Mercurial > repos > chemteam > md_converter
diff test-data/str2.pdb @ 4:1c25c23ff450 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/mdfileconverter commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
| author | chemteam |
|---|---|
| date | Wed, 20 Nov 2019 11:16:29 -0500 |
| parents | acce5039ece7 |
| children |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/str2.pdb Wed Nov 20 11:16:29 2019 -0500 @@ -0,0 +1,737 @@ +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