Mercurial > repos > chemteam > md_converter
view test-data/str2.pdb @ 9:ba83f0923369 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/mdfileconverter commit a6a1b0dc37ce54aae5e88dba50a1b8056739f443"
| author | chemteam |
|---|---|
| date | Wed, 14 Jul 2021 11:15:09 +0000 |
| parents | acce5039ece7 |
| children |
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TITLE VILLIN REMARK THIS IS A SIMULATION BOX CRYST1 32.155 32.155 56.863 90.00 90.00 120.00 P 1 1 MODEL 1 ATOM 1 N LEU 42 -7.400 9.810 7.910 1.00 0.00 ATOM 2 CA LEU 42 -6.430 9.300 6.990 1.00 0.00 ATOM 3 C LEU 42 -5.000 9.530 7.460 1.00 0.00 ATOM 4 O LEU 42 -4.810 10.440 8.270 1.00 0.00 ATOM 5 CB LEU 42 -6.590 10.070 5.640 1.00 0.00 ATOM 6 CG LEU 42 -7.880 9.860 4.870 1.00 0.00 ATOM 7 CD1 LEU 42 -7.950 10.790 3.650 1.00 0.00 ATOM 8 CD2 LEU 42 -7.970 8.420 4.420 1.00 0.00 ATOM 9 H1 LEU 42 -8.220 9.660 7.600 1.00 0.00 ATOM 10 H2 LEU 42 -7.270 10.690 8.020 1.00 0.00 ATOM 11 H3 LEU 42 -7.300 9.400 8.700 1.00 0.00 ATOM 12 HA LEU 42 -6.580 8.340 6.850 1.00 0.00 ATOM 13 HB2 LEU 42 -6.500 11.010 5.820 1.00 0.00 ATOM 14 HB3 LEU 42 -5.860 9.810 5.060 1.00 0.00 ATOM 15 HG LEU 42 -8.640 10.060 5.460 1.00 0.00 ATOM 16 1HD1 LEU 42 -7.900 11.700 3.940 1.00 0.00 ATOM 17 2HD1 LEU 42 -8.780 10.650 3.190 1.00 0.00 ATOM 18 3HD1 LEU 42 -7.220 10.600 3.060 1.00 0.00 ATOM 19 1HD2 LEU 42 -8.790 8.280 3.940 1.00 0.00 ATOM 20 2HD2 LEU 42 -7.950 7.840 5.190 1.00 0.00 ATOM 21 3HD2 LEU 42 -7.230 8.220 3.850 1.00 0.00 ATOM 22 N SER 43 -4.030 8.810 6.990 1.00 0.00 ATOM 23 CA SER 43 -2.630 9.120 7.220 1.00 0.00 ATOM 24 C SER 43 -2.330 10.450 6.540 1.00 0.00 ATOM 25 O SER 43 -3.050 10.930 5.650 1.00 0.00 ATOM 26 CB SER 43 -1.730 8.020 6.640 1.00 0.00 ATOM 27 OG SER 43 -1.810 8.070 5.250 1.00 0.00 ATOM 28 H SER 43 -4.230 8.120 6.520 1.00 0.00 ATOM 29 HA SER 43 -2.470 9.200 8.180 1.00 0.00 ATOM 30 HB2 SER 43 -0.810 8.160 6.930 1.00 0.00 ATOM 31 HB3 SER 43 -2.020 7.150 6.960 1.00 0.00 ATOM 32 HG SER 43 -1.330 7.490 4.930 1.00 0.00 ATOM 33 N ASP 44 -1.210 11.030 6.950 1.00 0.00 ATOM 34 CA ASP 44 -0.810 12.310 6.400 1.00 0.00 ATOM 35 C ASP 44 -0.480 12.120 4.920 1.00 0.00 ATOM 36 O ASP 44 -0.730 12.990 4.100 1.00 0.00 ATOM 37 CB ASP 44 0.290 13.000 7.190 1.00 0.00 ATOM 38 CG ASP 44 -0.160 13.580 8.530 1.00 0.00 ATOM 39 OD1 ASP 44 -1.380 13.540 8.740 1.00 0.00 ATOM 40 OD2 ASP 44 0.740 14.010 9.280 1.00 0.00 ATOM 41 H ASP 44 -0.720 10.640 7.540 1.00 0.00 ATOM 42 HA ASP 44 -1.600 12.900 6.440 1.00 0.00 ATOM 43 HB2 ASP 44 1.000 12.360 7.360 1.00 0.00 ATOM 44 HB3 ASP 44 0.660 13.720 6.650 1.00 0.00 ATOM 45 N GLU 45 0.100 10.940 4.610 1.00 0.00 ATOM 46 CA GLU 45 0.380 10.650 3.220 1.00 0.00 ATOM 47 C GLU 45 -0.890 10.540 2.380 1.00 0.00 ATOM 48 O GLU 45 -0.970 11.060 1.260 1.00 0.00 ATOM 49 CB GLU 45 1.250 9.380 3.100 1.00 0.00 ATOM 50 CB GLU 45 1.180 9.320 3.160 1.00 0.00 ATOM 51 CG GLU 45 2.730 9.690 3.270 1.00 0.00 ATOM 52 CG GLU 45 2.480 9.340 3.890 1.00 0.00 ATOM 53 CD GLU 45 3.280 10.600 2.200 1.00 0.00 ATOM 54 CD GLU 45 2.600 9.190 5.370 1.00 0.00 ATOM 55 OE1 GLU 45 3.360 10.200 1.010 1.00 0.00 ATOM 56 OE1 GLU 45 3.810 9.110 5.770 1.00 0.00 ATOM 57 OE2 GLU 45 3.670 11.750 2.510 1.00 0.00 ATOM 58 OE2 GLU 45 1.630 9.150 6.150 1.00 0.00 ATOM 59 H GLU 45 0.300 10.380 5.220 1.00 0.00 ATOM 60 HA GLU 45 0.900 11.400 2.860 1.00 0.00 ATOM 61 HB2 GLU 45 0.980 8.740 3.770 1.00 0.00 ATOM 62 HB2 GLU 45 0.630 8.610 3.540 1.00 0.00 ATOM 63 HB3 GLU 45 1.110 8.970 2.230 1.00 0.00 ATOM 64 HB3 GLU 45 1.340 9.090 2.230 1.00 0.00 ATOM 65 HG2 GLU 45 2.870 10.100 4.140 1.00 0.00 ATOM 66 HG2 GLU 45 3.020 8.630 3.490 1.00 0.00 ATOM 67 HG3 GLU 45 3.230 8.860 3.260 1.00 0.00 ATOM 68 HG3 GLU 45 2.910 10.180 3.660 1.00 0.00 ATOM 69 N ASP 46 -1.900 9.800 2.870 1.00 0.00 ATOM 70 CA ASP 46 -3.140 9.710 2.170 1.00 0.00 ATOM 71 C ASP 46 -3.810 11.070 2.040 1.00 0.00 ATOM 72 O ASP 46 -4.430 11.340 1.010 1.00 0.00 ATOM 73 CB ASP 46 -4.090 8.710 2.780 1.00 0.00 ATOM 74 CG ASP 46 -3.760 7.250 2.650 1.00 0.00 ATOM 75 OD1 ASP 46 -2.760 6.960 1.950 1.00 0.00 ATOM 76 OD2 ASP 46 -4.460 6.360 3.210 1.00 0.00 ATOM 77 H ASP 46 -1.800 9.380 3.620 1.00 0.00 ATOM 78 HA ASP 46 -2.940 9.400 1.260 1.00 0.00 ATOM 79 HB2 ASP 46 -4.160 8.910 3.730 1.00 0.00 ATOM 80 HB3 ASP 46 -4.970 8.850 2.400 1.00 0.00 ATOM 81 N PHE 47 -3.780 11.870 3.070 1.00 0.00 ATOM 82 CA PHE 47 -4.400 13.190 2.990 1.00 0.00 ATOM 83 C PHE 47 -3.820 14.000 1.860 1.00 0.00 ATOM 84 O PHE 47 -4.520 14.630 1.080 1.00 0.00 ATOM 85 CB PHE 47 -4.190 13.910 4.360 1.00 0.00 ATOM 86 CG PHE 47 -4.890 15.270 4.430 1.00 0.00 ATOM 87 CD1 PHE 47 -4.380 16.380 3.840 1.00 0.00 ATOM 88 CD2 PHE 47 -6.100 15.350 5.090 1.00 0.00 ATOM 89 CE1 PHE 47 -5.010 17.580 3.860 1.00 0.00 ATOM 90 CE2 PHE 47 -6.760 16.540 5.120 1.00 0.00 ATOM 91 CZ PHE 47 -6.240 17.650 4.500 1.00 0.00 ATOM 92 H PHE 47 -3.390 11.630 3.800 1.00 0.00 ATOM 93 HA PHE 47 -5.370 13.080 2.830 1.00 0.00 ATOM 94 HB2 PHE 47 -4.530 13.340 5.060 1.00 0.00 ATOM 95 HB3 PHE 47 -3.240 14.030 4.510 1.00 0.00 ATOM 96 HD1 PHE 47 -3.560 16.310 3.420 1.00 0.00 ATOM 97 HD2 PHE 47 -6.460 14.610 5.510 1.00 0.00 ATOM 98 HE1 PHE 47 -4.630 18.330 3.450 1.00 0.00 ATOM 99 HE2 PHE 47 -7.570 16.600 5.570 1.00 0.00 ATOM 100 HZ PHE 47 -6.720 18.450 4.500 1.00 0.00 ATOM 101 N LYS 48 -2.440 14.020 1.810 1.00 0.00 ATOM 102 CA LYS 48 -1.810 14.770 0.750 1.00 0.00 ATOM 103 C LYS 48 -2.190 14.230 -0.640 1.00 0.00 ATOM 104 O LYS 48 -2.340 15.010 -1.560 1.00 0.00 ATOM 105 CB LYS 48 -0.290 14.740 0.910 1.00 0.00 ATOM 106 CG LYS 48 0.500 15.490 -0.160 1.00 0.00 ATOM 107 CD LYS 48 2.000 15.460 0.010 1.00 0.00 ATOM 108 CE LYS 48 2.640 15.550 -1.370 1.00 0.00 ATOM 109 NZ LYS 48 4.120 15.430 -1.320 1.00 0.00 ATOM 110 H LYS 48 -1.970 13.600 2.390 1.00 0.00 ATOM 111 HA LYS 48 -2.110 15.700 0.820 1.00 0.00 ATOM 112 HB2 LYS 48 -0.070 15.120 1.770 1.00 0.00 ATOM 113 HB3 LYS 48 -0.000 13.820 0.910 1.00 0.00 ATOM 114 HG2 LYS 48 0.290 15.100 -1.030 1.00 0.00 ATOM 115 HG3 LYS 48 0.210 16.410 -0.180 1.00 0.00 ATOM 116 HD2 LYS 48 2.290 16.210 0.560 1.00 0.00 ATOM 117 HD3 LYS 48 2.270 14.640 0.450 1.00 0.00 ATOM 118 HE2 LYS 48 2.290 14.840 -1.930 1.00 0.00 ATOM 119 HE3 LYS 48 2.400 16.390 -1.780 1.00 0.00 ATOM 120 HZ1 LYS 48 4.450 15.450 -2.150 1.00 0.00 ATOM 121 HZ2 LYS 48 4.350 14.670 -0.930 1.00 0.00 ATOM 122 HZ3 LYS 48 4.460 16.120 -0.860 1.00 0.00 ATOM 123 N ALA 49 -2.300 12.930 -0.780 1.00 0.00 ATOM 124 CA ALA 49 -2.710 12.340 -2.050 1.00 0.00 ATOM 125 C ALA 49 -4.120 12.790 -2.420 1.00 0.00 ATOM 126 O ALA 49 -4.400 13.170 -3.570 1.00 0.00 ATOM 127 CB ALA 49 -2.640 10.830 -1.970 1.00 0.00 ATOM 128 H ALA 49 -2.130 12.420 -0.120 1.00 0.00 ATOM 129 HA ALA 49 -2.090 12.650 -2.750 1.00 0.00 ATOM 130 HB1 ALA 49 -1.750 10.560 -1.740 1.00 0.00 ATOM 131 HB2 ALA 49 -2.890 10.460 -2.810 1.00 0.00 ATOM 132 HB3 ALA 49 -3.250 10.520 -1.290 1.00 0.00 ATOM 133 N VAL 50 -5.040 12.700 -1.460 1.00 0.00 ATOM 134 CA VAL 50 -6.460 13.030 -1.750 1.00 0.00 ATOM 135 C VAL 50 -6.650 14.520 -2.040 1.00 0.00 ATOM 136 O VAL 50 -7.310 14.910 -3.030 1.00 0.00 ATOM 137 CB VAL 50 -7.370 12.560 -0.620 1.00 0.00 ATOM 138 CG1 VAL 50 -8.790 13.090 -0.800 1.00 0.00 ATOM 139 CG2 VAL 50 -7.410 11.010 -0.550 1.00 0.00 ATOM 140 H VAL 50 -4.810 12.450 -0.660 1.00 0.00 ATOM 141 HA VAL 50 -6.720 12.540 -2.560 1.00 0.00 ATOM 142 HB VAL 50 -7.020 12.890 0.230 1.00 0.00 ATOM 143 1HG1 VAL 50 -9.340 12.790 -0.070 1.00 0.00 ATOM 144 2HG1 VAL 50 -9.150 12.780 -1.630 1.00 0.00 ATOM 145 3HG1 VAL 50 -8.770 14.050 -0.800 1.00 0.00 ATOM 146 1HG2 VAL 50 -6.510 10.680 -0.440 1.00 0.00 ATOM 147 2HG2 VAL 50 -7.780 10.660 -1.370 1.00 0.00 ATOM 148 3HG2 VAL 50 -7.950 10.740 0.190 1.00 0.00 ATOM 149 N PHE 51 -6.050 15.380 -1.220 1.00 0.00 ATOM 150 CA PHE 51 -6.350 16.810 -1.320 1.00 0.00 ATOM 151 C PHE 51 -5.280 17.630 -2.050 1.00 0.00 ATOM 152 O PHE 51 -5.520 18.830 -2.260 1.00 0.00 ATOM 153 CB PHE 51 -6.540 17.400 0.140 1.00 0.00 ATOM 154 CG PHE 51 -7.800 16.780 0.760 1.00 0.00 ATOM 155 CD1 PHE 51 -9.030 17.180 0.300 1.00 0.00 ATOM 156 CD2 PHE 51 -7.750 15.830 1.740 1.00 0.00 ATOM 157 CE1 PHE 51 -10.200 16.640 0.790 1.00 0.00 ATOM 158 CE2 PHE 51 -8.920 15.250 2.280 1.00 0.00 ATOM 159 CZ PHE 51 -10.150 15.670 1.810 1.00 0.00 ATOM 160 H PHE 51 -5.490 15.100 -0.640 1.00 0.00 ATOM 161 HA PHE 51 -7.190 16.910 -1.800 1.00 0.00 ATOM 162 HB2 PHE 51 -5.760 17.190 0.680 1.00 0.00 ATOM 163 HB3 PHE 51 -6.630 18.360 0.090 1.00 0.00 ATOM 164 HD1 PHE 51 -9.080 17.840 -0.360 1.00 0.00 ATOM 165 HD2 PHE 51 -6.930 15.560 2.070 1.00 0.00 ATOM 166 HE1 PHE 51 -11.020 16.920 0.450 1.00 0.00 ATOM 167 HE2 PHE 51 -8.860 14.590 2.930 1.00 0.00 ATOM 168 HZ PHE 51 -10.940 15.330 2.160 1.00 0.00 ATOM 169 N GLY 52 -4.160 17.020 -2.400 1.00 0.00 ATOM 170 CA GLY 52 -3.150 17.730 -3.160 1.00 0.00 ATOM 171 C GLY 52 -2.340 18.750 -2.440 1.00 0.00 ATOM 172 O GLY 52 -1.710 19.620 -3.070 1.00 0.00 ATOM 173 H GLY 52 -4.030 16.200 -2.180 1.00 0.00 ATOM 174 HA2 GLY 52 -2.550 17.080 -3.540 1.00 0.00 ATOM 175 HA3 GLY 52 -3.590 18.180 -3.900 1.00 0.00 ATOM 176 N MET 53 -2.320 18.670 -1.100 1.00 0.00 ATOM 177 CA MET 53 -1.540 19.560 -0.260 1.00 0.00 ATOM 178 C MET 53 -1.480 18.930 1.120 1.00 0.00 ATOM 179 O MET 53 -2.280 18.010 1.410 1.00 0.00 ATOM 180 CB MET 53 -2.110 20.970 -0.230 1.00 0.00 ATOM 181 CG MET 53 -3.420 21.070 0.540 1.00 0.00 ATOM 182 SD MET 53 -4.170 22.710 0.460 1.00 0.00 ATOM 183 CE MET 53 -4.810 22.710 -1.190 1.00 0.00 ATOM 184 H MET 53 -2.800 18.060 -0.720 1.00 0.00 ATOM 185 HA MET 53 -0.630 19.600 -0.620 1.00 0.00 ATOM 186 HB2 MET 53 -1.460 21.570 0.170 1.00 0.00 ATOM 187 HB3 MET 53 -2.260 21.270 -1.140 1.00 0.00 ATOM 188 HG2 MET 53 -4.040 20.420 0.180 1.00 0.00 ATOM 189 HG3 MET 53 -3.250 20.840 1.470 1.00 0.00 ATOM 190 HE1 MET 53 -5.240 23.540 -1.370 1.00 0.00 ATOM 191 HE2 MET 53 -5.440 21.990 -1.290 1.00 0.00 ATOM 192 HE3 MET 53 -4.090 22.580 -1.810 1.00 0.00 ATOM 193 N THR 54 -0.580 19.400 1.950 1.00 0.00 ATOM 194 CA THR 54 -0.520 18.890 3.300 1.00 0.00 ATOM 195 C THR 54 -1.710 19.350 4.170 1.00 0.00 ATOM 196 O THR 54 -2.380 20.350 3.860 1.00 0.00 ATOM 197 CB THR 54 0.790 19.270 4.010 1.00 0.00 ATOM 198 OG1 THR 54 0.810 20.710 4.040 1.00 0.00 ATOM 199 CG2 THR 54 2.070 18.800 3.290 1.00 0.00 ATOM 200 H THR 54 -0.040 20.010 1.690 1.00 0.00 ATOM 201 HA THR 54 -0.550 17.910 3.250 1.00 0.00 ATOM 202 HB THR 54 0.790 18.930 4.920 1.00 0.00 ATOM 203 HG1 THR 54 1.490 20.960 4.420 1.00 0.00 ATOM 204 1HG2 THR 54 2.840 19.070 3.790 1.00 0.00 ATOM 205 2HG2 THR 54 2.100 19.190 2.410 1.00 0.00 ATOM 206 3HG2 THR 54 2.050 17.840 3.210 1.00 0.00 ATOM 207 N ARG 55 -1.890 18.680 5.280 1.00 0.00 ATOM 208 CA ARG 55 -2.840 19.160 6.290 1.00 0.00 ATOM 209 C ARG 55 -2.560 20.590 6.730 1.00 0.00 ATOM 210 O ARG 55 -3.490 21.360 6.900 1.00 0.00 ATOM 211 CB ARG 55 -2.780 18.310 7.530 1.00 0.00 ATOM 212 CG ARG 55 -3.220 16.900 7.410 1.00 0.00 ATOM 213 CD ARG 55 -3.400 16.380 8.870 1.00 0.00 ATOM 214 NE ARG 55 -3.610 14.950 8.600 1.00 0.00 ATOM 215 CZ ARG 55 -4.840 14.470 8.470 1.00 0.00 ATOM 216 NH1 ARG 55 -5.930 15.220 8.610 1.00 0.00 ATOM 217 NH2 ARG 55 -4.930 13.190 8.190 1.00 0.00 ATOM 218 H ARG 55 -1.460 17.960 5.410 1.00 0.00 ATOM 219 HA ARG 55 -3.740 19.110 5.920 1.00 0.00 ATOM 220 HB2 ARG 55 -1.870 18.310 7.860 1.00 0.00 ATOM 221 HB3 ARG 55 -3.330 18.730 8.220 1.00 0.00 ATOM 222 HG2 ARG 55 -4.060 16.840 6.930 1.00 0.00 ATOM 223 HG3 ARG 55 -2.550 16.370 6.950 1.00 0.00 ATOM 224 HD2 ARG 55 -2.610 16.530 9.410 1.00 0.00 ATOM 225 HD3 ARG 55 -4.180 16.780 9.300 1.00 0.00 ATOM 226 HE ARG 55 -2.930 14.430 8.520 1.00 0.00 ATOM 227 1HH1 ARG 55 -6.710 14.880 8.510 1.00 0.00 ATOM 228 2HH1 ARG 55 -5.860 16.060 8.790 1.00 0.00 ATOM 229 1HH2 ARG 55 -5.700 12.820 8.090 1.00 0.00 ATOM 230 2HH2 ARG 55 -4.210 12.720 8.110 1.00 0.00 ATOM 231 N SER 56 -1.280 20.890 6.920 1.00 0.00 ATOM 232 CA SER 56 -0.950 22.230 7.340 1.00 0.00 ATOM 233 C SER 56 -1.420 23.250 6.310 1.00 0.00 ATOM 234 O SER 56 -1.890 24.320 6.670 1.00 0.00 ATOM 235 CB SER 56 0.570 22.310 7.530 1.00 0.00 ATOM 236 CB SER 56 0.560 22.370 7.580 1.00 0.00 ATOM 237 OG SER 56 0.810 23.600 8.050 1.00 0.00 ATOM 238 OG SER 56 1.330 22.440 6.400 1.00 0.00 ATOM 239 H SER 56 -0.670 20.300 6.800 1.00 0.00 ATOM 240 HA SER 56 -1.390 22.410 8.200 1.00 0.00 ATOM 241 HB2 SER 56 0.880 21.630 8.150 1.00 0.00 ATOM 242 HB2 SER 56 0.720 23.170 8.110 1.00 0.00 ATOM 243 HB3 SER 56 1.030 22.190 6.690 1.00 0.00 ATOM 244 HB3 SER 56 0.860 21.610 8.100 1.00 0.00 ATOM 245 HG SER 56 0.570 24.160 7.500 1.00 0.00 ATOM 246 HG SER 56 1.210 21.770 5.960 1.00 0.00 ATOM 247 N ALA 57 -1.180 22.970 5.030 1.00 0.00 ATOM 248 CA ALA 57 -1.610 23.890 3.990 1.00 0.00 ATOM 249 C ALA 57 -3.100 24.060 3.980 1.00 0.00 ATOM 250 O ALA 57 -3.670 25.160 3.850 1.00 0.00 ATOM 251 CB ALA 57 -1.080 23.340 2.650 1.00 0.00 ATOM 252 H ALA 57 -0.780 22.240 4.820 1.00 0.00 ATOM 253 HA ALA 57 -1.190 24.760 4.150 1.00 0.00 ATOM 254 HB1 ALA 57 -0.130 23.240 2.690 1.00 0.00 ATOM 255 HB2 ALA 57 -1.310 23.940 1.940 1.00 0.00 ATOM 256 HB3 ALA 57 -1.480 22.480 2.480 1.00 0.00 ATOM 257 N PHE 58 -3.780 22.890 4.030 1.00 0.00 ATOM 258 CA PHE 58 -5.250 22.890 3.950 1.00 0.00 ATOM 259 C PHE 58 -5.890 23.700 5.060 1.00 0.00 ATOM 260 O PHE 58 -6.920 24.360 4.880 1.00 0.00 ATOM 261 CB PHE 58 -5.670 21.410 3.940 1.00 0.00 ATOM 262 CG PHE 58 -7.110 21.100 3.610 1.00 0.00 ATOM 263 CD1 PHE 58 -8.110 20.970 4.540 1.00 0.00 ATOM 264 CD2 PHE 58 -7.460 20.910 2.290 1.00 0.00 ATOM 265 CE1 PHE 58 -9.380 20.580 4.190 1.00 0.00 ATOM 266 CE2 PHE 58 -8.700 20.540 1.880 1.00 0.00 ATOM 267 CZ PHE 58 -9.680 20.380 2.860 1.00 0.00 ATOM 268 H PHE 58 -3.350 22.150 4.110 1.00 0.00 ATOM 269 HA PHE 58 -5.510 23.290 3.090 1.00 0.00 ATOM 270 HB2 PHE 58 -5.100 20.940 3.300 1.00 0.00 ATOM 271 HB3 PHE 58 -5.480 21.040 4.820 1.00 0.00 ATOM 272 HD1 PHE 58 -7.920 21.140 5.440 1.00 0.00 ATOM 273 HD2 PHE 58 -6.810 21.030 1.640 1.00 0.00 ATOM 274 HE1 PHE 58 -10.030 20.460 4.840 1.00 0.00 ATOM 275 HE2 PHE 58 -8.890 20.390 0.980 1.00 0.00 ATOM 276 HZ PHE 58 -10.540 20.140 2.620 1.00 0.00 ATOM 277 N ALA 59 -5.240 23.660 6.240 1.00 0.00 ATOM 278 CA ALA 59 -5.740 24.330 7.390 1.00 0.00 ATOM 279 C ALA 59 -5.720 25.860 7.250 1.00 0.00 ATOM 280 O ALA 59 -6.360 26.580 8.030 1.00 0.00 ATOM 281 CB ALA 59 -4.970 23.870 8.630 1.00 0.00 ATOM 282 H ALA 59 -4.510 23.210 6.300 1.00 0.00 ATOM 283 HA ALA 59 -6.680 24.060 7.510 1.00 0.00 ATOM 284 HB1 ALA 59 -5.010 22.910 8.690 1.00 0.00 ATOM 285 HB2 ALA 59 -5.370 24.260 9.420 1.00 0.00 ATOM 286 HB3 ALA 59 -4.060 24.160 8.560 1.00 0.00 ATOM 287 N ASN 60 -4.990 26.380 6.260 1.00 0.00 ATOM 288 CA ASN 60 -4.990 27.810 5.960 1.00 0.00 ATOM 289 C ASN 60 -6.160 28.260 5.070 1.00 0.00 ATOM 290 O ASN 60 -6.370 29.470 4.960 1.00 0.00 ATOM 291 CB ASN 60 -3.670 28.240 5.300 1.00 0.00 ATOM 292 CG ASN 60 -2.450 28.170 6.210 1.00 0.00 ATOM 293 OD1 ASN 60 -2.590 28.080 7.430 1.00 0.00 ATOM 294 ND2 ASN 60 -1.230 28.310 5.670 1.00 0.00 ATOM 295 H ASN 60 -4.500 25.850 5.780 1.00 0.00 ATOM 296 HA ASN 60 -5.070 28.280 6.810 1.00 0.00 ATOM 297 HB2 ASN 60 -3.500 27.680 4.530 1.00 0.00 ATOM 298 HB3 ASN 60 -3.760 29.150 4.990 1.00 0.00 ATOM 299 1HD2 ASN 60 -0.540 28.330 6.180 1.00 0.00 ATOM 300 2HD2 ASN 60 -1.140 28.380 4.820 1.00 0.00 ATOM 301 N LEU 61 -6.890 27.340 4.490 1.00 0.00 ATOM 302 CA LEU 61 -8.010 27.710 3.660 1.00 0.00 ATOM 303 C LEU 61 -9.160 28.160 4.530 1.00 0.00 ATOM 304 O LEU 61 -9.260 27.800 5.720 1.00 0.00 ATOM 305 CB LEU 61 -8.410 26.530 2.780 1.00 0.00 ATOM 306 CG LEU 61 -7.360 25.990 1.850 1.00 0.00 ATOM 307 CD1 LEU 61 -7.850 24.720 1.200 1.00 0.00 ATOM 308 CD2 LEU 61 -7.000 27.010 0.790 1.00 0.00 ATOM 309 H LEU 61 -6.700 26.510 4.610 1.00 0.00 ATOM 310 HA LEU 61 -7.740 28.450 3.090 1.00 0.00 ATOM 311 HB2 LEU 61 -8.700 25.810 3.360 1.00 0.00 ATOM 312 HB3 LEU 61 -9.180 26.800 2.250 1.00 0.00 ATOM 313 HG LEU 61 -6.550 25.780 2.370 1.00 0.00 ATOM 314 1HD1 LEU 61 -7.180 24.380 0.610 1.00 0.00 ATOM 315 2HD1 LEU 61 -8.650 24.900 0.710 1.00 0.00 ATOM 316 3HD1 LEU 61 -8.040 24.070 1.880 1.00 0.00 ATOM 317 1HD2 LEU 61 -6.320 26.640 0.210 1.00 0.00 ATOM 318 2HD2 LEU 61 -6.660 27.800 1.210 1.00 0.00 ATOM 319 3HD2 LEU 61 -7.780 27.220 0.270 1.00 0.00 ATOM 320 N PRO 62 -10.120 28.920 3.990 1.00 0.00 ATOM 321 CA PRO 62 -11.340 29.280 4.780 1.00 0.00 ATOM 322 C PRO 62 -12.000 28.050 5.330 1.00 0.00 ATOM 323 O PRO 62 -12.010 26.970 4.690 1.00 0.00 ATOM 324 CB PRO 62 -12.230 30.000 3.750 1.00 0.00 ATOM 325 CG PRO 62 -11.270 30.540 2.730 1.00 0.00 ATOM 326 CD PRO 62 -10.180 29.490 2.630 1.00 0.00 ATOM 327 HA PRO 62 -11.100 29.900 5.500 1.00 0.00 ATOM 328 HB2 PRO 62 -12.860 29.380 3.340 1.00 0.00 ATOM 329 HB3 PRO 62 -12.730 30.720 4.170 1.00 0.00 ATOM 330 HG2 PRO 62 -11.710 30.670 1.870 1.00 0.00 ATOM 331 HG3 PRO 62 -10.900 31.390 3.020 1.00 0.00 ATOM 332 HD2 PRO 62 -10.410 28.820 1.980 1.00 0.00 ATOM 333 HD3 PRO 62 -9.330 29.890 2.380 1.00 0.00 ATOM 334 N LEU 63 -12.590 28.160 6.490 1.00 0.00 ATOM 335 CA LEU 63 -13.210 26.990 7.100 1.00 0.00 ATOM 336 C LEU 63 -14.300 26.400 6.230 1.00 0.00 ATOM 337 O LEU 63 -14.430 25.180 6.140 1.00 0.00 ATOM 338 CB LEU 63 -13.750 27.300 8.490 1.00 0.00 ATOM 339 CG LEU 63 -12.720 27.850 9.470 1.00 0.00 ATOM 340 CD1 LEU 63 -13.270 27.930 10.890 1.00 0.00 ATOM 341 CD2 LEU 63 -11.430 27.030 9.480 1.00 0.00 ATOM 342 H LEU 63 -12.620 28.910 6.890 1.00 0.00 ATOM 343 HA LEU 63 -12.510 26.310 7.200 1.00 0.00 ATOM 344 HB2 LEU 63 -14.470 27.940 8.410 1.00 0.00 ATOM 345 HB3 LEU 63 -14.130 26.480 8.860 1.00 0.00 ATOM 346 HG LEU 63 -12.500 28.760 9.190 1.00 0.00 ATOM 347 1HD1 LEU 63 -12.600 28.280 11.480 1.00 0.00 ATOM 348 2HD1 LEU 63 -13.530 27.050 11.180 1.00 0.00 ATOM 349 3HD1 LEU 63 -14.040 28.500 10.900 1.00 0.00 ATOM 350 1HD2 LEU 63 -11.070 26.990 8.590 1.00 0.00 ATOM 351 2HD2 LEU 63 -11.610 26.150 9.800 1.00 0.00 ATOM 352 3HD2 LEU 63 -10.790 27.460 10.060 1.00 0.00 ATOM 353 N TRP 64 -15.140 27.210 5.630 1.00 0.00 ATOM 354 CA TRP 64 -16.210 26.690 4.790 1.00 0.00 ATOM 355 C TRP 64 -15.630 25.940 3.610 1.00 0.00 ATOM 356 O TRP 64 -16.220 24.980 3.100 1.00 0.00 ATOM 357 CB TRP 64 -17.200 27.740 4.300 1.00 0.00 ATOM 358 CB TRP 64 -17.070 27.880 4.300 1.00 0.00 ATOM 359 CG TRP 64 -16.500 28.720 3.430 1.00 0.00 ATOM 360 CG TRP 64 -18.030 28.190 5.430 1.00 0.00 ATOM 361 CD1 TRP 64 -15.960 29.930 3.770 1.00 0.00 ATOM 362 CD1 TRP 64 -17.800 29.050 6.460 1.00 0.00 ATOM 363 CD2 TRP 64 -16.260 28.550 2.030 1.00 0.00 ATOM 364 CD2 TRP 64 -19.330 27.640 5.650 1.00 0.00 ATOM 365 NE1 TRP 64 -15.390 30.570 2.720 1.00 0.00 ATOM 366 NE1 TRP 64 -18.870 29.080 7.300 1.00 0.00 ATOM 367 CE2 TRP 64 -15.570 29.710 1.620 1.00 0.00 ATOM 368 CE2 TRP 64 -19.830 28.220 6.820 1.00 0.00 ATOM 369 CE3 TRP 64 -16.580 27.520 1.130 1.00 0.00 ATOM 370 CE3 TRP 64 -20.110 26.720 4.950 1.00 0.00 ATOM 371 CZ2 TRP 64 -15.180 29.850 0.270 1.00 0.00 ATOM 372 CZ2 TRP 64 -21.090 27.900 7.320 1.00 0.00 ATOM 373 CZ3 TRP 64 -16.180 27.680 -0.190 1.00 0.00 ATOM 374 CZ3 TRP 64 -21.360 26.390 5.440 1.00 0.00 ATOM 375 CH2 TRP 64 -15.490 28.840 -0.590 1.00 0.00 ATOM 376 CH2 TRP 64 -21.840 26.980 6.610 1.00 0.00 ATOM 377 H TRP 64 -15.060 28.060 5.740 1.00 0.00 ATOM 378 HA TRP 64 -16.710 26.040 5.330 1.00 0.00 ATOM 379 HB2 TRP 64 -17.910 27.310 3.800 1.00 0.00 ATOM 380 HB2 TRP 64 -16.510 28.650 4.110 1.00 0.00 ATOM 381 HB3 TRP 64 -17.600 28.200 5.060 1.00 0.00 ATOM 382 HB3 TRP 64 -17.550 27.640 3.500 1.00 0.00 ATOM 383 HD1 TRP 64 -15.990 30.280 4.630 1.00 0.00 ATOM 384 HD1 TRP 64 -17.030 29.550 6.570 1.00 0.00 ATOM 385 HE1 TRP 64 -15.010 31.340 2.730 1.00 0.00 ATOM 386 HE1 TRP 64 -18.940 29.560 8.010 1.00 0.00 ATOM 387 HE3 TRP 64 -17.010 26.810 1.340 1.00 0.00 ATOM 388 HE3 TRP 64 -19.790 26.320 4.170 1.00 0.00 ATOM 389 HZ2 TRP 64 -14.700 30.690 0.050 1.00 0.00 ATOM 390 HZ2 TRP 64 -21.380 28.310 8.110 1.00 0.00 ATOM 391 HZ3 TRP 64 -16.320 27.150 -0.890 1.00 0.00 ATOM 392 HZ3 TRP 64 -21.920 25.800 5.040 1.00 0.00 ATOM 393 HH2 TRP 64 -15.190 29.070 -1.490 1.00 0.00 ATOM 394 HH2 TRP 64 -22.670 26.800 6.980 1.00 0.00 ATOM 395 N LYS 65 -14.490 26.390 3.130 1.00 0.00 ATOM 396 CA LYS 65 -13.840 25.750 1.970 1.00 0.00 ATOM 397 C LYS 65 -13.240 24.410 2.340 1.00 0.00 ATOM 398 O LYS 65 -13.320 23.450 1.600 1.00 0.00 ATOM 399 CB LYS 65 -12.800 26.650 1.350 1.00 0.00 ATOM 400 CG LYS 65 -12.320 26.140 0.010 1.00 0.00 ATOM 401 CD LYS 65 -11.810 27.210 -0.900 1.00 0.00 ATOM 402 CE LYS 65 -11.760 26.740 -2.340 1.00 0.00 ATOM 403 NZ LYS 65 -11.210 27.820 -3.170 1.00 0.00 ATOM 404 H LYS 65 -14.100 27.060 3.510 1.00 0.00 ATOM 405 HA LYS 65 -14.530 25.580 1.290 1.00 0.00 ATOM 406 HB2 LYS 65 -13.180 27.540 1.230 1.00 0.00 ATOM 407 HB3 LYS 65 -12.050 26.720 1.950 1.00 0.00 ATOM 408 HG2 LYS 65 -11.610 25.490 0.160 1.00 0.00 ATOM 409 HG3 LYS 65 -13.050 25.680 -0.430 1.00 0.00 ATOM 410 HD2 LYS 65 -12.380 27.990 -0.830 1.00 0.00 ATOM 411 HD3 LYS 65 -10.920 27.470 -0.620 1.00 0.00 ATOM 412 HE2 LYS 65 -11.190 25.960 -2.410 1.00 0.00 ATOM 413 HE3 LYS 65 -12.650 26.510 -2.650 1.00 0.00 ATOM 414 HZ1 LYS 65 -11.180 27.560 -4.020 1.00 0.00 ATOM 415 HZ2 LYS 65 -10.390 28.030 -2.900 1.00 0.00 ATOM 416 HZ3 LYS 65 -11.740 28.540 -3.100 1.00 0.00 ATOM 417 N GLN 66 -12.620 24.340 3.540 1.00 0.00 ATOM 418 CA GLN 66 -12.150 23.040 4.030 1.00 0.00 ATOM 419 C GLN 66 -13.310 22.060 4.110 1.00 0.00 ATOM 420 O GLN 66 -13.190 20.910 3.670 1.00 0.00 ATOM 421 CB GLN 66 -11.540 23.190 5.400 1.00 0.00 ATOM 422 CG GLN 66 -10.270 24.040 5.450 1.00 0.00 ATOM 423 CD GLN 66 -9.720 24.140 6.840 1.00 0.00 ATOM 424 OE1 GLN 66 -9.660 23.150 7.570 1.00 0.00 ATOM 425 NE2 GLN 66 -9.280 25.340 7.220 1.00 0.00 ATOM 426 H GLN 66 -12.490 25.050 4.010 1.00 0.00 ATOM 427 HA GLN 66 -11.470 22.680 3.420 1.00 0.00 ATOM 428 HB2 GLN 66 -12.200 23.590 5.990 1.00 0.00 ATOM 429 HB3 GLN 66 -11.340 22.310 5.740 1.00 0.00 ATOM 430 HG2 GLN 66 -9.600 23.640 4.870 1.00 0.00 ATOM 431 HG3 GLN 66 -10.460 24.930 5.110 1.00 0.00 ATOM 432 1HE2 GLN 66 -8.930 25.450 8.000 1.00 0.00 ATOM 433 2HE2 GLN 66 -9.330 26.010 6.680 1.00 0.00 ATOM 434 N GLN 67 -14.450 22.500 4.640 1.00 0.00 ATOM 435 CA GLN 67 -15.620 21.640 4.730 1.00 0.00 ATOM 436 C GLN 67 -16.060 21.190 3.340 1.00 0.00 ATOM 437 O GLN 67 -16.330 20.020 3.100 1.00 0.00 ATOM 438 CB GLN 67 -16.770 22.290 5.510 1.00 0.00 ATOM 439 CG GLN 67 -17.960 21.370 5.640 1.00 0.00 ATOM 440 CD GLN 67 -19.190 22.000 6.290 1.00 0.00 ATOM 441 OE1 GLN 67 -19.610 23.080 5.890 1.00 0.00 ATOM 442 NE2 GLN 67 -19.740 21.340 7.290 1.00 0.00 ATOM 443 H GLN 67 -14.500 23.310 4.930 1.00 0.00 ATOM 444 HA GLN 67 -15.360 20.830 5.230 1.00 0.00 ATOM 445 HB2 GLN 67 -16.450 22.530 6.400 1.00 0.00 ATOM 446 HB3 GLN 67 -17.040 23.100 5.060 1.00 0.00 ATOM 447 HG2 GLN 67 -18.210 21.060 4.750 1.00 0.00 ATOM 448 HG3 GLN 67 -17.700 20.590 6.160 1.00 0.00 ATOM 449 1HE2 GLN 67 -20.430 21.660 7.690 1.00 0.00 ATOM 450 2HE2 GLN 67 -19.410 20.590 7.540 1.00 0.00 ATOM 451 N HIS 68 -16.170 22.130 2.420 1.00 0.00 ATOM 452 CA HIS 68 -16.580 21.830 1.050 1.00 0.00 ATOM 453 C HIS 68 -15.660 20.830 0.390 1.00 0.00 ATOM 454 O HIS 68 -16.110 19.870 -0.230 1.00 0.00 ATOM 455 CB HIS 68 -16.500 23.120 0.220 1.00 0.00 ATOM 456 CB HIS 68 -16.710 23.130 0.260 1.00 0.00 ATOM 457 CG HIS 68 -16.360 23.110 -1.270 1.00 0.00 ATOM 458 CG HIS 68 -17.490 22.690 -0.940 1.00 0.00 ATOM 459 ND1 HIS 68 -15.360 23.470 -2.140 1.00 0.00 ATOM 460 ND1 HIS 68 -17.090 23.010 -2.210 1.00 0.00 ATOM 461 CD2 HIS 68 -17.320 22.630 -2.110 1.00 0.00 ATOM 462 CD2 HIS 68 -18.570 21.920 -1.100 1.00 0.00 ATOM 463 CE1 HIS 68 -15.660 23.290 -3.400 1.00 0.00 ATOM 464 CE1 HIS 68 -17.960 22.490 -3.060 1.00 0.00 ATOM 465 NE2 HIS 68 -16.880 22.780 -3.390 1.00 0.00 ATOM 466 NE2 HIS 68 -18.910 21.800 -2.400 1.00 0.00 ATOM 467 H HIS 68 -16.000 22.950 2.630 1.00 0.00 ATOM 468 HA HIS 68 -17.490 21.490 1.050 1.00 0.00 ATOM 469 HB2 HIS 68 -17.300 23.630 0.420 1.00 0.00 ATOM 470 HB2 HIS 68 -17.190 23.810 0.770 1.00 0.00 ATOM 471 HB3 HIS 68 -15.750 23.630 0.560 1.00 0.00 ATOM 472 HB3 HIS 68 -15.840 23.480 0.010 1.00 0.00 ATOM 473 HD1 HIS 68 -14.610 23.780 -1.880 1.00 0.00 ATOM 474 HD1 HIS 68 -16.400 23.470 -2.430 1.00 0.00 ATOM 475 HD2 HIS 68 -18.140 22.270 -1.850 1.00 0.00 ATOM 476 HD2 HIS 68 -19.030 21.520 -0.400 1.00 0.00 ATOM 477 HE1 HIS 68 -15.130 23.470 -4.150 1.00 0.00 ATOM 478 HE1 HIS 68 -17.930 22.590 -3.980 1.00 0.00 ATOM 479 N LEU 69 -14.350 21.050 0.490 1.00 0.00 ATOM 480 CA LEU 69 -13.420 20.190 -0.210 1.00 0.00 ATOM 481 C LEU 69 -13.470 18.790 0.350 1.00 0.00 ATOM 482 O LEU 69 -13.360 17.800 -0.400 1.00 0.00 ATOM 483 CB LEU 69 -11.990 20.780 -0.170 1.00 0.00 ATOM 484 CG LEU 69 -11.770 22.080 -0.980 1.00 0.00 ATOM 485 CD1 LEU 69 -10.420 22.710 -0.640 1.00 0.00 ATOM 486 CD2 LEU 69 -11.920 21.880 -2.460 1.00 0.00 ATOM 487 H LEU 69 -14.060 21.710 0.970 1.00 0.00 ATOM 488 HA LEU 69 -13.700 20.150 -1.150 1.00 0.00 ATOM 489 HB2 LEU 69 -11.760 20.960 0.750 1.00 0.00 ATOM 490 HB3 LEU 69 -11.380 20.110 -0.500 1.00 0.00 ATOM 491 HG LEU 69 -12.460 22.720 -0.710 1.00 0.00 ATOM 492 1HD1 LEU 69 -10.350 22.820 0.320 1.00 0.00 ATOM 493 2HD1 LEU 69 -10.340 23.560 -1.060 1.00 0.00 ATOM 494 3HD1 LEU 69 -9.710 22.130 -0.940 1.00 0.00 ATOM 495 1HD2 LEU 69 -12.780 21.480 -2.640 1.00 0.00 ATOM 496 2HD2 LEU 69 -11.230 21.290 -2.770 1.00 0.00 ATOM 497 3HD2 LEU 69 -11.850 22.720 -2.910 1.00 0.00 ATOM 498 N LYS 70 -13.600 18.670 1.650 1.00 0.00 ATOM 499 CA LYS 70 -13.730 17.360 2.260 1.00 0.00 ATOM 500 C LYS 70 -15.030 16.660 1.830 1.00 0.00 ATOM 501 O LYS 70 -15.040 15.490 1.420 1.00 0.00 ATOM 502 CB LYS 70 -13.640 17.420 3.780 1.00 0.00 ATOM 503 CG LYS 70 -12.240 17.730 4.230 1.00 0.00 ATOM 504 CD LYS 70 -12.070 17.610 5.710 1.00 0.00 ATOM 505 CE LYS 70 -10.970 16.780 6.230 1.00 0.00 ATOM 506 NZ LYS 70 -10.790 17.210 7.640 1.00 0.00 ATOM 507 H LYS 70 -13.620 19.380 2.150 1.00 0.00 ATOM 508 HA LYS 70 -12.980 16.820 1.940 1.00 0.00 ATOM 509 HB2 LYS 70 -14.240 18.100 4.110 1.00 0.00 ATOM 510 HB3 LYS 70 -13.910 16.560 4.150 1.00 0.00 ATOM 511 HG2 LYS 70 -11.620 17.120 3.790 1.00 0.00 ATOM 512 HG3 LYS 70 -12.010 18.630 3.960 1.00 0.00 ATOM 513 HD2 LYS 70 -11.970 18.500 6.060 1.00 0.00 ATOM 514 HD3 LYS 70 -12.900 17.250 6.060 1.00 0.00 ATOM 515 HE2 LYS 70 -11.200 15.840 6.180 1.00 0.00 ATOM 516 HE3 LYS 70 -10.160 16.930 5.720 1.00 0.00 ATOM 517 HZ1 LYS 70 -10.130 16.740 8.010 1.00 0.00 ATOM 518 HZ2 LYS 70 -11.540 17.070 8.090 1.00 0.00 ATOM 519 HZ3 LYS 70 -10.580 18.080 7.660 1.00 0.00 ATOM 520 N LYS 71 -16.150 17.370 1.870 1.00 0.00 ATOM 521 CA LYS 71 -17.420 16.760 1.470 1.00 0.00 ATOM 522 C LYS 71 -17.390 16.350 -0.010 1.00 0.00 ATOM 523 O LYS 71 -17.960 15.320 -0.360 1.00 0.00 ATOM 524 CB LYS 71 -18.580 17.690 1.830 1.00 0.00 ATOM 525 CG LYS 71 -18.750 17.720 3.380 1.00 0.00 ATOM 526 CD LYS 71 -19.960 18.420 3.930 1.00 0.00 ATOM 527 CE LYS 71 -20.270 18.230 5.410 1.00 0.00 ATOM 528 NZ LYS 71 -21.650 18.770 5.670 1.00 0.00 ATOM 529 H LYS 71 -16.130 18.190 2.140 1.00 0.00 ATOM 530 HA LYS 71 -17.530 15.940 1.990 1.00 0.00 ATOM 531 HB2 LYS 71 -18.390 18.590 1.510 1.00 0.00 ATOM 532 HB3 LYS 71 -19.390 17.380 1.410 1.00 0.00 ATOM 533 HG2 LYS 71 -18.770 16.800 3.690 1.00 0.00 ATOM 534 HG3 LYS 71 -17.960 18.140 3.760 1.00 0.00 ATOM 535 HD2 LYS 71 -19.850 19.370 3.770 1.00 0.00 ATOM 536 HD3 LYS 71 -20.730 18.120 3.430 1.00 0.00 ATOM 537 HE2 LYS 71 -20.230 17.290 5.640 1.00 0.00 ATOM 538 HE3 LYS 71 -19.620 18.700 5.950 1.00 0.00 ATOM 539 HZ1 LYS 71 -21.850 18.670 6.530 1.00 0.00 ATOM 540 HZ2 LYS 71 -22.240 18.330 5.170 1.00 0.00 ATOM 541 HZ3 LYS 71 -21.670 19.640 5.450 1.00 0.00 ATOM 542 N GLU 72 -16.800 17.160 -0.860 1.00 0.00 ATOM 543 CA GLU 72 -16.700 16.810 -2.260 1.00 0.00 ATOM 544 C GLU 72 -15.960 15.490 -2.480 1.00 0.00 ATOM 545 O GLU 72 -16.240 14.820 -3.470 1.00 0.00 ATOM 546 CB GLU 72 -16.020 17.920 -3.060 1.00 0.00 ATOM 547 CG GLU 72 -16.870 19.140 -3.380 1.00 0.00 ATOM 548 CD GLU 72 -18.050 18.820 -4.260 1.00 0.00 ATOM 549 OE1 GLU 72 -19.260 19.050 -3.890 1.00 0.00 ATOM 550 OE2 GLU 72 -17.820 18.300 -5.390 1.00 0.00 ATOM 551 H GLU 72 -16.460 17.900 -0.580 1.00 0.00 ATOM 552 HA GLU 72 -17.610 16.700 -2.610 1.00 0.00 ATOM 553 HB2 GLU 72 -15.240 18.210 -2.570 1.00 0.00 ATOM 554 HB3 GLU 72 -15.720 17.540 -3.900 1.00 0.00 ATOM 555 HG2 GLU 72 -17.190 19.530 -2.550 1.00 0.00 ATOM 556 HG3 GLU 72 -16.320 19.810 -3.820 1.00 0.00 ATOM 557 N LYS 73 -15.040 15.140 -1.590 1.00 0.00 ATOM 558 CA LYS 73 -14.240 13.930 -1.670 1.00 0.00 ATOM 559 C LYS 73 -14.880 12.820 -0.810 1.00 0.00 ATOM 560 O LYS 73 -14.330 11.730 -0.640 1.00 0.00 ATOM 561 CB LYS 73 -12.790 14.190 -1.280 1.00 0.00 ATOM 562 CG LYS 73 -11.930 15.020 -2.210 1.00 0.00 ATOM 563 CD LYS 73 -11.550 14.310 -3.480 1.00 0.00 ATOM 564 CE LYS 73 -10.650 15.130 -4.410 1.00 0.00 ATOM 565 NZ LYS 73 -11.350 16.260 -5.010 1.00 0.00 ATOM 566 H LYS 73 -14.910 15.660 -0.920 1.00 0.00 ATOM 567 HA LYS 73 -14.250 13.620 -2.600 1.00 0.00 ATOM 568 HB2 LYS 73 -12.790 14.630 -0.410 1.00 0.00 ATOM 569 HB3 LYS 73 -12.360 13.330 -1.160 1.00 0.00 ATOM 570 HG2 LYS 73 -12.410 15.830 -2.430 1.00 0.00 ATOM 571 HG3 LYS 73 -11.120 15.270 -1.740 1.00 0.00 ATOM 572 HD2 LYS 73 -11.100 13.490 -3.250 1.00 0.00 ATOM 573 HD3 LYS 73 -12.370 14.080 -3.960 1.00 0.00 ATOM 574 HE2 LYS 73 -9.890 15.450 -3.910 1.00 0.00 ATOM 575 HE3 LYS 73 -10.320 14.550 -5.120 1.00 0.00 ATOM 576 HZ1 LYS 73 -10.800 16.690 -5.550 1.00 0.00 ATOM 577 HZ2 LYS 73 -11.630 16.810 -4.370 1.00 0.00 ATOM 578 HZ3 LYS 73 -12.050 15.960 -5.480 1.00 0.00 ATOM 579 N GLY 74 -16.080 13.040 -0.280 1.00 0.00 ATOM 580 CA GLY 74 -16.750 12.060 0.530 1.00 0.00 ATOM 581 C GLY 74 -16.220 11.820 1.940 1.00 0.00 ATOM 582 O GLY 74 -16.580 10.750 2.490 1.00 0.00 ATOM 583 H GLY 74 -16.460 13.800 -0.420 1.00 0.00 ATOM 584 HA2 GLY 74 -17.680 12.320 0.600 1.00 0.00 ATOM 585 HA3 GLY 74 -16.730 11.210 0.050 1.00 0.00 ATOM 586 N LEU 75 -15.490 12.790 2.470 1.00 0.00 ATOM 587 CA LEU 75 -14.840 12.800 3.790 1.00 0.00 ATOM 588 C LEU 75 -15.430 13.870 4.700 1.00 0.00 ATOM 589 O LEU 75 -16.180 14.760 4.250 1.00 0.00 ATOM 590 CB LEU 75 -13.310 12.990 3.650 1.00 0.00 ATOM 591 CG LEU 75 -12.600 11.880 2.870 1.00 0.00 ATOM 592 CD1 LEU 75 -11.300 12.230 2.170 1.00 0.00 ATOM 593 CD2 LEU 75 -12.240 10.750 3.870 1.00 0.00 ATOM 594 H LEU 75 -15.400 13.500 1.990 1.00 0.00 ATOM 595 HA LEU 75 -15.000 11.930 4.210 1.00 0.00 ATOM 596 HB2 LEU 75 -13.140 13.830 3.210 1.00 0.00 ATOM 597 HB3 LEU 75 -12.920 13.040 4.540 1.00 0.00 ATOM 598 HG LEU 75 -13.230 11.520 2.210 1.00 0.00 ATOM 599 1HD1 LEU 75 -10.980 11.460 1.690 1.00 0.00 ATOM 600 2HD1 LEU 75 -10.650 12.500 2.820 1.00 0.00 ATOM 601 3HD1 LEU 75 -11.460 12.940 1.550 1.00 0.00 ATOM 602 1HD2 LEU 75 -13.020 10.490 4.360 1.00 0.00 ATOM 603 2HD2 LEU 75 -11.560 11.070 4.480 1.00 0.00 ATOM 604 3HD2 LEU 75 -11.890 10.000 3.380 1.00 0.00 ATOM 605 N PHE 76 -15.100 13.790 5.990 1.00 0.00 ATOM 606 CA PHE 76 -15.670 14.560 7.080 1.00 0.00 ATOM 607 C PHE 76 -14.600 15.450 7.690 1.00 0.00 ATOM 608 O PHE 76 -13.480 14.930 7.600 1.00 0.00 ATOM 609 CB PHE 76 -16.180 13.660 8.210 1.00 0.00 ATOM 610 CB PHE 76 -16.210 13.720 8.220 1.00 0.00 ATOM 611 CG PHE 76 -17.350 12.790 7.800 1.00 0.00 ATOM 612 CG PHE 76 -17.230 12.630 8.170 1.00 0.00 ATOM 613 CD1 PHE 76 -17.390 11.450 8.140 1.00 0.00 ATOM 614 CD1 PHE 76 -16.820 11.300 8.290 1.00 0.00 ATOM 615 CD2 PHE 76 -18.380 13.360 7.070 1.00 0.00 ATOM 616 CD2 PHE 76 -18.590 12.860 8.010 1.00 0.00 ATOM 617 CE1 PHE 76 -18.470 10.680 7.770 1.00 0.00 ATOM 618 CE1 PHE 76 -17.700 10.240 8.270 1.00 0.00 ATOM 619 CE2 PHE 76 -19.460 12.580 6.670 1.00 0.00 ATOM 620 CE2 PHE 76 -19.480 11.800 8.000 1.00 0.00 ATOM 621 CZ PHE 76 -19.480 11.250 7.020 1.00 0.00 ATOM 622 CZ PHE 76 -19.060 10.490 8.140 1.00 0.00 ATOM 623 OXT PHE 76 -14.900 16.490 8.300 1.00 0.00 ATOM 624 H PHE 76 -14.490 13.230 6.200 1.00 0.00 ATOM 625 HA PHE 76 -16.410 15.110 6.740 1.00 0.00 ATOM 626 HB2 PHE 76 -15.450 13.090 8.510 1.00 0.00 ATOM 627 HB2 PHE 76 -15.430 13.320 8.630 1.00 0.00 ATOM 628 HB3 PHE 76 -16.440 14.220 8.960 1.00 0.00 ATOM 629 HB3 PHE 76 -16.560 14.360 8.860 1.00 0.00 ATOM 630 HD1 PHE 76 -16.700 11.080 8.630 1.00 0.00 ATOM 631 HD1 PHE 76 -15.910 11.130 8.400 1.00 0.00 ATOM 632 HD2 PHE 76 -18.350 14.260 6.840 1.00 0.00 ATOM 633 HD2 PHE 76 -18.900 13.730 7.910 1.00 0.00 ATOM 634 HE1 PHE 76 -18.510 9.780 8.020 1.00 0.00 ATOM 635 HE1 PHE 76 -17.380 9.370 8.350 1.00 0.00 ATOM 636 HE2 PHE 76 -20.160 12.950 6.180 1.00 0.00 ATOM 637 HE2 PHE 76 -20.390 11.980 7.890 1.00 0.00 ATOM 638 HZ PHE 76 -20.200 10.720 6.750 1.00 0.00 ATOM 639 HZ PHE 76 -19.670 9.800 8.150 1.00 0.00 ATOM 640 S SO4 77 -9.080 13.780 7.260 1.00 0.00 ATOM 641 S SO4 77 -9.780 12.830 6.870 1.00 0.00 ATOM 642 O1 SO4 77 -9.110 13.700 5.770 1.00 0.00 ATOM 643 O1 SO4 77 -10.260 11.520 7.200 1.00 0.00 ATOM 644 O2 SO4 77 -7.900 12.930 7.630 1.00 0.00 ATOM 645 O2 SO4 77 -10.780 13.900 7.100 1.00 0.00 ATOM 646 O3 SO4 77 -10.530 13.790 7.470 1.00 0.00 ATOM 647 O3 SO4 77 -9.640 13.030 5.430 1.00 0.00 ATOM 648 O4 SO4 77 -8.650 15.090 7.690 1.00 0.00 ATOM 649 O4 SO4 77 -8.490 12.860 7.590 1.00 0.00 ATOM 650 C ACT 80 -14.900 33.440 4.740 1.00 0.00 ATOM 651 C ACT 80 -14.420 31.170 6.910 1.00 0.00 ATOM 652 C ACT 80 -14.540 31.030 6.880 1.00 0.00 ATOM 653 O ACT 80 -16.130 33.900 4.730 1.00 0.00 ATOM 654 O ACT 80 -13.190 30.820 7.380 1.00 0.00 ATOM 655 O ACT 80 -14.990 32.240 6.840 1.00 0.00 ATOM 656 OXT ACT 80 -14.130 33.890 3.870 1.00 0.00 ATOM 657 OXT ACT 80 -15.280 31.160 7.800 1.00 0.00 ATOM 658 OXT ACT 80 -13.340 30.790 7.070 1.00 0.00 ATOM 659 CH3 ACT 80 -14.420 32.560 5.850 1.00 0.00 ATOM 660 CH3 ACT 80 -14.850 30.250 5.760 1.00 0.00 ATOM 661 CH3 ACT 80 -15.560 29.900 7.060 1.00 0.00 ATOM 662 H1 ACT 80 -15.160 32.330 6.420 1.00 0.00 ATOM 663 H1 ACT 80 -14.170 30.240 5.080 1.00 0.00 ATOM 664 H1 ACT 80 -16.440 30.230 6.870 1.00 0.00 ATOM 665 H2 ACT 80 -13.760 33.030 6.370 1.00 0.00 ATOM 666 H2 ACT 80 -15.670 30.570 5.380 1.00 0.00 ATOM 667 H2 ACT 80 -15.530 29.590 7.970 1.00 0.00 ATOM 668 H3 ACT 80 -14.040 31.760 5.490 1.00 0.00 ATOM 669 H3 ACT 80 -14.970 29.360 6.090 1.00 0.00 ATOM 670 H3 ACT 80 -15.350 29.180 6.460 1.00 0.00 ATOM 671 O HOH 1001 -0.550 5.880 4.300 1.00 0.00 ATOM 672 O HOH 1002 -11.600 30.460 7.940 1.00 0.00 ATOM 673 O HOH 1002 -15.100 33.300 1.810 1.00 0.00 ATOM 674 O HOH 1003 0.820 18.870 7.480 1.00 0.00 ATOM 675 O HOH 1004 -14.090 23.270 8.270 1.00 0.00 ATOM 676 O HOH 1005 -9.690 18.840 -3.490 1.00 0.00 ATOM 677 O HOH 1006 -6.010 20.260 7.550 1.00 0.00 ATOM 678 O HOH 1007 -15.080 13.470 -5.430 1.00 0.00 ATOM 679 O HOH 1008 -0.430 15.880 4.970 1.00 0.00 ATOM 680 O HOH 1009 -12.240 18.320 -2.980 1.00 0.00 ATOM 681 O HOH 1010 -8.250 29.240 7.920 1.00 0.00 ATOM 682 O HOH 1011 -19.850 13.740 1.270 1.00 0.00 ATOM 683 O HOH 1012 -0.190 18.940 -5.280 1.00 0.00 ATOM 684 O HOH 1013 -0.620 7.040 0.400 1.00 0.00 ATOM 685 O HOH 1014 -16.480 18.570 7.440 1.00 0.00 ATOM 686 O HOH 1015 -8.110 31.590 4.200 1.00 0.00 ATOM 687 O HOH 1016 -4.950 6.420 5.630 1.00 0.00 ATOM 688 O HOH 1017 1.070 11.300 -0.700 1.00 0.00 ATOM 689 O HOH 1018 -7.880 20.180 -1.840 1.00 0.00 ATOM 690 O HOH 1019 -8.790 32.550 1.610 1.00 0.00 ATOM 691 O HOH 1020 -7.960 25.730 9.960 1.00 0.00 ATOM 692 O HOH 1021 -2.300 12.670 11.240 1.00 0.00 ATOM 693 O HOH 1022 -1.680 25.950 8.830 1.00 0.00 ATOM 694 O HOH 1023 -3.000 4.310 5.860 1.00 0.00 ATOM 695 O HOH 1024 -19.080 13.500 4.000 1.00 0.00 ATOM 696 O HOH 1025 0.280 10.140 9.220 1.00 0.00 ATOM 697 O HOH 1026 -12.420 14.450 10.060 1.00 0.00 ATOM 698 O HOH 1027 1.250 28.290 7.090 1.00 0.00 ATOM 699 O HOH 1028 -13.590 15.290 -6.220 1.00 0.00 ATOM 700 O HOH 1029 -7.850 22.400 -3.430 1.00 0.00 ATOM 701 O HOH 1030 -13.400 19.390 -5.200 1.00 0.00 ATOM 702 O HOH 1031 0.250 17.100 9.430 1.00 0.00 ATOM 703 O HOH 1032 1.040 12.760 -3.150 1.00 0.00 ATOM 704 O HOH 1033 3.430 19.850 7.600 1.00 0.00 ATOM 705 O HOH 1034 -14.760 20.660 8.330 1.00 0.00 ATOM 706 O HOH 1035 0.570 21.250 -6.830 1.00 0.00 ATOM 707 O HOH 1036 -0.530 14.950 -3.540 1.00 0.00 ATOM 708 O HOH 1037 -7.610 17.050 -4.660 1.00 0.00 ATOM 709 O HOH 1038 -8.990 24.640 -3.150 1.00 0.00 ATOM 710 O HOH 1039 -21.420 24.470 7.460 1.00 0.00 ATOM 711 O HOH 1040 -18.170 9.210 3.860 1.00 0.00 ATOM 712 O HOH 1041 -9.690 32.210 6.290 1.00 0.00 ATOM 713 O HOH 1042 -11.100 20.710 7.990 1.00 0.00 ATOM 714 O HOH 1043 -5.900 5.760 7.690 1.00 0.00 ATOM 715 O HOH 1044 -16.030 19.580 -6.120 1.00 0.00 ATOM 716 O HOH 1045 -19.870 18.200 -1.490 1.00 0.00 ATOM 717 O HOH 1046 -5.490 21.040 -4.590 1.00 0.00 ATOM 718 O HOH 1047 -20.200 13.310 -2.710 1.00 0.00 ATOM 719 O HOH 1048 -9.450 20.710 -5.550 1.00 0.00 ATOM 720 O HOH 1049 -16.750 29.010 9.480 1.00 0.00 ATOM 721 O HOH 1050 -1.380 29.660 9.480 1.00 0.00 ATOM 722 O HOH 1051 -21.250 18.270 8.360 1.00 0.00 ATOM 723 O HOH 1052 -18.840 16.740 -6.800 1.00 0.00 ATOM 724 O HOH 1053 -11.020 34.250 1.990 1.00 0.00 ATOM 725 O HOH 1054 -11.450 25.190 -5.160 1.00 0.00 ATOM 726 O HOH 1055 -18.540 14.850 -4.260 1.00 0.00 ATOM 727 O HOH 1056 -14.140 34.780 8.210 1.00 0.00 ATOM 728 O HOH 1057 -5.490 31.340 6.880 1.00 0.00 ATOM 729 O HOH 1058 -8.690 30.140 9.980 1.00 0.00 ATOM 730 O HOH 1059 -1.860 22.590 -6.800 1.00 0.00 ATOM 731 O HOH 1060 -13.000 33.170 0.000 1.00 0.00 TER ENDMDL