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planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit b90c5ab8f15397299e8baf2e903a9911c44d7668
| author | chemteam |
|---|---|
| date | Thu, 06 Jun 2024 07:09:14 +0000 |
| parents | |
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TITLE Georgetown Riga Oslo Madrid Amsterdam Chisinau Stockholm REMARK THIS IS A SIMULATION BOX CRYST1 17.408 18.717 19.156 90.00 90.00 90.00 P 1 1 MODEL 1 ATOM 1 N ARG 1 -1.000 -0.440 0.360 1.00 0.00 ATOM 2 H1 ARG 1 -1.290 0.040 1.190 1.00 0.00 ATOM 3 H2 ARG 1 -1.690 -0.320 -0.350 1.00 0.00 ATOM 4 H3 ARG 1 -0.880 -1.410 0.560 1.00 0.00 ATOM 5 CA ARG 1 0.000 0.000 0.000 1.00 0.00 ATOM 6 HA ARG 1 0.380 0.020 0.920 1.00 0.00 ATOM 7 CB ARG 1 -0.030 -1.000 -1.160 1.00 0.00 ATOM 8 HB1 ARG 1 -0.090 -1.920 -0.780 1.00 0.00 ATOM 9 HB2 ARG 1 0.820 -0.900 -1.680 1.00 0.00 ATOM 10 CG ARG 1 -1.180 -0.810 -2.140 1.00 0.00 ATOM 11 HG1 ARG 1 -1.030 0.010 -2.680 1.00 0.00 ATOM 12 HG2 ARG 1 -2.040 -0.720 -1.630 1.00 0.00 ATOM 13 CD ARG 1 -1.280 -2.010 -3.070 1.00 0.00 ATOM 14 HD1 ARG 1 -1.430 -2.840 -2.520 1.00 0.00 ATOM 15 HD2 ARG 1 -0.440 -2.100 -3.590 1.00 0.00 ATOM 16 NE ARG 1 -2.390 -1.900 -4.020 1.00 0.00 ATOM 17 HE ARG 1 -3.240 -2.370 -3.800 1.00 0.00 ATOM 18 CZ ARG 1 -2.330 -1.230 -5.160 1.00 0.00 ATOM 19 NH1 ARG 1 -1.220 -0.580 -5.500 1.00 0.00 ATOM 20 HH11 ARG 1 -0.420 -0.610 -4.900 1.00 0.00 ATOM 21 HH12 ARG 1 -1.180 -0.080 -6.360 1.00 0.00 ATOM 22 NH2 ARG 1 -3.380 -1.200 -5.970 1.00 0.00 ATOM 23 HH21 ARG 1 -4.220 -1.690 -5.720 1.00 0.00 ATOM 24 HH22 ARG 1 -3.340 -0.690 -6.830 1.00 0.00 ATOM 25 C ARG 1 0.220 1.390 -1.140 1.00 0.00 ATOM 26 O ARG 1 -0.080 2.540 -0.900 1.00 0.00 ATOM 27 N HIS 2 1.370 1.080 -1.690 1.00 0.00 ATOM 28 H HIS 2 1.670 0.130 -1.770 1.00 0.00 ATOM 29 CA HIS 2 2.190 2.190 -2.190 1.00 0.00 ATOM 30 HA HIS 2 1.530 2.710 -2.740 1.00 0.00 ATOM 31 CB HIS 2 2.920 3.160 -1.260 1.00 0.00 ATOM 32 HB1 HIS 2 2.290 3.470 -0.550 1.00 0.00 ATOM 33 HB2 HIS 2 3.240 3.950 -1.780 1.00 0.00 ATOM 34 CG HIS 2 4.110 2.560 -0.580 1.00 0.00 ATOM 35 ND1 HIS 2 4.050 1.740 0.520 1.00 0.00 ATOM 36 CE1 HIS 2 5.290 1.330 0.820 1.00 0.00 ATOM 37 HE1 HIS 2 5.520 0.720 1.570 1.00 0.00 ATOM 38 NE2 HIS 2 6.170 1.850 -0.020 1.00 0.00 ATOM 39 HE2 HIS 2 7.160 1.720 -0.020 1.00 0.00 ATOM 40 CD2 HIS 2 5.430 2.640 -0.900 1.00 0.00 ATOM 41 HD2 HIS 2 5.810 3.170 -1.660 1.00 0.00 ATOM 42 C HIS 2 3.390 1.480 -2.730 1.00 0.00 ATOM 43 O HIS 2 4.390 1.490 -2.050 1.00 0.00 ATOM 44 N TYR 3 3.280 0.770 -3.850 1.00 0.00 ATOM 45 H TYR 3 2.410 0.770 -4.340 1.00 0.00 ATOM 46 CA TYR 3 4.390 0.000 -4.390 1.00 0.00 ATOM 47 HA TYR 3 3.460 -0.200 -4.690 1.00 0.00 ATOM 48 CB TYR 3 4.680 -0.450 -5.820 1.00 0.00 ATOM 49 HB1 TYR 3 3.810 -0.540 -6.310 1.00 0.00 ATOM 50 HB2 TYR 3 5.150 -1.330 -5.800 1.00 0.00 ATOM 51 CG TYR 3 5.540 0.530 -6.570 1.00 0.00 ATOM 52 CD1 TYR 3 4.950 1.550 -7.290 1.00 0.00 ATOM 53 HD1 TYR 3 3.960 1.610 -7.350 1.00 0.00 ATOM 54 CE1 TYR 3 5.720 2.500 -7.940 1.00 0.00 ATOM 55 HE1 TYR 3 5.270 3.230 -8.460 1.00 0.00 ATOM 56 CZ TYR 3 7.090 2.430 -7.880 1.00 0.00 ATOM 57 OH TYR 3 7.820 3.440 -8.480 1.00 0.00 ATOM 58 HH TYR 3 8.790 3.270 -8.360 1.00 0.00 ATOM 59 CE2 TYR 3 7.720 1.410 -7.170 1.00 0.00 ATOM 60 HE2 TYR 3 8.720 1.360 -7.130 1.00 0.00 ATOM 61 CD2 TYR 3 6.930 0.460 -6.520 1.00 0.00 ATOM 62 HD2 TYR 3 7.370 -0.280 -6.010 1.00 0.00 ATOM 63 C TYR 3 5.640 -0.230 -3.350 1.00 0.00 ATOM 64 O TYR 3 6.290 0.640 -2.790 1.00 0.00 ATOM 65 N TYR 4 5.800 -1.540 -3.090 1.00 0.00 ATOM 66 H TYR 4 5.240 -2.140 -3.670 1.00 0.00 ATOM 67 CA TYR 4 6.580 -2.190 -2.190 1.00 0.00 ATOM 68 HA TYR 4 7.070 -1.340 -2.040 1.00 0.00 ATOM 69 CB TYR 4 6.270 -2.630 -0.760 1.00 0.00 ATOM 70 HB1 TYR 4 5.540 -3.320 -0.790 1.00 0.00 ATOM 71 HB2 TYR 4 5.950 -1.840 -0.250 1.00 0.00 ATOM 72 CG TYR 4 7.460 -3.230 -0.030 1.00 0.00 ATOM 73 CD1 TYR 4 8.550 -2.410 0.240 1.00 0.00 ATOM 74 HD1 TYR 4 8.530 -1.450 -0.070 1.00 0.00 ATOM 75 CE1 TYR 4 9.650 -2.890 0.910 1.00 0.00 ATOM 76 HE1 TYR 4 10.420 -2.280 1.100 1.00 0.00 ATOM 77 CZ TYR 4 9.690 -4.210 1.320 1.00 0.00 ATOM 78 OH TYR 4 10.820 -4.660 1.980 1.00 0.00 ATOM 79 HH TYR 4 10.710 -5.630 2.210 1.00 0.00 ATOM 80 CE2 TYR 4 8.630 -5.060 1.080 1.00 0.00 ATOM 81 HE2 TYR 4 8.650 -6.010 1.370 1.00 0.00 ATOM 82 CD2 TYR 4 7.530 -4.540 0.400 1.00 0.00 ATOM 83 HD2 TYR 4 6.760 -5.140 0.200 1.00 0.00 ATOM 84 C TYR 4 7.120 -3.390 -2.910 1.00 0.00 ATOM 85 O TYR 4 6.440 -4.390 -2.900 1.00 0.00 ATOM 86 N LYS 5 8.240 -3.280 -3.610 1.00 0.00 ATOM 87 H LYS 5 8.730 -2.410 -3.610 1.00 0.00 ATOM 88 CA LYS 5 8.780 -4.390 -4.390 1.00 0.00 ATOM 89 HA LYS 5 9.100 -3.570 -4.860 1.00 0.00 ATOM 90 CB LYS 5 9.300 -5.510 -3.490 1.00 0.00 ATOM 91 HB1 LYS 5 9.590 -6.280 -4.070 1.00 0.00 ATOM 92 HB2 LYS 5 8.560 -5.820 -2.890 1.00 0.00 ATOM 93 CG LYS 5 10.480 -5.060 -2.630 1.00 0.00 ATOM 94 HG1 LYS 5 10.240 -4.210 -2.170 1.00 0.00 ATOM 95 HG2 LYS 5 11.270 -4.910 -3.230 1.00 0.00 ATOM 96 CD LYS 5 10.870 -6.080 -1.580 1.00 0.00 ATOM 97 HD1 LYS 5 11.080 -6.950 -2.030 1.00 0.00 ATOM 98 HD2 LYS 5 10.100 -6.210 -0.950 1.00 0.00 ATOM 99 CE LYS 5 12.090 -5.600 -0.800 1.00 0.00 ATOM 100 HE1 LYS 5 11.920 -4.670 -0.470 1.00 0.00 ATOM 101 HE2 LYS 5 12.880 -5.610 -1.400 1.00 0.00 ATOM 102 NZ LYS 5 12.390 -6.460 0.380 1.00 0.00 ATOM 103 HZ1 LYS 5 13.190 -6.110 0.860 1.00 0.00 ATOM 104 HZ2 LYS 5 11.600 -6.470 1.000 1.00 0.00 ATOM 105 HZ3 LYS 5 12.570 -7.400 0.080 1.00 0.00 ATOM 106 C LYS 5 8.370 -5.410 -5.450 1.00 0.00 ATOM 107 O LYS 5 9.180 -6.030 -6.160 1.00 0.00 ATOM 108 N PHE 6 7.060 -5.600 -5.580 1.00 0.00 ATOM 109 H PHE 6 6.420 -5.090 -5.000 1.00 0.00 ATOM 110 CA PHE 6 6.580 -6.580 -6.580 1.00 0.00 ATOM 111 HA PHE 6 7.370 -6.780 -7.170 1.00 0.00 ATOM 112 CB PHE 6 6.120 -7.980 -6.180 1.00 0.00 ATOM 113 HB1 PHE 6 5.500 -7.900 -5.400 1.00 0.00 ATOM 114 HB2 PHE 6 6.920 -8.520 -5.910 1.00 0.00 ATOM 115 CG PHE 6 5.400 -8.740 -7.270 1.00 0.00 ATOM 116 CD1 PHE 6 6.090 -9.200 -8.380 1.00 0.00 ATOM 117 HD1 PHE 6 7.060 -9.000 -8.480 1.00 0.00 ATOM 118 CE1 PHE 6 5.440 -9.950 -9.360 1.00 0.00 ATOM 119 HE1 PHE 6 5.950 -10.280 -10.150 1.00 0.00 ATOM 120 CZ PHE 6 4.090 -10.240 -9.230 1.00 0.00 ATOM 121 HZ PHE 6 3.620 -10.780 -9.930 1.00 0.00 ATOM 122 CE2 PHE 6 3.390 -9.770 -8.130 1.00 0.00 ATOM 123 HE2 PHE 6 2.410 -9.970 -8.030 1.00 0.00 ATOM 124 CD2 PHE 6 4.050 -9.030 -7.150 1.00 0.00 ATOM 125 HD2 PHE 6 3.540 -8.690 -6.360 1.00 0.00 ATOM 126 C PHE 6 5.390 -5.870 -7.120 1.00 0.00 ATOM 127 O PHE 6 4.380 -5.880 -6.440 1.00 0.00 ATOM 128 N ASN 7 5.500 -5.160 -8.240 1.00 0.00 ATOM 129 H ASN 7 6.370 -5.160 -8.730 1.00 0.00 ATOM 130 CA ASN 7 4.390 -4.390 -8.780 1.00 0.00 ATOM 131 HA ASN 7 4.920 -3.550 -8.650 1.00 0.00 ATOM 132 CB ASN 7 3.960 -4.960 -10.150 1.00 0.00 ATOM 133 HB1 ASN 7 3.320 -5.720 -10.010 1.00 0.00 ATOM 134 HB2 ASN 7 4.770 -5.280 -10.640 1.00 0.00 ATOM 135 CG ASN 7 3.270 -3.910 -11.000 1.00 0.00 ATOM 136 OD1 ASN 7 2.760 -2.900 -10.510 1.00 0.00 ATOM 137 ND2 ASN 7 3.270 -4.150 -12.310 1.00 0.00 ATOM 138 HD21 ASN 7 3.710 -4.980 -12.670 1.00 0.00 ATOM 139 HD22 ASN 7 2.830 -3.500 -12.930 1.00 0.00 ATOM 140 C ASN 7 3.200 -3.850 -8.060 1.00 0.00 ATOM 141 O ASN 7 2.190 -4.530 -8.070 1.00 0.00 ATOM 142 N SER 8 3.310 -2.730 -7.360 1.00 0.00 ATOM 143 H SER 8 4.180 -2.240 -7.360 1.00 0.00 ATOM 144 CA SER 8 2.190 -2.190 -6.580 1.00 0.00 ATOM 145 HA SER 8 3.000 -1.890 -6.080 1.00 0.00 ATOM 146 CB SER 8 0.990 -1.430 -7.140 1.00 0.00 ATOM 147 HB1 SER 8 0.590 -0.840 -6.450 1.00 0.00 ATOM 148 HB2 SER 8 0.300 -2.070 -7.480 1.00 0.00 ATOM 149 OG SER 8 1.390 -0.610 -8.230 1.00 0.00 ATOM 150 HG SER 8 0.590 -0.120 -8.580 1.00 0.00 ATOM 151 C SER 8 1.000 -2.910 -6.040 1.00 0.00 ATOM 152 O SER 8 -0.000 -2.900 -6.730 1.00 0.00 ATOM 153 N THR 9 1.110 -3.610 -4.920 1.00 0.00 ATOM 154 H THR 9 1.980 -3.610 -4.430 1.00 0.00 ATOM 155 CA THR 9 0.000 -4.390 -4.390 1.00 0.00 ATOM 156 HA THR 9 0.410 -4.890 -5.150 1.00 0.00 ATOM 157 CB THR 9 -0.330 -3.800 -3.000 1.00 0.00 ATOM 158 HB THR 9 -0.820 -4.460 -2.440 1.00 0.00 ATOM 159 CG2 THR 9 0.940 -3.350 -2.300 1.00 0.00 ATOM 160 HG21 THR 9 0.720 -2.970 -1.410 1.00 0.00 ATOM 161 HG22 THR 9 1.560 -4.140 -2.190 1.00 0.00 ATOM 162 HG23 THR 9 1.400 -2.650 -2.860 1.00 0.00 ATOM 163 OG1 THR 9 -1.200 -2.670 -3.150 1.00 0.00 ATOM 164 HG1 THR 9 -1.410 -2.290 -2.250 1.00 0.00 ATOM 165 C THR 9 -1.020 -5.450 -4.790 1.00 0.00 ATOM 166 O THR 9 -1.640 -6.160 -3.980 1.00 0.00 ATOM 167 N GLY 10 -1.210 -5.580 -6.100 1.00 0.00 ATOM 168 H GLY 10 -0.700 -5.000 -6.750 1.00 0.00 ATOM 169 CA GLY 10 -2.190 -6.580 -6.580 1.00 0.00 ATOM 170 HA1 GLY 10 -2.950 -6.060 -6.980 1.00 0.00 ATOM 171 HA2 GLY 10 -2.520 -7.060 -5.760 1.00 0.00 ATOM 172 C GLY 10 -1.790 -7.650 -7.600 1.00 0.00 ATOM 173 O GLY 10 -2.600 -8.350 -8.220 1.00 0.00 ATOM 174 N ARG 11 -0.480 -7.770 -7.790 1.00 0.00 ATOM 175 H ARG 11 0.160 -7.200 -7.290 1.00 0.00 ATOM 176 CA ARG 11 0.000 -8.780 -8.780 1.00 0.00 ATOM 177 HA ARG 11 -0.690 -9.440 -9.050 1.00 0.00 ATOM 178 CB ARG 11 0.580 -8.000 -9.970 1.00 0.00 ATOM 179 HB1 ARG 11 0.940 -8.660 -10.620 1.00 0.00 ATOM 180 HB2 ARG 11 1.320 -7.420 -9.630 1.00 0.00 ATOM 181 CG ARG 11 -0.420 -7.100 -10.700 1.00 0.00 ATOM 182 HG1 ARG 11 -0.800 -6.440 -10.060 1.00 0.00 ATOM 183 HG2 ARG 11 -1.160 -7.660 -11.080 1.00 0.00 ATOM 184 CD ARG 11 0.270 -6.360 -11.840 1.00 0.00 ATOM 185 HD1 ARG 11 0.660 -7.020 -12.480 1.00 0.00 ATOM 186 HD2 ARG 11 1.000 -5.790 -11.460 1.00 0.00 ATOM 187 NE ARG 11 -0.610 -5.480 -12.610 1.00 0.00 ATOM 188 HE ARG 11 -0.570 -4.490 -12.420 1.00 0.00 ATOM 189 CZ ARG 11 -1.460 -5.890 -13.550 1.00 0.00 ATOM 190 NH1 ARG 11 -1.560 -7.180 -13.840 1.00 0.00 ATOM 191 HH11 ARG 11 -1.000 -7.850 -13.360 1.00 0.00 ATOM 192 HH12 ARG 11 -2.210 -7.480 -14.550 1.00 0.00 ATOM 193 NH2 ARG 11 -2.190 -5.000 -14.210 1.00 0.00 ATOM 194 HH21 ARG 11 -2.100 -4.030 -14.010 1.00 0.00 ATOM 195 HH22 ARG 11 -2.830 -5.310 -14.920 1.00 0.00 ATOM 196 C ARG 11 1.190 -9.320 -8.060 1.00 0.00 ATOM 197 O ARG 11 2.200 -8.630 -8.070 1.00 0.00 ATOM 198 N HIS 12 1.080 -10.440 -7.360 1.00 0.00 ATOM 199 H HIS 12 0.210 -10.930 -7.360 1.00 0.00 ATOM 200 CA HIS 12 2.190 -10.970 -6.580 1.00 0.00 ATOM 201 HA HIS 12 1.380 -11.340 -6.140 1.00 0.00 ATOM 202 CB HIS 12 3.360 -11.410 -7.470 1.00 0.00 ATOM 203 HB1 HIS 12 4.080 -11.810 -6.890 1.00 0.00 ATOM 204 HB2 HIS 12 3.730 -10.610 -7.940 1.00 0.00 ATOM 205 CG HIS 12 2.970 -12.430 -8.490 1.00 0.00 ATOM 206 ND1 HIS 12 3.580 -12.530 -9.730 1.00 0.00 ATOM 207 CE1 HIS 12 3.000 -13.490 -10.430 1.00 0.00 ATOM 208 HE1 HIS 12 3.250 -13.760 -11.350 1.00 0.00 ATOM 209 NE2 HIS 12 2.040 -14.020 -9.690 1.00 0.00 ATOM 210 HE2 HIS 12 1.440 -14.760 -9.970 1.00 0.00 ATOM 211 CD2 HIS 12 2.000 -13.370 -8.480 1.00 0.00 ATOM 212 HD2 HIS 12 1.380 -13.570 -7.720 1.00 0.00 ATOM 213 C HIS 12 3.220 -10.570 -5.520 1.00 0.00 ATOM 214 O HIS 12 3.830 -11.370 -4.810 1.00 0.00 ATOM 215 N TYR 13 3.400 -9.260 -5.390 1.00 0.00 ATOM 216 H TYR 13 2.900 -8.610 -5.970 1.00 0.00 ATOM 217 CA TYR 13 4.390 -8.780 -4.390 1.00 0.00 ATOM 218 HA TYR 13 5.100 -9.340 -3.970 1.00 0.00 ATOM 219 CB TYR 13 5.820 -9.090 -3.960 1.00 0.00 ATOM 220 HB1 TYR 13 6.140 -8.350 -3.360 1.00 0.00 ATOM 221 HB2 TYR 13 6.400 -9.130 -4.770 1.00 0.00 ATOM 222 CG TYR 13 5.980 -10.380 -3.210 1.00 0.00 ATOM 223 CD1 TYR 13 5.620 -10.470 -1.870 1.00 0.00 ATOM 224 HD1 TYR 13 5.240 -9.670 -1.410 1.00 0.00 ATOM 225 CE1 TYR 13 5.790 -11.650 -1.170 1.00 0.00 ATOM 226 HE1 TYR 13 5.520 -11.700 -0.200 1.00 0.00 ATOM 227 CZ TYR 13 6.320 -12.750 -1.800 1.00 0.00 ATOM 228 OH TYR 13 6.500 -13.910 -1.070 1.00 0.00 ATOM 229 HH TYR 13 6.890 -14.610 -1.660 1.00 0.00 ATOM 230 CE2 TYR 13 6.680 -12.700 -3.140 1.00 0.00 ATOM 231 HE2 TYR 13 7.060 -13.500 -3.590 1.00 0.00 ATOM 232 CD2 TYR 13 6.510 -11.510 -3.840 1.00 0.00 ATOM 233 HD2 TYR 13 6.770 -11.460 -4.800 1.00 0.00 ATOM 234 C TYR 13 3.350 -7.520 -4.150 1.00 0.00 ATOM 235 O TYR 13 2.790 -6.870 -5.030 1.00 0.00 ATOM 236 N HIS 14 3.090 -7.360 -2.850 1.00 0.00 ATOM 237 H HIS 14 3.670 -7.920 -2.250 1.00 0.00 ATOM 238 CA HIS 14 2.190 -6.580 -2.190 1.00 0.00 ATOM 239 HA HIS 14 1.830 -5.790 -2.690 1.00 0.00 ATOM 240 CB HIS 14 0.730 -7.060 -2.150 1.00 0.00 ATOM 241 HB1 HIS 14 0.400 -7.150 -3.090 1.00 0.00 ATOM 242 HB2 HIS 14 0.190 -6.380 -1.660 1.00 0.00 ATOM 243 CG HIS 14 0.540 -8.380 -1.460 1.00 0.00 ATOM 244 ND1 HIS 14 0.620 -9.590 -2.120 1.00 0.00 ATOM 245 CE1 HIS 14 0.410 -10.570 -1.260 1.00 0.00 ATOM 246 HE1 HIS 14 0.420 -11.550 -1.480 1.00 0.00 ATOM 247 NE2 HIS 14 0.190 -10.040 -0.070 1.00 0.00 ATOM 248 HE2 HIS 14 0.010 -10.560 0.770 1.00 0.00 ATOM 249 CD2 HIS 14 0.260 -8.670 -0.160 1.00 0.00 ATOM 250 HD2 HIS 14 0.140 -8.020 0.580 1.00 0.00 ATOM 251 C HIS 14 3.230 -6.350 -0.940 1.00 0.00 ATOM 252 O HIS 14 3.800 -7.220 -0.290 1.00 0.00 ATOM 253 N TYR 15 3.490 -5.040 -0.780 1.00 0.00 ATOM 254 H TYR 15 2.920 -4.440 -1.340 1.00 0.00 ATOM 255 CA TYR 15 4.390 -4.390 -0.000 1.00 0.00 ATOM 256 HA TYR 15 4.650 -5.160 0.580 1.00 0.00 ATOM 257 CB TYR 15 5.820 -3.950 -0.310 1.00 0.00 ATOM 258 HB1 TYR 15 5.790 -3.260 -1.040 1.00 0.00 ATOM 259 HB2 TYR 15 6.340 -4.740 -0.630 1.00 0.00 ATOM 260 CG TYR 15 6.550 -3.360 0.880 1.00 0.00 ATOM 261 CD1 TYR 15 6.820 -4.180 1.960 1.00 0.00 ATOM 262 HD1 TYR 15 6.520 -5.130 1.950 1.00 0.00 ATOM 263 CE1 TYR 15 7.490 -3.700 3.060 1.00 0.00 ATOM 264 HE1 TYR 15 7.680 -4.300 3.830 1.00 0.00 ATOM 265 CZ TYR 15 7.910 -2.380 3.110 1.00 0.00 ATOM 266 OH TYR 15 8.560 -1.920 4.240 1.00 0.00 ATOM 267 HH TYR 15 8.790 -0.960 4.120 1.00 0.00 ATOM 268 CE2 TYR 15 7.660 -1.530 2.050 1.00 0.00 ATOM 269 HE2 TYR 15 7.950 -0.570 2.070 1.00 0.00 ATOM 270 CD2 TYR 15 6.980 -2.050 0.950 1.00 0.00 ATOM 271 HD2 TYR 15 6.790 -1.440 0.180 1.00 0.00 ATOM 272 C TYR 15 3.560 -3.330 0.460 1.00 0.00 ATOM 273 O TYR 15 3.300 -2.420 -0.340 1.00 0.00 ATOM 274 N TYR 16 3.140 -3.350 1.720 1.00 0.00 ATOM 275 H TYR 16 3.410 -4.080 2.340 1.00 0.00 ATOM 276 CA TYR 16 2.190 -2.190 2.190 1.00 0.00 ATOM 277 HA TYR 16 1.970 -1.460 1.550 1.00 0.00 ATOM 278 CB TYR 16 0.750 -2.580 2.560 1.00 0.00 ATOM 279 HB1 TYR 16 0.290 -1.800 2.990 1.00 0.00 ATOM 280 HB2 TYR 16 0.760 -3.350 3.200 1.00 0.00 ATOM 281 CG TYR 16 0.000 -2.990 1.310 1.00 0.00 ATOM 282 CD1 TYR 16 -0.670 -2.030 0.530 1.00 0.00 ATOM 283 HD1 TYR 16 -0.670 -1.080 0.810 1.00 0.00 ATOM 284 CE1 TYR 16 -1.330 -2.420 -0.640 1.00 0.00 ATOM 285 HE1 TYR 16 -1.820 -1.750 -1.200 1.00 0.00 ATOM 286 CZ TYR 16 -1.300 -3.750 -1.000 1.00 0.00 ATOM 287 OH TYR 16 -1.900 -4.240 -2.140 1.00 0.00 ATOM 288 HH TYR 16 -1.740 -5.230 -2.190 1.00 0.00 ATOM 289 CE2 TYR 16 -0.630 -4.680 -0.240 1.00 0.00 ATOM 290 HE2 TYR 16 -0.630 -5.640 -0.520 1.00 0.00 ATOM 291 CD2 TYR 16 0.040 -4.310 0.920 1.00 0.00 ATOM 292 HD2 TYR 16 0.530 -4.990 1.460 1.00 0.00 ATOM 293 C TYR 16 3.020 -1.730 3.260 1.00 0.00 ATOM 294 OC1 TYR 16 3.450 -0.480 3.230 1.00 0.00 ATOM 295 OC2 TYR 16 3.280 -2.540 4.160 1.00 0.00 TER ENDMDL