TESTREAD Read in a PDB file, extract information. Reading PDB file : 1crn.pdb ReadPDB: Number of text lines 426 The highest residue index was 46 Number of residues read was 46 The highest atom index was 327 Number of atoms read was 327 Number of chains was 1 Number of atom items lost 0 PRTATM entries: Residue, PRTATM(I,*) 1 1 2 3 4 5 6 7 2 8 9 10 11 12 13 14 3 15 16 17 18 19 20 4 21 22 23 24 25 26 5 27 28 29 30 31 32 33 6 34 35 36 37 38 39 7 40 41 42 43 44 45 46 47 8 48 49 50 51 52 53 54 9 55 56 57 58 59 10 60 61 62 63 64 65 66 67 68 69 70 11 71 72 73 74 75 76 12 77 78 79 80 81 82 83 84 13 85 86 87 88 89 90 91 92 93 94 95 14 96 97 98 99 100 101 102 103 15 104 105 106 107 108 109 110 16 111 112 113 114 115 116 17 117 118 119 120 121 122 123 124 125 126 127 18 128 129 130 131 132 133 134 135 19 136 137 138 139 140 141 142 20 143 144 145 146 21 147 148 149 150 151 152 153 22 154 155 156 157 158 159 160 23 161 162 163 164 165 166 167 168 169 24 170 171 172 173 174 25 175 176 177 178 179 180 181 182 26 183 184 185 186 187 188 27 189 190 191 192 193 28 194 195 196 197 198 199 200 29 201 202 203 204 205 206 207 208 209 210 211 212 30 213 214 215 216 217 218 219 31 220 221 222 223 32 224 225 226 227 228 229 33 230 231 232 233 234 235 236 237 34 238 239 240 241 242 243 244 245 35 246 247 248 249 250 251 252 253 36 254 255 256 257 258 259 260 37 261 262 263 264 38 265 266 267 268 269 39 270 271 272 273 274 275 276 40 277 278 279 280 281 282 41 283 284 285 286 287 288 289 42 290 291 292 293 43 294 295 296 297 298 299 300 301 44 302 303 304 305 306 307 308 309 310 311 312 313 45 314 315 316 317 318 46 319 320 321 322 323 324 325 326 327 Atom ResName Residue Atomic XYZ coordinates: 1 THR 1 17.0470 14.0990 3.62500 2 THR 1 16.9670 12.7840 4.33800 3 THR 1 15.6850 12.7550 5.13300 4 THR 1 15.2680 13.8250 5.59400 5 THR 1 18.1700 12.7030 5.33700 6 THR 1 19.3340 12.8290 4.46300 7 THR 1 18.1500 11.5460 6.30400 8 THR 2 15.1150 11.5550 5.26500 9 THR 2 13.8560 11.4690 6.06600 10 THR 2 14.1640 10.7850 7.37900 11 THR 2 14.9930 9.86200 7.44300 12 THR 2 12.7320 10.7110 5.26100 13 THR 2 13.3080 9.43900 4.92600 14 THR 2 12.4840 11.4420 3.89500 15 CYS 3 13.4880 11.2410 8.41700 16 CYS 3 13.6600 10.7070 9.78700 17 CYS 3 12.2690 10.4310 10.3230 18 CYS 3 11.3930 11.3080 10.1850 19 CYS 3 14.3680 11.7480 10.6910 20 CYS 3 15.8850 12.4260 10.0160 21 CYS 4 12.0190 9.27200 10.9280 22 CYS 4 10.6460 8.99100 11.4080 23 CYS 4 10.6540 8.79300 12.9190 24 CYS 4 11.6590 8.29600 13.4910 25 CYS 4 10.0570 7.75200 10.6820 26 CYS 4 9.83700 8.01800 8.90400 27 PRO 5 9.56100 9.10800 13.5630 28 PRO 5 9.44800 9.03400 15.0120 29 PRO 5 9.28800 7.67000 15.6060 30 PRO 5 9.49000 7.51900 16.8190 31 PRO 5 8.23000 9.95700 15.3450 32 PRO 5 7.33800 9.78600 14.1140 33 PRO 5 8.36600 9.80400 12.9580 34 SER 6 8.87500 6.68600 14.7960 35 SER 6 8.67300 5.31400 15.2790 36 SER 6 8.75300 4.37600 14.0830 37 SER 6 8.72600 4.85800 12.9230 38 SER 6 7.34000 5.12100 15.9960 39 SER 6 6.27400 5.22000 15.0310 40 ILE 7 8.88100 3.07500 14.3580 41 ILE 7 8.91200 2.08300 13.2580 42 ILE 7 7.58100 2.09000 12.5060 43 ILE 7 7.67000 2.03100 11.2450 44 ILE 7 9.20700 0.677000 13.9240 45 ILE 7 10.7140 0.702000 14.3120 46 ILE 7 8.81100 -0.477000 12.9690 47 ILE 7 11.1850 -0.516000 15.1420 48 VAL 8 6.45800 2.16200 13.1590 49 VAL 8 5.14500 2.20900 12.4530 50 VAL 8 5.11500 3.37900 11.4610 51 VAL 8 4.66400 3.26800 10.3430 52 VAL 8 3.99500 2.35400 13.4780 53 VAL 8 2.71600 2.89100 12.8690 54 VAL 8 3.75800 1.03200 14.2080 55 ALA 9 5.60600 4.54600 11.9410 56 ALA 9 5.59800 5.76700 11.0820 57 ALA 9 6.44100 5.52700 9.85000 58 ALA 9 6.05200 5.93300 8.74400 59 ALA 9 6.02200 6.97700 11.8910 60 ARG 10 7.64700 4.90900 10.0050 61 ARG 10 8.49600 4.60900 8.83700 62 ARG 10 7.79800 3.60900 7.87600 63 ARG 10 7.87800 3.77800 6.65100 64 ARG 10 9.84700 4.02000 9.30500 65 ARG 10 10.7520 3.60700 8.14900 66 ARG 10 11.2260 4.69900 7.24400 67 ARG 10 12.1430 5.57100 8.03500 68 ARG 10 12.7580 6.60900 7.44300 69 ARG 10 12.5390 6.93200 6.15800 70 ARG 10 13.6010 7.32200 8.20200 71 SER 11 7.18600 2.58200 8.44500 72 SER 11 6.50000 1.58400 7.56500 73 SER 11 5.38200 2.31300 6.77300 74 SER 11 5.21300 2.01600 5.55700 75 SER 11 5.90800 0.462000 8.40000 76 SER 11 6.99000 -0.272000 9.01200 77 ASN 12 4.64800 3.18200 7.44600 78 ASN 12 3.54500 3.93500 6.75100 79 ASN 12 4.10700 4.85100 5.69100 80 ASN 12 3.53600 5.00100 4.61700 81 ASN 12 2.66300 4.67700 7.74800 82 ASN 12 1.80200 3.73500 8.61000 83 ASN 12 1.56700 2.61300 8.16500 84 ASN 12 1.39400 4.25200 9.76700 85 PHE 13 5.25900 5.49800 6.00500 86 PHE 13 5.92900 6.35800 5.05500 87 PHE 13 6.30400 5.57800 3.79900 88 PHE 13 6.13600 6.07200 2.65300 89 PHE 13 7.18300 6.99400 5.75400 90 PHE 13 7.88400 8.00600 4.88300 91 PHE 13 8.90600 7.58600 4.02700 92 PHE 13 7.53200 9.37300 4.98300 93 PHE 13 9.56000 8.53900 3.19400 94 PHE 13 8.17600 10.2810 4.14500 95 PHE 13 9.14100 9.84500 3.29200 96 ASN 14 6.90000 4.39000 3.98900 97 ASN 14 7.33100 3.60700 2.79100 98 ASN 14 6.11600 3.21000 1.91500 99 ASN 14 6.24000 3.14400 0.684000 100 ASN 14 8.14500 2.40400 3.24000 101 ASN 14 9.55500 2.85600 3.73000 102 ASN 14 10.0130 3.89500 3.32300 103 ASN 14 10.1200 1.95600 4.53900 104 VAL 15 4.99300 2.92700 2.57100 105 VAL 15 3.78200 2.59900 1.74200 106 VAL 15 3.29600 3.87100 1.00400 107 VAL 15 2.94700 3.81700 -0.189000 108 VAL 15 2.69800 1.95300 2.60800 109 VAL 15 1.38400 1.82600 1.80600 110 VAL 15 3.17400 0.533000 3.00500 111 CYS 16 3.32100 4.98700 1.72000 112 CYS 16 2.89000 6.28500 1.12600 113 CYS 16 3.68700 6.59700 -0.111000 114 CYS 16 3.20000 7.14700 -1.10300 115 CYS 16 3.03900 7.36900 2.24000 116 CYS 16 2.55900 9.01400 1.64900 117 ARG 17 4.99700 6.22700 -0.100000 118 ARG 17 5.89500 6.48900 -1.21300 119 ARG 17 5.73800 5.56000 -2.40900 120 ARG 17 6.22800 5.90100 -3.50700 121 ARG 17 7.37000 6.50700 -0.731000 122 ARG 17 7.71700 7.68700 0.206000 123 ARG 17 7.94900 8.94700 -0.615000 124 ARG 17 9.21200 8.85600 -1.33700 125 ARG 17 9.53700 9.53300 -2.43100 126 ARG 17 8.65900 10.3500 -3.03200 127 ARG 17 10.7930 9.49100 -2.89900 128 LEU 18 5.05100 4.41100 -2.20400 129 LEU 18 4.93300 3.43100 -3.32600 130 LEU 18 4.39700 4.01400 -4.62000 131 LEU 18 4.98800 3.75500 -5.68700 132 LEU 18 4.19600 2.18400 -2.86300 133 LEU 18 4.96000 1.17800 -1.99100 134 LEU 18 3.90700 0.970000E-01 -1.63400 135 LEU 18 6.12900 0.606000 -2.76800 136 PRO 19 3.32900 4.79500 -4.54300 137 PRO 19 2.79200 5.37600 -5.79700 138 PRO 19 3.57300 6.54000 -6.32200 139 PRO 19 3.26000 7.04500 -7.42200 140 PRO 19 1.35800 5.76600 -5.47200 141 PRO 19 1.22300 5.69400 -3.99300 142 PRO 19 2.42100 4.94100 -3.40800 143 GLY 20 4.56500 7.04700 -5.55900 144 GLY 20 5.36600 8.19100 -6.01800 145 GLY 20 5.00700 9.48100 -5.28000 146 GLY 20 5.53500 10.5100 -5.73000 147 THR 21 4.18100 9.43800 -4.26200 148 THR 21 3.76700 10.6090 -3.51300 149 THR 21 5.01700 11.3970 -3.04200 150 THR 21 5.94700 10.7570 -2.52300 151 THR 21 2.99200 10.1880 -2.22500 152 THR 21 2.05100 9.14400 -2.62300 153 THR 21 2.26000 11.3490 -1.55100 154 PRO 22 4.97100 12.7030 -3.17600 155 PRO 22 6.14300 13.5130 -2.69600 156 PRO 22 6.40000 13.2330 -1.22500 157 PRO 22 5.48500 13.0610 -0.382000 158 PRO 22 5.70300 14.9690 -2.92000 159 PRO 22 4.67600 14.8930 -3.99600 160 PRO 22 3.96400 13.5670 -3.81100 161 GLU 23 7.72800 13.2970 -0.921000 162 GLU 23 8.11400 13.1030 0.500000 163 GLU 23 7.42700 14.0730 1.41000 164 GLU 23 7.03600 13.6820 2.54000 165 GLU 23 9.64800 13.2850 0.660000 166 GLU 23 10.4400 12.0930 0.630000E-01 167 GLU 23 11.9410 12.1700 0.391000 168 GLU 23 12.4160 13.2250 0.681000 169 GLU 23 12.5390 11.0700 0.292000 170 ALA 24 7.21200 15.3340 0.966000 171 ALA 24 6.61400 16.3170 1.91300 172 ALA 24 5.21200 15.9360 2.35000 173 ALA 24 4.78200 16.1660 3.49500 174 ALA 24 6.60500 17.6950 1.24600 175 ILE 25 4.44500 15.3180 1.40500 176 ILE 25 3.07400 14.8940 1.75600 177 ILE 25 3.08500 13.6430 2.64500 178 ILE 25 2.31500 13.5230 3.57800 179 ILE 25 2.20400 14.6370 0.462000 180 ILE 25 1.81500 16.0480 -0.129000 181 ILE 25 0.903000 13.8640 0.811000 182 ILE 25 0.756000 16.7610 0.757000 183 CYS 26 4.03200 12.7640 2.31300 184 CYS 26 4.18000 11.5490 3.18700 185 CYS 26 4.63200 11.9440 4.59600 186 CYS 26 4.22700 11.2520 5.54700 187 CYS 26 5.03800 10.5180 2.53900 188 CYS 26 4.34900 9.79400 1.02200 189 ALA 27 5.40800 13.0120 4.69400 190 ALA 27 5.87900 13.5020 6.02600 191 ALA 27 4.69600 13.9080 6.88200 192 ALA 27 4.52800 13.4220 8.02500 193 ALA 27 6.88000 14.6150 5.83000 194 THR 28 3.82700 14.8020 6.35800 195 THR 28 2.69100 15.2210 7.19400 196 THR 28 1.67200 14.1320 7.43400 197 THR 28 0.947000 14.1120 8.46800 198 THR 28 1.98600 16.5200 6.61400 199 THR 28 1.66400 16.2210 5.23000 200 THR 28 2.91400 17.7390 6.70000 201 TYR 29 1.62100 13.1900 6.51100 202 TYR 29 0.715000 12.0450 6.65700 203 TYR 29 1.12500 11.1250 7.81500 204 TYR 29 0.286000 10.6320 8.54500 205 TYR 29 0.755000 11.2290 5.32200 206 TYR 29 -0.203000 10.0440 5.35400 207 TYR 29 -1.54700 10.3370 5.64500 208 TYR 29 0.193000 8.75000 5.10000 209 TYR 29 -2.49600 9.32900 5.67300 210 TYR 29 -0.801000 7.70500 5.15600 211 TYR 29 -2.07900 8.03100 5.43000 212 TYR 29 -3.09700 7.05700 5.45800 213 THR 30 2.47000 10.9840 7.99500 214 THR 30 2.98600 9.99400 8.95000 215 THR 30 3.60900 10.5050 10.2300 216 THR 30 3.76600 9.71500 11.1860 217 THR 30 4.07600 9.10300 8.22500 218 THR 30 5.12500 10.0270 7.82400 219 THR 30 3.49300 8.32400 7.03500 220 GLY 31 3.98400 11.7640 10.2410 221 GLY 31 4.76900 12.3360 11.3600 222 GLY 31 6.25500 12.2430 11.1060 223 GLY 31 7.03700 12.7500 11.9540 224 CYS 32 6.71000 11.6310 9.99200 225 CYS 32 8.14000 11.6940 9.63500 226 CYS 32 8.50000 13.1410 9.20600 227 CYS 32 7.58100 13.9490 8.94400 228 CYS 32 8.50400 10.6860 8.53000 229 CYS 32 8.04800 8.98700 8.88100 230 ILE 33 9.79300 13.4100 9.17300 231 ILE 33 10.2800 14.7600 8.82300 232 ILE 33 11.3460 14.6580 7.74300 233 ILE 33 11.9710 13.5830 7.55200 234 ILE 33 10.7900 15.5350 10.0850 235 ILE 33 12.0590 14.8030 10.6710 236 ILE 33 9.68400 15.6860 11.1380 237 ILE 33 12.7330 15.6760 11.7810 238 ILE 34 11.4900 15.7730 7.03800 239 ILE 34 12.5520 15.8770 6.03600 240 ILE 34 13.5900 16.9170 6.56000 241 ILE 34 13.1680 18.0060 6.94500 242 ILE 34 11.9870 16.3600 4.68100 243 ILE 34 10.9140 15.3380 4.16300 244 ILE 34 13.1310 16.5170 3.62900 245 ILE 34 10.1510 16.0240 2.93800 246 ILE 35 14.8560 16.4930 6.53600 247 ILE 35 15.9300 17.4540 6.94100 248 ILE 35 16.9130 17.5500 5.81900 249 ILE 35 17.0970 16.6600 4.97000 250 ILE 35 16.6220 16.9950 8.28500 251 ILE 35 17.3600 15.6510 8.06700 252 ILE 35 15.5920 16.9740 9.43400 253 ILE 35 18.2980 15.2060 9.21900 254 PRO 36 17.6640 18.6690 5.80600 255 PRO 36 18.6350 18.8610 4.73800 256 PRO 36 19.9250 18.0420 4.94900 257 PRO 36 20.5930 17.7420 3.94500 258 PRO 36 18.9450 20.3640 4.78300 259 PRO 36 18.2380 20.9370 5.90800 260 PRO 36 17.3710 19.9000 6.59600 261 GLY 37 20.1720 17.7300 6.21700 262 GLY 37 21.4520 16.9690 6.51300 263 GLY 37 21.1430 15.4780 6.42700 264 GLY 37 20.1380 15.0230 5.87800 265 ALA 38 22.0550 14.7010 7.03200 266 ALA 38 22.0190 13.2420 7.02000 267 ALA 38 21.9440 12.6280 8.39600 268 ALA 38 21.8690 11.3870 8.43500 269 ALA 38 23.2460 12.6970 6.27500 270 THR 39 21.8940 13.4350 9.43600 271 THR 39 21.9360 12.9110 10.8090 272 THR 39 20.6150 13.1910 11.5210 273 THR 39 20.3570 14.3170 11.9480 274 THR 39 23.1310 13.6010 11.5930 275 THR 39 24.2840 13.4010 10.7090 276 THR 39 23.3400 12.9350 12.9620 277 CYS 40 19.8270 12.1100 11.6420 278 CYS 40 18.5040 12.3120 12.2980 279 CYS 40 18.6840 12.4510 13.7840 280 CYS 40 19.5330 11.7180 14.3620 281 CYS 40 17.5820 11.1170 11.9960 282 CYS 40 17.1990 10.9290 10.2370 283 PRO 41 17.8800 13.2660 14.4260 284 PRO 41 17.9240 13.4210 15.8770 285 PRO 41 17.3920 12.2060 16.5940 286 PRO 41 16.6520 11.3680 16.0330 287 PRO 41 17.0760 14.6580 16.1450 288 PRO 41 16.0980 14.6890 14.9970 289 PRO 41 16.8590 14.1500 13.7790 290 GLY 42 17.7280 12.1240 17.8840 291 GLY 42 17.3340 10.9560 18.6910 292 GLY 42 15.8750 10.6880 18.8710 293 GLY 42 15.4340 9.55000 19.1660 294 ASP 43 15.0360 11.7470 18.7150 295 ASP 43 13.5640 11.5730 18.8360 296 ASP 43 12.9360 11.2270 17.4700 297 ASP 43 11.7200 11.0400 17.4280 298 ASP 43 12.9330 12.7370 19.5800 299 ASP 43 13.1400 14.0940 18.9580 300 ASP 43 14.1090 14.3030 18.2120 301 ASP 43 12.2670 14.9630 19.2650 302 TYR 44 13.7250 11.1740 16.4250 303 TYR 44 13.2570 10.7450 15.0810 304 TYR 44 14.2750 9.68700 14.6120 305 TYR 44 14.9300 9.86200 13.5680 306 TYR 44 13.2000 11.9140 14.0710 307 TYR 44 12.0000 12.8190 14.3990 308 TYR 44 12.1190 13.8530 15.3320 309 TYR 44 10.7750 12.6170 13.7620 310 TYR 44 11.0450 14.6750 15.6100 311 TYR 44 9.67600 13.4330 14.0480 312 TYR 44 9.80200 14.4560 14.9960 313 TYR 44 8.74000 15.2650 15.2690 314 ALA 45 14.3420 8.64000 15.4220 315 ALA 45 15.4450 7.66700 15.2460 316 ALA 45 15.1710 6.53300 14.2800 317 ALA 45 16.0930 5.70500 14.0390 318 ALA 45 15.6800 7.09900 16.6820 319 ASN 46 13.9660 6.50200 13.7390 320 ASN 46 13.5120 5.39500 12.8780 321 ASN 46 13.3110 5.85300 11.4550 322 ASN 46 13.7330 6.92900 11.0260 323 ASN 46 12.2660 4.76900 13.5010 324 ASN 46 12.5380 4.30400 14.9220 325 ASN 46 11.9820 4.84900 15.8860 326 ASN 46 13.4070 3.29800 15.0150 327 ASN 46 12.7030 4.97300 10.7460