65 7.025 3.614 -6.052 1.00 11.88 C ANISOU 984 CA LYS A 65 1487 1492 1425 263 121 204 C ATOM 985 C LYS A 65 7.912 3.719 -7.253 1.00 10.78 C ANISOU 985 C LYS A 65 1375 1233 1388 175 9 28 C ATOM 986 O LYS A 65 8.935 3.015 -7.359 1.00 12.84 O ANISOU 986 O LYS A 65 1562 1594 1601 476 108 92 O ATOM 987 CB LYS A 65 5.788 2.758 -6.327 1.00 14.68 C ANISOU 987 CB LYS A 65 1689 1238 2512 -6 537 37 C ATOM 988 CG ALYS A 65 6.068 1.461 -7.121 0.58 21.18 C ANISOU 988 CG ALYS A 65 2744 2054 3050 -151 838 -803 C ATOM 989 CG BLYS A 65 4.964 2.410 -5.078 0.42 14.80 C ANISOU 989 CG BLYS A 65 1527 1718 2242 329 371 327 C ATOM 990 CD ALYS A 65 4.750 0.795 -7.500 0.58 30.12 C ANISOU 990 CD ALYS A 65 4731 4006 2425 -2362 629 -723 C ATOM 991 CD BLYS A 65 4.385 1.010 -5.113 0.42 27.72 C ANISOU 991 CD BLYS A 65 3629 2835 3807 -1398 1229 264 C ATOM 992 CE ALYS A 65 4.930 -0.628 -8.013 0.58 32.20 C ANISOU 992 CE ALYS A 65 4655 4237 3041 -2522 1095 -1156 C ATOM 993 CE BLYS A 65 2.989 0.837 -4.521 0.42 29.24 C ANISOU 993 CE BLYS A 65 2351 3239 5245 -565 216 1880 C ATOM 994 NZ ALYS A 65 3.905 -0.972 -9.024 0.58 49.30 N ANISOU 994 NZ ALYS A 65 6940 7236 4092 -4382 214 -2179 N ATOM 995 NZ BLYS A 65 1.988 0.471 -5.587 0.42 45.77 N ANISOU 995 NZ BLYS A 65 4130 4420 8411 -89 -2721 2458 N ATOM 996 H LYS A 65 5.730 5.167 -5.620 1.00 12.47 H ATOM 997 HA LYS A 65 7.546 3.187 -5.312 1.00 14.26 H ATOM 998 N ARG A 66 7.584 4.634 -8.188 1.00 10.16 N ANISOU 998 N ARG A 66 1187 1372 1205 107 19 -68 N ATOM 999 CA ARG A 66 8.421 4.776 -9.365 1.00 9.54 C ANISOU 999 CA ARG A 66 1192 1223 1122 81 -22 -195 C ATOM 1000 C ARG A 66 9.798 5.336 -8.984 1.00 9.27 C ANISOU 1000 C ARG A 66 1091 1319 1027 182 21 -122 C ATOM 1001 O ARG A 66 10.847 4.831 -9.424 1.00 10.47 O ANISOU 1001 O ARG A 66 1190 1500 1190 256 91 -296 O ATOM 1002 CB ARG A 66 7.769 5.719 -10.368 1.00 9.73 C ANISOU 1002 CB ARG A 66 1106 1312 1188 38 -130 -194 C ATOM 1003 CG ARG A 66 8.545 5.793 -11.663 1.00 10.31 C ANISOU 1003 CG ARG A 66 1424 1316 1080 175 -29 -259 C ATOM 1004 CD ARG A 66 8.000 6.789 -12.590 1.00 10.52 C ANISOU 1004 CD ARG A 66 1410 1317 1173 136 -31 -325 C ATOM 1005 NE ARG A 66 8.268 8.171 -12.210 1.00 10.01 N ANISOU 1005 NE ARG A 66 1134 1340 1235 116 -30 -287 N ATOM 1006 CZ ARG A 66 7.406 9.167 -12.043 1.00 9.07 C ANISOU 1006 CZ ARG A 66 1276 1243 844 135 45 -113 C ATOM 1007 NH1 ARG A 66 6.080 8.953 -12.040 1.00 10.85 N ANISOU 1007 NH1 ARG A 66 1192 1535 1294 132 -56 17 N ATOM 1008 NH2 ARG A 66 7.863 10.366 -11.842 1.00 9.61 N ANISOU 1008 NH2 ARG A 66 1335 1243 983 157 -20 -151 N ATOM 1009 H ARG A 66 6.871 5.139 -8.086 1.00 12.19 H ATOM 1010 HA ARG A 66 8.540 3.879 -9.791 1.00 11.45 H ATOM 1011 HB2 ARG A 66 6.849 5.407 -10.557 1.00 11.68 H ATOM 1012 HB3 ARG A 66 7.708 6.624 -9.972 1.00 11.68 H ATOM 1013 HG2 ARG A 66 9.487 6.020 -11.463 1.00 12.37 H ATOM 1014 HG3 ARG A 66 8.532 4.905 -12.099 1.00 12.37 H ATOM 1015 HD2 ARG A 66 8.381 6.627 -13.489 1.00 12.63 H ATOM 1016 HD3 ARG A 66 7.020 6.662 -12.652 1.00 12.63 H ATOM 1017 HE ARG A 66 9.114 8.371 -12.072 1.00 12.01 H ATOM 1018 HH11 ARG A 66 5.527 9.623 -11.903 1.00 13.02 H ATOM 1019 HH12 ARG A 66 5.765 8.142 -12.176 1.00 13.02 H ATOM 1020 HH21 ARG A 66 8.731 10.507 -11.818 1.00 11.53 H ATOM 1021 HH22 ARG A 66 7.305 11.036 -11.730 1.00 11.53 H ATOM 1022 N ALA A 67 9.842 6.363 -8.165 1.00 9.07 N ANISOU 1022 N ALA A 67 989 1264 1109 75 43 -203 N ATOM 1023 CA ALA A 67 11.074 6.976 -7.780 1.00 9.40 C ANISOU 1023 CA ALA A 67 989 1338 1157 132 31 -54 C ATOM 1024 C ALA A 67 11.974 6.020 -7.009 1.00 9.22 C ANISOU 1024 C ALA A 67 1129 1243 1046 62 13 -170 C ATOM 1025 O ALA A 67 13.195 6.076 -7.155 1.00 10.30 O ANISOU 1025 O ALA A 67 992 1415 1410 103 1 -115 O ATOM 1026 CB ALA A 67 10.811 8.233 -6.966 1.00 10.99 C ANISOU 1026 CB ALA A 67 1147 1218 1709 46 -66 -255 C ATOM 1027 H ALA A 67 9.088 6.683 -7.843 1.00 10.89 H ATOM 1028 HA ALA A 67 11.555 7.245 -8.614 1.00 11.28 H ATOM 1029 HB1 ALA A 67 11.665 8.640 -6.710 1.00 16.49 H ATOM 1030 HB2 ALA A 67 10.294 8.868 -7.504 1.00 16.49 H ATOM 1031 HB3 ALA A 67 10.306 8.000 -6.159 1.00 16.49 H ATOM 1032 N GLU A 68 11.374 5.211 -6.152 1.00 10.13 N ANISOU 1032 N GLU A 68 1050 1609 1095 213 -50 111 N ATOM 1033 CA GLU A 68 12.132 4.263 -5.360 1.00 14.41 C ANISOU 1033 CA GLU A 68 1510 2202 1627 316 38 656 C ATOM 1034 C GLU A 68 12.776 3.195 -6.251 1.00 16.47 C ANISOU 1034 C GLU A 68 1704 2042 2355 758 183 761 C ATOM 1035 O GLU A 68 13.794 2.621 -5.888 1.00 22.68 O ANISOU 1035 O GLU A 68 2021 3450 2932 1297 232 1147 O ATOM 1036 CB GLU A 68 11.212 3.622 -4.312 1.00 15.52 C ANISOU 1036 CB GLU A 68 1439 2262 2050 322 -70 1107 C ATOM 1037 CG GLU A 68 10.868 4.573 -3.164 1.00 18.83 C ANISOU 1037 CG GLU A 68 1483 3953 1541 252 10 813 C ATOM 1038 CD GLU A 68 9.723 4.143 -2.253 1.00 21.11 C ANISOU 1038 CD GLU A 68 1202 4601 2018 570 -131 1481 C ATOM 1039 OE1 GLU A 68 9.090 3.154 -2.574 1.00 24.57 O ANISOU 1039 OE1 GLU A 68 1723 3885 3498 384 -110 2290 O ATOM 1040 OE2 GLU A 68 9.481 4.840 -1.243 1.00 29.51 O ANISOU 1040 OE2 GLU A 68 1783 7751 1403 -34 -11 850 O ATOM 1041 N ASN A 69 12.213 2.957 -7.389 0.60 14.24 N ANISOU 1041 N ASN A 69 1258 1100 2920 455 96 -56 N ATOM 1042 CA ASN A 69 12.642 1.891 -8.278 0.60 21.47 C ANISOU 1042 CA ASN A 69 2260 1620 4078 725 286 -673 C ATOM 1043 C ASN A 69 13.483 2.429 -9.431 0.60 19.95 C ANISOU 1043 C ASN A 69 2438 2182 2771 1463 -159 -702 C ATOM 1044 O ASN A 69 13.904 1.641 -10.270 0.60 31.02 O ANISOU 1044 O ASN A 69 3864 3458 4172 1990 622 -1563 O ATOM 1045 CB ASN A 69 11.415 1.104 -8.733 0.60 30.58 C ANISOU 1045 CB ASN A 69 2639 1554 7141 720 28 -2000 C ATOM 1046 CG ASN A 69 10.869 0.255 -7.573 0.60 39.88 C ANISOU 1046 CG ASN A 69 2851 1069 10858 508 639 66 C ATOM 1047 OD1 ASN A 69 11.536 -0.652 -7.068 0.60 51.98 O ANISOU 1047 OD1 ASN A 69 2572 2877 13813 621 486 2029 O ATOM 1048 ND2 ASN A 69 9.632 0.500 -7.076 0.60 42.43 N ANISOU 1048 ND2 ASN A 69 2986 1419 11317 640 1049 1364 N ATOM 1049 N SER A 70 13.941 3.644 -9.219 0.60 18.80 N ANISOU 1049 N SER A 70 2637 2522 1809 993 611 -136 N ATOM 1050 CA SER A 70 14.998 4.393 -9.836 0.60 34.59 C ANISOU 1050 CA SER A 70 4811 3631 4376 225 2799 -422 C ATOM 1051 C SER A 70 14.587 5.742 -10.396 0.60 34.81 C ANISOU 1051 C SER A 70 5641 3468 3791 -886 2236 -8 C ATOM 1052 O SER A 70 15.434 6.640 -10.357 0.60 49.00 O ANISOU 1052 O SER A 70 10619 5412 2125 -4147 -2424 918 O ATOM 1053 CB SER A 70 15.818 3.571 -10.817 0.60 46.65 C ANISOU 1053 CB SER A 70 4096 5786 7406 -229 3885 -2147 C ATOM 1054 OG SER A 70 16.812 2.848 -10.103 0.60 58.56 O ANISOU 1054 OG SER A 70 2431 4653 14616 -771 -789 -4000 O ATOM 1055 OXT SER A 70 13.471 5.992 -10.820 0.60 38.61 O ANISOU 1055 OXT SER A 70 7283 3450 3574 -671 263 -290 O TER 1056 SER A 70 HETATM 1057 O HOH A 101 -8.605 22.032 -16.618 0.53 15.00 O ANISOU 1057 O HOH A 101 2484 1758 1318 234 -27 -42 O HETATM 1058 O HOH A 102 9.489 22.805 2.793 0.37 13.85 O ANISOU 1058 O HOH A 102 1426 2244 1461 473 -218 -291 O HETATM 1059 O HOH A 103 12.533 6.441 -11.321 0.30 13.85 O ANISOU 1059 O HOH A 103 911 1806 2417 510 -191 -691 O HETATM 1060 O HOH A 104 8.849 22.001 -2.231 0.63 23.77 O ANISOU 1060 O HOH A 104 2478 3519 2810 248 443 -680 O HETATM 1061 O HOH A 105 -8.426 23.727 -5.046 0.40 21.81 O ANISOU 1061 O HOH A 105 1433 4253 2394 -574 598 -1774 O HETATM 1062 O HOH A 106 0.687 6.818 -19.531 0.50 32.97 O ANISOU 1062 O HOH A 106 4926 4652 2639 593 -951 -1 O HETATM 1063 O HOH A 107 8.219 20.545 -3.577 0.37 23.42 O ANISOU 1063 O HOH A 107 3013 4302 1365 979 643 209 O HETATM 1064 O HOH A 108 -8.972 7.783 -6.442 0.50 25.34 O ANISOU 1064 O HOH A 108 3862 2751 2777 -1273 -381 -303 O HETATM 1065 O HOH A 109 -5.882 23.383 -15.027 1.00 23.22 O ANISOU 1065 O HOH A 109 4129 2695 1781 151 -528 282 O HETATM 1066 O HOH A 110 7.208 25.930 -1.225 0.50 30.00 O ANISOU 1066 O HOH A 110 6043 3226 1849 1422 338 -380 O HETATM 1067 O BHOH A 111 7.491 4.319 0.277 0.59 18.34 O ANISOU 1067 O BHOH A 111 1163 4280 1354 -12 -58 839 O HETATM 1068 O HOH A 112 10.730 24.131 6.103 0.40 12.38 O ANISOU 1068 O HOH A 112 1343 1481 1763 291 -388 -248 O HETATM 1069 O HOH A 113 -3.256 7.346 -9.850 0.40 48.21 O ANISOU 1069 O HOH A 113 7796 2289 7781 2358 2408 -672 O HETATM 1070 O HOH A 114 -1.974 6.512 -12.442 0.30 29.33 O ANISOU 1070 O HOH A 114 2492 3558 4820 263 -761 2914 O HETATM 1071 O AHOH A 115 10.469 19.699 -2.604 0.37 17.26 O ANISOU 1071 O AHOH A 115 2242 2372 1780 923 755 555 O HETATM 1072 O HOH A 116 -8.376 21.547 -4.381 1.00 24.81 O ANISOU 1072 O HOH A 116 2319 3150 3724 -472 -740 -169 O HETATM 1073 O HOH A 117 9.095 25.538 13.482 1.00 14.71 O ANISOU 1073 O HOH A 117 2703 1673 1074 -234 -20 -121 O HETATM 1074 O HOH A 118 -5.777 19.324 -15.420 1.00 20.30 O ANISOU 1074 O HOH A 118 3438 2253 1830 -115 -1177 262 O HETATM 1075 O HOH A 119 -10.544 18.455 1.940 1.00 34.48 O ANISOU 1075 O HOH A 119 3784 5507 3488 1493 2044 789 O HETATM 1076 O HOH A 120 7.496 27.938 -0.223 0.36 25.35 O ANISOU 1076 O HOH A 120 2803 4598 1993 -12 615 1357 O HETATM 1077 O HOH A 121 2.123 29.784 10.907 0.50 15.51 O ANISOU 1077 O HOH A 121 2602 1801 1345 505 90 71 O HETATM 1078 O HOH A 122 -6.989 22.526 -0.103 0.50 32.61 O ANISOU 1078 O HOH A 122 1942 8340 1803 731 848 -1121 O HETATM 1079 O HOH A 123 -2.073 24.376 3.191 0.50 15.67 O ANISOU 1079 O HOH A 123 1404 1552 2850 150 -253 30 O HETATM 1080 O HOH A 124 4.856 22.464 -19.666 1.00 13.29 O ANISOU 1080 O HOH A 124 1078 2478 1369 -207 -165 315 O HETATM 1081 O HOH A 125 0.474 25.961 -14.288 0.30 31.59 O ANISOU 1081 O HOH A 125 1508 3768 6428 1246 -1684 -2632 O HETATM 1082 O HOH A 126 3.785 23.777 5.879 1.00 10.15 O ANISOU 1082 O HOH A 126 1322 1331 1108 105 -121 -19 O HETATM 1083 O HOH A 127 -9.781 17.089 -6.237 1.00 13.44 O ANISOU 1083 O HOH A 127 1371 1988 1621 98 178 184 O HETATM 1084 O HOH A 128 15.512 24.707 11.480 1.00 42.71 O ANISOU 1084 O HOH A 128 3146 5693 7358 676 -947 1768 O HETATM 1085 O HOH A 129 9.872 22.324 10.822 0.50 12.78 O ANISOU 1085 O HOH A 129 1204 1522 2009 409 -453 3 O HETATM 1086 O HOH A 130 -10.217 18.480 -2.125 1.00 16.64 O ANISOU 1086 O HOH A 130 1687 2809 1670 498 59 -14 O HETATM 1087 O HOH A 131 -9.052 10.752 3.211 0.50 26.29 O ANISOU 1087 O HOH A 131 2409 3653 3681 557 921 2364 O HETATM 1088 O HOH A 132 -1.991 25.199 4.182 0.50 14.72 O ANISOU 1088 O HOH A 132 1924 1373 2158 147 118 -142 O HETATM 1089 O BHOH A 133 1.176 31.427 4.691 0.46 22.62 O ANISOU 1089 O BHOH A 133 1932 2839 3611 1098 -999 -1321 O HETATM 1090 O HOH A 134 -11.761 17.895 -10.010 1.00 24.57 O ANISOU 1090 O HOH A 134 1454 5006 2646 -169 -405 -1225 O HETATM 1091 O HOH A 135 12.654 22.237 13.170 1.00 18.95 O ANISOU 1091 O HOH A 135 2124 1516 3383 61 -407 -18 O HETATM 1092 O HOH A 136 -1.084 20.754 0.240 1.00 10.37 O ANISOU 1092 O HOH A 136 1041 1724 1079 430 -133 -8 O HETATM 1093 O HOH A 137 8.584 23.329 6.065 0.50 21.91 O ANISOU 1093 O HOH A 137 3292 1926 2901 216 268 654 O HETATM 1094 O AHOH A 138 4.194 9.044 -21.264 0.40 40.39 O ANISOU 1094 O AHOH A 138 3632 6311 5765 -1812 1318 -3714 O HETATM 1095 O HOH A 139 -5.414 16.750 -15.342 1.00 12.22 O ANISOU 1095 O HOH A 139 1220 2109 1199 -88 -120 353 O HETATM 1096 O HOH A 140 -0.264 27.539 -3.360 1.00 26.75 O ANISOU 1096 O HOH A 140 4259 4177 1475 2174 444 379 O HETATM 1097 O HOH A 141 2.468 21.642 7.144 1.00 8.63 O ANISOU 1097 O HOH A 141 1191 1087 919 205 -17 -136 O HETATM 1098 O HOH A 142 5.436 27.025 -9.796 0.50 29.13 O ANISOU 1098 O HOH A 142 6399 743 3653 -112 3346 -14 O HETATM 1099 O HOH A 143 6.232 19.235 9.952 1.00 10.28 O ANISOU 1099 O HOH A 143 1379 1338 1092 364 -135 -216 O HETATM 1100 O HOH A 144 4.448 3.671 -9.879 1.00 24.85 O ANISOU 1100 O HOH A 144 2787 3082 3341 -403 239 -1774 O HETATM 1101 O HOH A 145 -2.000 29.536 3.339 0.50 23.04 O ANISOU 1101 O HOH A 145 4334 1919 2285 1108 1346 -184 O HETATM 1102 O HOH A 146 -2.538 27.988 3.773 0.50 25.78 O ANISOU 1102 O HOH A 146 3339 2601 3612 436 -1937 -157 O HETATM 1103 O HOH A 147 -5.845 18.489 -4.391 1.00 10.89 O ANISOU 1103 O HOH A 147 1230 1847 960 142 -59 92 O HETATM 1104 O HOH A 148 6.363 26.013 -17.349 0.50 26.31 O ANISOU 1104 O HOH A 148 2512 2937 4302 -1093 -1720 2028 O HETATM 1105 O HOH A 149 -10.195 11.514 -4.620 1.00 14.20 O ANISOU 1105 O HOH A 149 1055 2466 1740 41 189 332 O HETATM 1106 O HOH A 150 -6.814 19.316 3.455 1.00 33.45 O ANISOU 1106 O HOH A 150 5566 5216 1613 1353 576 -383 O HETATM 1107 O HOH A 151 -2.750 21.443 2.420 1.00 15.72 O ANISOU 1107 O HOH A 151 1813 2482 1530 692 -75 -302 O HETATM 1108 O HOH A 152 5.091 18.472 12.351 1.00 14.03 O ANISOU 1108 O HOH A 152 1490 2528 1182 518 -93 -509 O HETATM 1109 O HOH A 153 -11.211 11.063 -1.426 1.00 16.23 O ANISOU 1109 O HOH A 153 1074 3183 1758 -91 295 247 O HETATM 1110 O HOH A 154 4.360 6.712 -12.125 0.30 21.83 O ANISOU 1110 O HOH A 154 1013 1724 5350 -90 877 132 O HETATM 1111 O HOH A 155 0.464 28.981 10.512 0.50 9.98 O ANISOU 1111 O HOH A 155 1634 1112 954 481 -50 57 O HETATM 1112 O HOH A 156 -4.774 10.880 -10.791 0.50 19.07 O ANISOU 1112 O HOH A 156 2218 2890 1960 -1116 173 402 O HETATM 1113 O BHOH A 157 -4.740 9.176 -8.609 0.46 12.77 O ANISOU 1113 O BHOH A 157 2115 1492 1124 -145 367 -59 O HETATM 1114 O HOH A 158 6.234 24.892 6.090 1.00 12.13 O ANISOU 1114 O HOH A 158 1544 1588 1363 177 18 -6 O HETATM 1115 O HOH A 159 0.515 28.842 13.343 0.50 20.01 O ANISOU 1115 O HOH A 159 1979 3763 1672 1338 -231 233 O HETATM 1116 O HOH A 160 6.920 23.769 13.439 1.00 12.89 O ANISOU 1116 O HOH A 160 1736 1922 1120 132 -153 -13 O HETATM 1117 O HOH A 161 -3.960 18.436 7.175 0.70 21.43 O ANISOU 1117 O HOH A 161 1208 2087 4649 -482 1065 -775 O HETATM 1118 O HOH A 162 1.161 30.619 1.804 1.00 25.79 O ANISOU 1118 O HOH A 162 3902 2809 2848 1327 -177 423 O HETATM 1119 O HOH A 163 -3.778 9.708 -11.842 0.40 30.20 O ANISOU 1119 O HOH A 163 3655 3205 4329 -1506 342 808 O HETATM 1120 O HOH A 164 -1.373 24.745 -5.744 1.00 15.82 O ANISOU 1120 O HOH A 164 2146 1617 2099 845 95 222 O HETATM 1121 O HOH A 165 -8.233 7.622 0.866 1.00 38.89 O ANISOU 1121 O HOH A 165 5276 5753 3385 -1719 -1109 1022 O HETATM 1122 O HOH A 166 5.089 29.648 -0.540 0.50 37.50 O ANISOU 1122 O HOH A 166 4379 3895 5624 -530 1775 2563 O HETATM 1123 O HOH A 167 -1.377 23.771 -14.614 0.30 15.84 O ANISOU 1123 O HOH A 167 1193 2470 2208 -446 180 -1426 O HETATM 1124 O HOH A 168 -4.047 18.710 5.073 0.30 20.01 O ANISOU 1124 O HOH A 168 1314 4499 1601 423 -23 -1270 O HETATM 1125 O HOH A 169 -7.656 23.555 -9.053 1.00 22.02 O ANISOU 1125 O HOH A 169 2727 2557 2877 1018 -825 -223 O HETATM 1126 O HOH A 170 -1.238 4.320 -5.699 0.50 20.39 O ANISOU 1126 O HOH A 170 2144 1666 3746 301 353 -917 O HETATM 1127 O HOH A 171 4.425 6.969 -13.417 0.70 27.60 O ANISOU 1127 O HOH A 171 1820 2334 6075 -562 -58 -1122 O HETATM 1128 O HOH A 172 8.349 13.852 -13.918 0.75 16.79 O ANISOU 1128 O HOH A 172 1993 2733 1497 -809 -48 126 O HETATM 1129 O HOH A 173 7.437 31.827 7.586 1.00 30.91 O ANISOU 1129 O HOH A 173 2393 2160 6901 -377 -1293 253 O HETATM 1130 O HOH A 174 4.720 26.785 -2.317 0.50 33.57 O ANISOU 1130 O HOH A 174 4016 4769 3655 2302 1427 2064 O HETATM 1131 O HOH A 175 -7.798 25.159 -3.075 1.00 25.96 O ANISOU 1131 O HOH A 175 1853 4019 3748 967 149 -462 O HETATM 1132 O HOH A 176 5.622 30.244 3.697 0.38 11.75 O ANISOU 1132 O HOH A 176 1730 1552 1073 -341 112 57 O HETATM 1133 O HOH A 177 0.625 29.186 13.394 0.50 32.15 O ANISOU 1133 O HOH A 177 9769 1110 1036 1405 1923 220 O HETATM 1134 O HOH A 178 8.441 19.665 -4.257 0.63 25.60 O ANISOU 1134 O HOH A 178 2367 5573 1548 524 781 276 O HETATM 1135 O HOH A 179 -11.459 14.999 -6.217 0.33 22.85 O ANISOU 1135 O HOH A 179 2730 4486 1253 -1364 -214 247 O HETATM 1136 O AHOH A 180 13.125 21.528 -5.849 0.57 18.79 O ANISOU 1136 O AHOH A 180 2222 2190 2552 108 -69 157 O HETATM 1137 O HOH A 181 8.647 24.676 7.509 0.50 15.94 O ANISOU 1137 O HOH A 181 1458 2261 2189 374 -481 -195 O HETATM 1138 O HOH A 182 -9.582 24.839 -15.334 1.00 25.47 O ANISOU 1138 O HOH A 182 2352 4750 2334 570 191 -488 O HETATM 1139 O HOH A 183 -6.979 23.480 9.820 0.50 36.96 O ANISOU 1139 O HOH A 183 3663 4746 5287 -600 -645 -2770 O HETATM 1140 O HOH A 184 7.934 0.372 -3.357 0.29 22.38 O ANISOU 1140 O HOH A 184 1969 2821 3504 485 -1587 -780 O HETATM 1141 O HOH A 185 -5.917 25.483 -8.050 1.00 30.69 O ANISOU 1141 O HOH A 185 3715 2635 5022 503 -1102 -414 O HETATM 1142 O HOH A 186 -2.412 6.769 -13.210 0.30 27.52 O ANISOU 1142 O HOH A 186 2140 3453 4603 677 -299 2434 O HETATM 1143 O AHOH A 187 12.002 21.359 0.179 0.20 24.96 O ANISOU 1143 O AHOH A 187 5284 1464 2500 1555 -1683 -1692 O HETATM 1144 O HOH A 188 7.145 32.374 4.750 0.50 33.13 O ANISOU 1144 O HOH A 188 5930 3045 3303 217 -159 -656 O HETATM 1145 O HOH A 189 -1.135 23.234 -13.315 0.30 20.83 O ANISOU 1145 O HOH A 189 2767 2629 2325 -996 316 33 O HETATM 1146 O HOH A 190 -12.120 24.288 -14.383 1.00 18.88 O ANISOU 1146 O HOH A 190 2144 2836 2016 -201 -258 -604 O HETATM 1147 O HOH A 191 8.746 24.203 8.883 0.50 22.37 O ANISOU 1147 O HOH A 191 4089 1491 2710 369 -1573 224 O HETATM 1148 O HOH A 192 2.999 25.977 -4.868 0.50 34.82 O ANISOU 1148 O HOH A 192 5369 3877 3658 1144 2002 1304 O HETATM 1149 O HOH A 193 -7.389 8.037 -8.555 0.46 18.72 O ANISOU 1149 O HOH A 193 3291 1891 1754 -592 -118 139 O HETATM 1150 O HOH A 194 -3.114 24.963 -7.894 1.00 21.54 O ANISOU 1150 O HOH A 194 3433 2245 2305 97 -586 -628 O HETATM 1151 O HOH A 195 14.705 22.439 7.284 0.19 14.60 O ANISOU 1151 O HOH A 195 2491 1429 1490 -18 387 -141 O HETATM 1152 O HOH A 196 -5.511 25.539 0.399 0.50 45.50 O ANISOU 1152 O HOH A 196 9307 3358 4195 1514 3182 1456 O HETATM 1153 O HOH A 197 -5.369 21.031 1.959 1.00 24.67 O ANISOU 1153 O HOH A 197 2286 3596 3260 355 -94 365 O HETATM 1154 O HOH A 198 -1.593 22.488 -13.410 0.30 19.89 O ANISOU 1154 O HOH A 198 1682 2355 3334 -249 -704 128 O HETATM 1155 O HOH A 199 -12.086 13.460 -6.987 0.33 28.88 O ANISOU 1155 O HOH A 199 2781 5612 2309 -1402 -1335 273 O HETATM 1156 O HOH A 200 -5.001 10.582 -14.808 1.00 58.50 O ANISOU 1156 O HOH A 200 8386 8769 4522 -5976 -449 1479 O HETATM 1157 O HOH A 201 16.330 21.811 9.369 0.32 25.24 O ANISOU 1157 O HOH A 201 3909 2647 2797 948 653 1989 O HETATM 1158 O HOH A 202 4.267 34.233 9.751 0.30 28.81 O ANISOU 1158 O HOH A 202 6430 2938 1309 -981 -1273 394 O HETATM 1159 O HOH A 203 0.244 26.627 -5.948 1.00 43.96 O ANISOU 1159 O HOH A 203 6433 4643 5214 -2488 266 -1076 O HETATM 1160 O HOH A 204 -3.217 7.977 -13.019 0.50 34.02 O ANISOU 1160 O HOH A 204 2186 4784 5638 -557 737 459 O HETATM 1161 O HOH A 205 8.617 21.750 10.179 0.50 25.26 O ANISOU 1161 O HOH A 205 1637 4965 2758 571 -583 908 O HETATM 1162 O HOH A 206 -0.648 29.488 10.191 0.50 17.50 O ANISOU 1162 O HOH A 206 2877 1954 1655 232 39 150 O HETATM 1163 O HOH A 207 6.635 7.882 -15.881 1.00 33.88 O ANISOU 1163 O HOH A 207 5087 3161 4307 379 -1598 -572 O HETATM 1164 O HOH A 208 9.708 22.065 8.101 0.50 25.51 O ANISOU 1164 O HOH A 208 2001 3599 3852 1598 -1297 -2284 O HETATM 1165 O HOH A 209 -3.393 27.990 5.369 0.50 26.45 O ANISOU 1165 O HOH A 209 3244 3218 3338 -156 -1870 932 O HETATM 1166 O HOH A 210 -12.304 15.982 -6.883 0.33 20.97 O ANISOU 1166 O HOH A 210 1231 4602 1940 -577 -303 -574 O HETATM 1167 O HOH A 211 6.063 2.359 -11.208 1.00 62.77 O ANISOU 1167 O HOH A 211 5119 9858 8283 2482 1607 -3030 O HETATM 1168 O HOH A 212 -8.674 18.832 -4.307 1.00 14.70 O ANISOU 1168 O HOH A 212 1300 2702 1445 120 -83 274 O HETATM 1169 O HOH A 213 8.454 22.426 8.961 0.50 22.67 O ANISOU 1169 O HOH A 213 2165 3433 2804 1184 -1094 -1614 O HETATM 1170 O HOH A 214 4.391 6.738 -15.279 0.30 18.44 O ANISOU 1170 O HOH A 214 2596 1325 2913 -48 -970 -7 O HETATM 1171 O HOH A 215 -4.470 7.199 -13.674 0.30 33.60 O ANISOU 1171 O HOH A 215 3520 3767 5165 -492 -340 2582 O HETATM 1172 O HOH A 216 -12.505 15.548 -9.772 0.33 15.83 O ANISOU 1172 O HOH A 216 1423 2068 2374 -526 -420 348 O HETATM 1173 O HOH A 217 -12.019 14.642 -8.834 0.33 19.82 O ANISOU 1173 O HOH A 217 1622 2811 2912 -97 724 56 O HETATM 1174 O HOH A 218 -6.532 10.342 -13.112 1.00 58.86 O ANISOU 1174 O HOH A 218 3464 5943 12402 -600 -3162 114 O HETATM 1175 O HOH A 219 5.023 28.054 -16.589 0.50 44.19 O ANISOU 1175 O HOH A 219 7405 2636 6334 -2262 -2444 1848 O HETATM 1176 O HOH A 220 7.980 5.353 -15.791 0.50 48.89 O ANISOU 1176 O HOH A 220 8965 6844 2310 1248 -1953 -762 O HETATM 1177 O HOH A 221 -12.558 9.817 -3.659 0.17 21.80 O ANISOU 1177 O HOH A 221 1366 1764 4949 -421 -1330 2176 O HETATM 1178 O HOH A 222 5.402 33.133 10.285 0.30 26.55 O ANISOU 1178 O HOH A 222 5146 2579 2113 377 169 -63 O HETATM 1179 O HOH A 223 -4.150 25.428 -15.964 0.50 42.70 O ANISOU 1179 O HOH A 223 12007 2789 1029 418 745 -547 O HETATM 1180 O HOH A 224 -12.852 14.613 -7.818 0.33 22.58 O ANISOU 1180 O HOH A 224 999 5232 2135 -671 0 -425 O HETATM 1181 O HOH A 225 3.326 32.372 11.147 0.30 13.76 O ANISOU 1181 O HOH A 225 2769 1783 546 870 213 108 O HETATM 1182 O HOH A 226 -8.763 10.327 -12.216 0.50 27.80 O ANISOU 1182 O HOH A 226 4028 2576 3700 372 -1950 -212 O HETATM 1183 O HOH A 227 -10.536 10.792 -9.410 0.50 30.94 O ANISOU 1183 O HOH A 227 4621 4227 2617 -2432 -1109 1495 O HETATM 1184 O HOH A 228 5.076 33.394 11.528 0.30 19.13 O ANISOU 1184 O HOH A 228 3303 2511 1276 631 901 487 O HETATM 1185 O HOH A 229 3.860 32.958 11.743 0.30 14.24 O ANISOU 1185 O HOH A 229 1635 2892 749 770 430 444 O HETATM 1186 O HOH A 230 6.455 35.859 11.582 0.30 32.13 O ANISOU 1186 O HOH A 230 4678 3445 3783 -2281 -2355 2001 O HETATM 1187 O HOH A 231 -13.534 10.884 -8.058 1.00 32.23 O ANISOU 1187 O HOH A 231 2833 4778 4331 261 -555 473 O CONECT 64 484 CONECT 91 724 CONECT 484 64 CONECT 724 91 MASTER 225 0 0 2 3 0 0 6 708 1 4 6 END If you find results from 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