REMARK Accelrys Discovery Studio PDB File

REMARK Accelrys Discovery Studio PDB file

REMARK Created: Tue Oct 05 07:17:18 Central Daylight Time 2010

SSBOND 1 CYS 64 CYS 91

SSBOND 2 CYS 403 CYS 518

SSBOND 3 CYS 255 CYS 266

ATOM 1 N ASP 1 12.900 49.860 56.460 1.00 0.00 N1+

ATOM 2 CA ASP 1 13.250 49.940 55.030 1.00 0.00 C

ATOM 3 C ASP 1 13.880 48.620 54.580 1.00 0.00 C

ATOM 4 O ASP 1 14.490 47.920 55.400 1.00 0.00 O

ATOM 5 CB ASP 1 14.260 51.080 54.880 1.00 0.00 C

ATOM 6 CG ASP 1 14.830 51.330 53.500 1.00 0.00 C

ATOM 7 OD1 ASP 1 14.130 51.060 52.500 1.00 0.00 O

ATOM 8 OD2 ASP 1 16.000 51.740 53.470 1.00 0.00 O

ATOM 9 H1 ASP 1 12.660 50.760 56.810 1.00 0.00 H

ATOM 10 H2 ASP 1 12.130 49.230 56.600 1.00 0.00 H

ATOM 11 H3 ASP 1 13.690 49.520 56.970 1.00 0.00 H

ATOM 12 N ASP 2 13.810 48.340 53.280 1.00 0.00 N

ATOM 13 CA ASP 2 14.480 47.190 52.630 1.00 0.00 C

ATOM 14 C ASP 2 16.010 47.270 52.770 1.00 0.00 C

ATOM 15 O ASP 2 16.700 46.260 52.940 1.00 0.00 O

ATOM 16 CB ASP 2 14.080 47.150 51.150 1.00 0.00 C

ATOM 17 CG ASP 2 12.600 46.790 50.950 1.00 0.00 C

ATOM 18 OD1 ASP 2 12.320 45.570 50.900 1.00 0.00 O

ATOM 19 OD2 ASP 2 11.770 47.720 50.850 1.00 0.00 O

ATOM 20 H ASP 2 13.430 49.010 52.630 1.00 0.00 H

ATOM 21 N LEU 3 16.510 48.500 52.890 1.00 0.00 N

ATOM 22 CA LEU 3 17.960 48.780 52.970 1.00 0.00 C

ATOM 23 C LEU 3 18.510 48.910 54.400 1.00 0.00 C

ATOM 24 O LEU 3 19.640 49.360 54.590 1.00 0.00 O

ATOM 25 CB LEU 3 18.240 50.030 52.150 1.00 0.00 C

ATOM 26 CG LEU 3 17.910 49.840 50.660 1.00 0.00 C

ATOM 27 CD1 LEU 3 16.470 50.230 50.290 1.00 0.00 C

ATOM 28 CD2 LEU 3 18.880 50.660 49.860 1.00 0.00 C

ATOM 29 H LEU 3 15.950 49.330 52.800 1.00 0.00 H

ATOM 30 N VAL 4 17.860 48.220 55.320 1.00 0.00 N

ATOM 31 CA VAL 4 18.290 48.210 56.740 1.00 0.00 C

ATOM 32 C VAL 4 18.790 46.800 57.080 1.00 0.00 C

ATOM 33 O VAL 4 18.190 45.800 56.710 1.00 0.00 O

ATOM 34 CB VAL 4 17.180 48.690 57.690 1.00 0.00 C

ATOM 35 CG1 VAL 4 17.640 48.680 59.150 1.00 0.00 C

ATOM 36 CG2 VAL 4 16.740 50.120 57.370 1.00 0.00 C

ATOM 37 H VAL 4 17.100 47.620 55.100 1.00 0.00 H

ATOM 38 N ILE 5 20.010 46.810 57.610 1.00 0.00 N

ATOM 39 CA ILE 5 20.650 45.620 58.190 1.00 0.00 C

ATOM 40 C ILE 5 20.960 45.920 59.670 1.00 0.00 C

ATOM 41 O ILE 5 21.400 47.010 60.020 1.00 0.00 O

ATOM 42 CB ILE 5 21.910 45.200 57.390 1.00 0.00 C

ATOM 43 CG1 ILE 5 21.450 44.640 56.040 1.00 0.00 C

ATOM 44 CG2 ILE 5 22.780 44.160 58.120 1.00 0.00 C

ATOM 45 CD ILE 5 22.560 44.410 55.010 1.00 0.00 C

ATOM 46 H ILE 5 20.530 47.660 57.690 1.00 0.00 H

ATOM 47 N ASN 6 20.630 44.940 60.490 1.00 0.00 N

ATOM 48 CA ASN 6 20.980 44.970 61.920 1.00 0.00 C

ATOM 49 C ASN 6 22.300 44.240 62.140 1.00 0.00 C

ATOM 50 O ASN 6 22.450 43.060 61.810 1.00 0.00 O

ATOM 51 CB ASN 6 19.860 44.330 62.740 1.00 0.00 C

ATOM 52 CG ASN 6 19.840 44.840 64.170 1.00 0.00 C

ATOM 53 ND2 ASN 6 18.790 44.510 64.870 1.00 0.00 N

ATOM 54 OD1 ASN 6 20.720 45.530 64.670 1.00 0.00 O

ATOM 55 H ASN 6 20.110 44.130 60.180 1.00 0.00 H

ATOM 56 1HD2 ASN 6 18.080 43.940 64.470 1.00 0.00 H

ATOM 57 2HD2 ASN 6 18.840 44.640 65.860 1.00 0.00 H

ATOM 58 N THR 7 23.300 45.030 62.520 1.00 0.00 N

ATOM 59 CA THR 7 24.630 44.520 62.880 1.00 0.00 C

ATOM 60 C THR 7 24.690 44.360 64.410 1.00 0.00 C

ATOM 61 O THR 7 23.790 44.770 65.130 1.00 0.00 O

ATOM 62 CB THR 7 25.790 45.430 62.400 1.00 0.00 C

ATOM 63 CG2 THR 7 25.690 45.750 60.900 1.00 0.00 C

ATOM 64 OG1 THR 7 25.930 46.630 63.170 1.00 0.00 O

ATOM 65 H THR 7 23.150 46.010 62.700 1.00 0.00 H

ATOM 66 HG1 THR 7 26.640 47.200 62.720 1.00 0.00 H

ATOM 67 N THR 8 25.750 43.720 64.890 1.00 0.00 N

ATOM 68 CA THR 8 26.010 43.540 66.340 1.00 0.00 C

ATOM 69 C THR 8 26.070 44.900 67.060 1.00 0.00 C

ATOM 70 O THR 8 25.680 45.010 68.230 1.00 0.00 O

ATOM 71 CB THR 8 27.320 42.760 66.560 1.00 0.00 C

ATOM 72 CG2 THR 8 27.330 42.060 67.920 1.00 0.00 C

ATOM 73 OG1 THR 8 27.470 41.800 65.520 1.00 0.00 O

ATOM 74 H THR 8 26.420 43.250 64.300 1.00 0.00 H

ATOM 75 HG1 THR 8 28.060 41.000 65.800 1.00 0.00 H

ATOM 76 N HIS 9 26.600 45.900 66.370 1.00 0.00 N

ATOM 77 CA HIS 9 26.680 47.300 66.860 1.00 0.00 C

ATOM 78 C HIS 9 25.340 48.060 66.800 1.00 0.00 C

ATOM 79 O HIS 9 25.130 48.980 67.590 1.00 0.00 O

ATOM 80 CB HIS 9 27.730 48.090 66.090 1.00 0.00 C

ATOM 81 CG HIS 9 29.180 47.680 66.330 1.00 0.00 C

ATOM 82 CD2 HIS 9 29.990 47.130 65.440 1.00 0.00 C

ATOM 83 ND1 HIS 9 29.910 48.000 67.400 1.00 0.00 N

ATOM 84 CE1 HIS 9 31.160 47.630 67.160 1.00 0.00 C

ATOM 85 NE2 HIS 9 31.220 47.100 65.950 1.00 0.00 N

ATOM 86 H HIS 9 26.940 45.760 65.440 1.00 0.00 H

ATOM 87 HE2 HIS 9 32.050 46.770 65.490 1.00 0.00 H

ATOM 88 N GLY 10 24.550 47.780 65.770 1.00 0.00 N

ATOM 89 CA GLY 10 23.190 48.320 65.620 1.00 0.00 C

ATOM 90 C GLY 10 22.710 48.310 64.160 1.00 0.00 C

ATOM 91 O GLY 10 23.310 47.710 63.280 1.00 0.00 O

ATOM 92 H GLY 10 24.850 47.190 65.010 1.00 0.00 H

ATOM 93 N LYS 11 21.690 49.120 63.900 1.00 0.00 N

ATOM 94 CA LYS 11 21.060 49.170 62.570 1.00 0.00 C

ATOM 95 C LYS 11 21.740 50.200 61.640 1.00 0.00 C

ATOM 96 O LYS 11 22.180 51.270 62.060 1.00 0.00 O

ATOM 97 CB LYS 11 19.560 49.440 62.700 1.00 0.00 C

ATOM 98 CG LYS 11 18.860 48.290 63.430 1.00 0.00 C

ATOM 99 CD LYS 11 17.370 48.570 63.690 1.00 0.00 C

ATOM 100 CE LYS 11 16.480 48.210 62.500 1.00 0.00 C

ATOM 101 NZ LYS 11 15.090 48.640 62.750 1.00 0.00 N1+

ATOM 102 H LYS 11 21.270 49.700 64.620 1.00 0.00 H

ATOM 103 HZ1 LYS 11 14.500 48.350 62.000 1.00 0.00 H

ATOM 104 HZ2 LYS 11 14.760 48.240 63.600 1.00 0.00 H

ATOM 105 HZ3 LYS 11 15.070 49.650 62.810 1.00 0.00 H

ATOM 106 N VAL 12 21.960 49.730 60.420 1.00 0.00 N

ATOM 107 CA VAL 12 22.510 50.550 59.310 1.00 0.00 C

ATOM 108 C VAL 12 21.570 50.580 58.100 1.00 0.00 C

ATOM 109 O VAL 12 20.970 49.560 57.740 1.00 0.00 O

ATOM 110 CB VAL 12 23.930 50.100 58.870 1.00 0.00 C

ATOM 111 CG1 VAL 12 24.950 50.400 59.970 1.00 0.00 C

ATOM 112 CG2 VAL 12 24.020 48.630 58.450 1.00 0.00 C

ATOM 113 H VAL 12 21.780 48.770 60.200 1.00 0.00 H

ATOM 114 N GLN 13 21.470 51.760 57.510 1.00 0.00 N

ATOM 115 CA GLN 13 20.690 51.980 56.270 1.00 0.00 C

ATOM 116 C GLN 13 21.650 52.210 55.100 1.00 0.00 C

ATOM 117 O GLN 13 22.500 53.090 55.110 1.00 0.00 O

ATOM 118 CB GLN 13 19.750 53.180 56.420 1.00 0.00 C

ATOM 119 CG GLN 13 18.680 53.190 55.320 1.00 0.00 C

ATOM 120 CD GLN 13 17.820 54.470 55.360 1.00 0.00 C

ATOM 121 NE2 GLN 13 17.310 54.870 54.210 1.00 0.00 N

ATOM 122 OE1 GLN 13 17.440 54.980 56.400 1.00 0.00 O

ATOM 123 H GLN 13 21.860 52.590 57.920 1.00 0.00 H

ATOM 124 1HE2 GLN 13 17.360 54.310 53.370 1.00 0.00 H

ATOM 125 2HE2 GLN 13 16.940 55.790 54.190 1.00 0.00 H

ATOM 126 N GLY 14 21.450 51.370 54.100 1.00 0.00 N

ATOM 127 CA GLY 14 22.180 51.360 52.820 1.00 0.00 C

ATOM 128 C GLY 14 21.370 52.060 51.730 1.00 0.00 C

ATOM 129 O GLY 14 20.250 52.530 51.950 1.00 0.00 O

ATOM 130 H GLY 14 20.710 50.680 54.160 1.00 0.00 H

ATOM 131 N LYS 15 22.050 52.270 50.610 1.00 0.00 N

ATOM 132 CA LYS 15 21.450 52.890 49.410 1.00 0.00 C

ATOM 133 C LYS 15 21.480 51.960 48.190 1.00 0.00 C

ATOM 134 O LYS 15 22.420 51.190 47.990 1.00 0.00 O

ATOM 135 CB LYS 15 22.090 54.240 49.080 1.00 0.00 C

ATOM 136 CG LYS 15 23.600 54.170 48.840 1.00 0.00 C

ATOM 137 CD LYS 15 23.970 55.290 47.880 1.00 0.00 C

ATOM 138 CE LYS 15 25.460 55.300 47.540 1.00 0.00 C

ATOM 139 NZ LYS 15 25.700 56.230 46.430 1.00 0.00 N1+

ATOM 140 H LYS 15 23.040 52.110 50.580 1.00 0.00 H

ATOM 141 HZ1 LYS 15 26.660 56.200 46.130 1.00 0.00 H

ATOM 142 HZ2 LYS 15 25.110 56.010 45.660 1.00 0.00 H

ATOM 143 HZ3 LYS 15 25.470 57.160 46.710 1.00 0.00 H

ATOM 144 N LEU 16 20.400 52.070 47.410 1.00 0.00 N

ATOM 145 CA LEU 16 20.230 51.320 46.150 1.00 0.00 C

ATOM 146 C LEU 16 20.880 52.090 45.000 1.00 0.00 C

ATOM 147 O LEU 16 20.900 53.330 45.000 1.00 0.00 O

ATOM 148 CB LEU 16 18.750 51.080 45.790 1.00 0.00 C

ATOM 149 CG LEU 16 18.020 50.050 46.660 1.00 0.00 C

ATOM 150 CD1 LEU 16 16.550 49.980 46.260 1.00 0.00 C

ATOM 151 CD2 LEU 16 18.650 48.650 46.580 1.00 0.00 C

ATOM 152 H LEU 16 19.700 52.760 47.600 1.00 0.00 H

ATOM 153 N ILE 17 21.690 51.330 44.290 1.00 0.00 N

ATOM 154 CA ILE 17 22.420 51.780 43.090 1.00 0.00 C

ATOM 155 C ILE 17 22.120 50.810 41.950 1.00 0.00 C

ATOM 156 O ILE 17 22.460 49.630 42.030 1.00 0.00 O

ATOM 157 CB ILE 17 23.940 51.850 43.380 1.00 0.00 C

ATOM 158 CG1 ILE 17 24.270 52.730 44.590 1.00 0.00 C

ATOM 159 CG2 ILE 17 24.760 52.260 42.140 1.00 0.00 C

ATOM 160 CD ILE 17 23.900 54.210 44.450 1.00 0.00 C

ATOM 161 H ILE 17 21.840 50.360 44.530 1.00 0.00 H

ATOM 162 N SER 18 21.860 51.440 40.810 1.00 0.00 N

ATOM 163 CA SER 18 21.630 50.760 39.530 1.00 0.00 C

ATOM 164 C SER 18 22.950 50.600 38.760 1.00 0.00 C

ATOM 165 O SER 18 23.690 51.550 38.510 1.00 0.00 O

ATOM 166 CB SER 18 20.600 51.560 38.740 1.00 0.00 C

ATOM 167 OG SER 18 21.120 52.870 38.490 1.00 0.00 O

ATOM 168 H SER 18 21.700 52.420 40.790 1.00 0.00 H

ATOM 169 HG SER 18 20.370 53.500 38.230 1.00 0.00 H

ATOM 170 N VAL 19 23.320 49.340 38.590 1.00 0.00 N

ATOM 171 CA VAL 19 24.580 48.910 37.940 1.00 0.00 C

ATOM 172 C VAL 19 24.270 47.870 36.850 1.00 0.00 C

ATOM 173 O VAL 19 23.700 46.820 37.130 1.00 0.00 O

ATOM 174 CB VAL 19 25.570 48.340 38.990 1.00 0.00 C

ATOM 175 CG1 VAL 19 26.910 47.920 38.370 1.00 0.00 C

ATOM 176 CG2 VAL 19 25.860 49.350 40.100 1.00 0.00 C

ATOM 177 H VAL 19 22.700 48.600 38.860 1.00 0.00 H

ATOM 178 N LEU 20 24.590 48.230 35.600 1.00 0.00 N

ATOM 179 CA LEU 20 24.440 47.350 34.420 1.00 0.00 C

ATOM 180 C LEU 20 23.030 46.730 34.250 1.00 0.00 C

ATOM 181 O LEU 20 22.890 45.550 33.940 1.00 0.00 O

ATOM 182 CB LEU 20 25.510 46.240 34.420 1.00 0.00 C

ATOM 183 CG LEU 20 26.950 46.730 34.240 1.00 0.00 C

ATOM 184 CD1 LEU 20 27.920 45.600 34.560 1.00 0.00 C

ATOM 185 CD2 LEU 20 27.190 47.250 32.820 1.00 0.00 C

ATOM 186 H LEU 20 24.910 49.170 35.400 1.00 0.00 H

ATOM 187 N GLY 21 22.020 47.580 34.430 1.00 0.00 N

ATOM 188 CA GLY 21 20.590 47.180 34.370 1.00 0.00 C

ATOM 189 C GLY 21 20.210 46.090 35.390 1.00 0.00 C

ATOM 190 O GLY 21 19.770 45.000 35.010 1.00 0.00 O

ATOM 191 H GLY 21 22.180 48.570 34.490 1.00 0.00 H

ATOM 192 N GLY 22 20.770 46.290 36.570 1.00 0.00 N

ATOM 193 CA GLY 22 20.510 45.540 37.800 1.00 0.00 C

ATOM 194 C GLY 22 20.800 46.470 38.980 1.00 0.00 C

ATOM 195 O GLY 22 21.230 47.610 38.790 1.00 0.00 O

ATOM 196 H GLY 22 21.430 47.030 36.700 1.00 0.00 H

ATOM 197 N GLU 23 20.720 45.910 40.170 1.00 0.00 N

ATOM 198 CA GLU 23 20.880 46.690 41.410 1.00 0.00 C

ATOM 199 C GLU 23 21.900 46.130 42.400 1.00 0.00 C

ATOM 200 O GLU 23 22.160 44.920 42.460 1.00 0.00 O

ATOM 201 CB GLU 23 19.510 46.860 42.060 1.00 0.00 C

ATOM 202 CG GLU 23 18.690 47.940 41.350 1.00 0.00 C

ATOM 203 CD GLU 23 18.530 49.160 42.250 1.00 0.00 C

ATOM 204 OE1 GLU 23 18.050 48.960 43.390 1.00 0.00 O

ATOM 205 OE2 GLU 23 18.820 50.280 41.780 1.00 0.00 O

ATOM 206 H GLU 23 20.490 44.950 40.300 1.00 0.00 H

ATOM 207 N VAL 24 22.570 47.070 43.060 1.00 0.00 N

ATOM 208 CA VAL 24 23.540 46.820 44.140 1.00 0.00 C

ATOM 209 C VAL 24 23.160 47.730 45.320 1.00 0.00 C

ATOM 210 O VAL 24 22.910 48.920 45.150 1.00 0.00 O

ATOM 211 CB VAL 24 24.990 47.100 43.700 1.00 0.00 C

ATOM 212 CG1 VAL 24 26.010 46.810 44.800 1.00 0.00 C

ATOM 213 CG2 VAL 24 25.380 46.270 42.470 1.00 0.00 C

ATOM 214 H VAL 24 22.420 48.040 42.830 1.00 0.00 H

ATOM 215 N ARG 25 23.270 47.170 46.520 1.00 0.00 N

ATOM 216 CA ARG 25 23.120 47.960 47.750 1.00 0.00 C

ATOM 217 C ARG 25 24.500 48.240 48.340 1.00 0.00 C

ATOM 218 O ARG 25 25.340 47.360 48.510 1.00 0.00 O

ATOM 219 CB ARG 25 22.160 47.260 48.720 1.00 0.00 C

ATOM 220 CG ARG 25 22.080 47.990 50.070 1.00 0.00 C

ATOM 221 CD ARG 25 20.800 47.690 50.850 1.00 0.00 C

ATOM 222 NE ARG 25 20.460 46.260 50.890 1.00 0.00 N

ATOM 223 CZ ARG 25 19.310 45.730 50.430 1.00 0.00 C

ATOM 224 NH1 ARG 25 18.360 46.470 49.860 1.00 0.00 N

ATOM 225 NH2 ARG 25 19.090 44.430 50.630 1.00 0.00 N

ATOM 226 H ARG 25 23.540 46.210 46.650 1.00 0.00 H

ATOM 227 HE ARG 25 21.120 45.650 51.330 1.00 0.00 H

ATOM 228 1HH1 ARG 25 18.490 47.460 49.760 1.00 0.00 H

ATOM 229 2HH1 ARG 25 17.510 46.050 49.540 1.00 0.00 H

ATOM 230 1HH2 ARG 25 19.760 43.880 51.110 1.00 0.00 H

ATOM 231 2HH2 ARG 25 18.240 44.000 50.280 1.00 0.00 H

ATOM 232 N ALA 26 24.680 49.530 48.590 1.00 0.00 N

ATOM 233 CA ALA 26 25.930 50.070 49.140 1.00 0.00 C

ATOM 234 C ALA 26 25.690 50.680 50.520 1.00 0.00 C

ATOM 235 O ALA 26 24.750 51.450 50.730 1.00 0.00 O

ATOM 236 CB ALA 26 26.490 51.130 48.180 1.00 0.00 C

ATOM 237 H ALA 26 23.940 50.190 48.440 1.00 0.00 H

ATOM 238 N PHE 27 26.520 50.230 51.450 1.00 0.00 N

ATOM 239 CA PHE 27 26.590 50.730 52.830 1.00 0.00 C

ATOM 240 C PHE 27 27.960 51.390 53.000 1.00 0.00 C