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pgbarletta/a.pdb

Created June 15, 2022 12:30
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small peptide example
Raw
a.pdb
ATOM 3242 N ALA B 1 49.830 33.030 25.480 1.00 0.00 N
ATOM 3243 H1 ALA B 1 50.530 32.320 25.620 1.00 0.00 H
ATOM 3244 H2 ALA B 1 49.230 32.900 24.680 1.00 0.00 H
ATOM 3245 H3 ALA B 1 50.280 33.940 25.390 1.00 0.00 H
ATOM 3246 CA ALA B 1 48.960 33.020 26.660 1.00 0.00 C
ATOM 3247 HA ALA B 1 49.210 32.120 27.230 1.00 0.00 H
ATOM 3248 CB ALA B 1 49.230 34.200 27.590 1.00 0.00 C
ATOM 3249 HB1 ALA B 1 48.530 34.040 28.410 1.00 0.00 H
ATOM 3250 HB2 ALA B 1 50.260 34.080 27.920 1.00 0.00 H
ATOM 3251 HB3 ALA B 1 49.060 35.140 27.080 1.00 0.00 H
ATOM 3252 C ALA B 1 47.480 32.820 26.360 1.00 0.00 C
ATOM 3253 O ALA B 1 46.890 33.670 25.690 1.00 0.00 O
ATOM 3254 N ALA B 2 46.890 31.710 26.820 1.00 0.00 N
ATOM 3255 H ALA B 2 47.250 31.310 27.670 1.00 0.00 H
ATOM 3256 CA ALA B 2 45.580 31.370 26.290 1.00 0.00 C
ATOM 3257 HA ALA B 2 45.510 31.870 25.330 1.00 0.00 H
ATOM 3258 CB ALA B 2 45.380 29.880 26.030 1.00 0.00 C
ATOM 3259 HB1 ALA B 2 45.910 29.410 25.210 1.00 0.00 H
ATOM 3260 HB2 ALA B 2 45.620 29.400 26.980 1.00 0.00 H
ATOM 3261 HB3 ALA B 2 44.330 29.650 25.850 1.00 0.00 H
ATOM 3262 C ALA B 2 44.550 31.930 27.260 1.00 0.00 C
ATOM 3263 O ALA B 2 44.610 31.710 28.470 1.00 0.00 O
ATOM 3264 N PRO B 3 43.480 32.620 26.860 1.00 0.00 N
ATOM 3265 CD PRO B 3 43.290 33.250 25.560 1.00 0.00 C
ATOM 3266 HD1 PRO B 3 42.560 32.750 24.930 1.00 0.00 H
ATOM 3267 HD2 PRO B 3 44.220 33.240 25.000 1.00 0.00 H
ATOM 3268 CG PRO B 3 43.030 34.720 25.860 1.00 0.00 C
ATOM 3269 HG1 PRO B 3 42.640 35.230 24.970 1.00 0.00 H
ATOM 3270 HG2 PRO B 3 43.920 35.120 26.350 1.00 0.00 H
ATOM 3271 CB PRO B 3 41.990 34.450 26.940 1.00 0.00 C
ATOM 3272 HB1 PRO B 3 41.070 34.300 26.380 1.00 0.00 H
ATOM 3273 HB2 PRO B 3 41.910 35.320 27.590 1.00 0.00 H
ATOM 3274 CA PRO B 3 42.500 33.240 27.720 1.00 0.00 C
ATOM 3275 HA PRO B 3 42.990 33.530 28.650 1.00 0.00 H
ATOM 3276 C PRO B 3 41.520 32.130 28.080 1.00 0.00 C
ATOM 3277 O PRO B 3 41.150 31.340 27.210 1.00 0.00 O
ATOM 3278 N ALA B 4 41.030 32.110 29.320 1.00 0.00 N
ATOM 3279 H ALA B 4 41.430 32.830 29.890 1.00 0.00 H
ATOM 3280 CA ALA B 4 40.050 31.250 29.950 1.00 0.00 C
ATOM 3281 HA ALA B 4 40.460 30.240 29.870 1.00 0.00 H
ATOM 3282 CB ALA B 4 39.920 31.520 31.440 1.00 0.00 C
ATOM 3283 HB1 ALA B 4 40.900 31.680 31.900 1.00 0.00 H
ATOM 3284 HB2 ALA B 4 39.310 32.410 31.610 1.00 0.00 H
ATOM 3285 HB3 ALA B 4 39.420 30.680 31.910 1.00 0.00 H
ATOM 3286 C ALA B 4 38.680 31.140 29.280 1.00 0.00 C
ATOM 3287 O ALA B 4 37.750 30.580 29.840 1.00 0.00 O
ATOM 3288 N ALA B 5 38.570 31.720 28.080 1.00 0.00 N
ATOM 3289 H ALA B 5 39.430 31.980 27.630 1.00 0.00 H
ATOM 3290 CA ALA B 5 37.420 31.370 27.260 1.00 0.00 C
ATOM 3291 HA ALA B 5 36.570 31.290 27.940 1.00 0.00 H
ATOM 3292 CB ALA B 5 37.070 32.580 26.400 1.00 0.00 C
ATOM 3293 HB1 ALA B 5 37.820 32.680 25.610 1.00 0.00 H
ATOM 3294 HB2 ALA B 5 36.090 32.380 25.960 1.00 0.00 H
ATOM 3295 HB3 ALA B 5 37.060 33.430 27.080 1.00 0.00 H
ATOM 3296 C ALA B 5 37.470 30.120 26.410 1.00 0.00 C
ATOM 3297 O ALA B 5 36.700 29.210 26.710 1.00 0.00 O
ATOM 3298 N ALA B 6 38.350 30.050 25.400 1.00 0.00 N
ATOM 3299 H ALA B 6 38.950 30.830 25.180 1.00 0.00 H
ATOM 3300 CA ALA B 6 38.500 28.860 24.590 1.00 0.00 C
ATOM 3301 HA ALA B 6 38.250 27.980 25.190 1.00 0.00 H
ATOM 3302 CB ALA B 6 37.410 28.960 23.540 1.00 0.00 C
ATOM 3303 HB1 ALA B 6 36.450 28.770 24.030 1.00 0.00 H
ATOM 3304 HB2 ALA B 6 37.450 29.860 22.930 1.00 0.00 H
ATOM 3305 HB3 ALA B 6 37.460 28.080 22.890 1.00 0.00 H
ATOM 3306 C ALA B 6 39.820 28.750 23.840 1.00 0.00 C
ATOM 3307 O ALA B 6 40.310 29.780 23.380 1.00 0.00 O
ATOM 3308 N PRO B 7 40.300 27.530 23.560 1.00 0.00 N
ATOM 3309 CD PRO B 7 39.680 26.250 23.830 1.00 0.00 C
ATOM 3310 HD1 PRO B 7 38.670 26.180 23.430 1.00 0.00 H
ATOM 3311 HD2 PRO B 7 39.630 26.080 24.910 1.00 0.00 H
ATOM 3312 CG PRO B 7 40.490 25.130 23.190 1.00 0.00 C
ATOM 3313 HG1 PRO B 7 40.160 24.880 22.180 1.00 0.00 H
ATOM 3314 HG2 PRO B 7 40.680 24.220 23.770 1.00 0.00 H
ATOM 3315 CB PRO B 7 41.780 25.890 22.910 1.00 0.00 C
ATOM 3316 HB1 PRO B 7 42.220 25.360 22.070 1.00 0.00 H
ATOM 3317 HB2 PRO B 7 42.460 25.890 23.760 1.00 0.00 H
ATOM 3318 CA PRO B 7 41.360 27.320 22.600 1.00 0.00 C
ATOM 3319 HA PRO B 7 42.270 27.880 22.830 1.00 0.00 H
ATOM 3320 C PRO B 7 40.900 27.590 21.170 1.00 0.00 C
ATOM 3321 O PRO B 7 39.700 27.530 20.900 1.00 0.00 O
ATOM 3322 N PRO B 8 41.850 27.790 20.250 1.00 0.00 N
ATOM 3323 CD PRO B 8 43.200 28.270 20.450 1.00 0.00 C
ATOM 3324 HD1 PRO B 8 43.910 27.450 20.330 1.00 0.00 H
ATOM 3325 HD2 PRO B 8 43.280 28.740 21.430 1.00 0.00 H
ATOM 3326 CG PRO B 8 43.470 29.280 19.340 1.00 0.00 C
ATOM 3327 HG1 PRO B 8 44.520 29.540 19.230 1.00 0.00 H
ATOM 3328 HG2 PRO B 8 42.930 30.220 19.470 1.00 0.00 H
ATOM 3329 CB PRO B 8 42.790 28.540 18.200 1.00 0.00 C
ATOM 3330 HB1 PRO B 8 43.380 27.730 17.770 1.00 0.00 H
ATOM 3331 HB2 PRO B 8 42.520 29.330 17.490 1.00 0.00 H
ATOM 3332 CA PRO B 8 41.510 28.030 18.860 1.00 0.00 C
ATOM 3333 HA PRO B 8 40.760 28.820 18.910 1.00 0.00 H
ATOM 3334 C PRO B 8 40.930 26.740 18.310 1.00 0.00 C
ATOM 3335 OC1 PRO B 8 41.580 25.690 18.480 1.00 0.00 O
ATOM 3336 OC2 PRO B 8 39.780 26.710 17.810 1.00 0.00 O
TER
END
Raw
nohyd_a.pdb
ATOM 1 N ALA B 1 49.830 33.030 25.480 1.00 0.00 N
ATOM 2 CA ALA B 1 48.960 33.020 26.660 1.00 0.00 C
ATOM 3 CB ALA B 1 49.230 34.200 27.590 1.00 0.00 C
ATOM 4 C ALA B 1 47.480 32.820 26.360 1.00 0.00 C
ATOM 5 O ALA B 1 46.890 33.670 25.690 1.00 0.00 O
ATOM 6 N ALA B 2 46.890 31.710 26.820 1.00 0.00 N
ATOM 7 CA ALA B 2 45.580 31.370 26.290 1.00 0.00 C
ATOM 8 CB ALA B 2 45.380 29.880 26.030 1.00 0.00 C
ATOM 9 C ALA B 2 44.550 31.930 27.260 1.00 0.00 C
ATOM 10 O ALA B 2 44.610 31.710 28.470 1.00 0.00 O
ATOM 11 N PRO B 3 43.480 32.620 26.860 1.00 0.00 N
ATOM 12 CD PRO B 3 43.290 33.250 25.560 1.00 0.00 C
ATOM 13 CG PRO B 3 43.030 34.720 25.860 1.00 0.00 C
ATOM 14 CB PRO B 3 41.990 34.450 26.940 1.00 0.00 C
ATOM 15 CA PRO B 3 42.500 33.240 27.720 1.00 0.00 C
ATOM 16 C PRO B 3 41.520 32.130 28.080 1.00 0.00 C
ATOM 17 O PRO B 3 41.150 31.340 27.210 1.00 0.00 O
ATOM 18 N ALA B 4 41.030 32.110 29.320 1.00 0.00 N
ATOM 19 CA ALA B 4 40.050 31.250 29.950 1.00 0.00 C
ATOM 20 CB ALA B 4 39.920 31.520 31.440 1.00 0.00 C
ATOM 21 C ALA B 4 38.680 31.140 29.280 1.00 0.00 C
ATOM 22 O ALA B 4 37.750 30.580 29.840 1.00 0.00 O
ATOM 23 N ALA B 5 38.570 31.720 28.080 1.00 0.00 N
ATOM 24 CA ALA B 5 37.420 31.370 27.260 1.00 0.00 C
ATOM 25 CB ALA B 5 37.070 32.580 26.400 1.00 0.00 C
ATOM 26 C ALA B 5 37.470 30.120 26.410 1.00 0.00 C
ATOM 27 O ALA B 5 36.700 29.210 26.710 1.00 0.00 O
ATOM 28 N ALA B 6 38.350 30.050 25.400 1.00 0.00 N
ATOM 29 CA ALA B 6 38.500 28.860 24.590 1.00 0.00 C
ATOM 30 CB ALA B 6 37.410 28.960 23.540 1.00 0.00 C
ATOM 31 C ALA B 6 39.820 28.750 23.840 1.00 0.00 C
ATOM 32 O ALA B 6 40.310 29.780 23.380 1.00 0.00 O
ATOM 33 N PRO B 7 40.300 27.530 23.560 1.00 0.00 N
ATOM 34 CD PRO B 7 39.680 26.250 23.830 1.00 0.00 C
ATOM 35 CG PRO B 7 40.490 25.130 23.190 1.00 0.00 C
ATOM 36 CB PRO B 7 41.780 25.890 22.910 1.00 0.00 C
ATOM 37 CA PRO B 7 41.360 27.320 22.600 1.00 0.00 C
ATOM 38 C PRO B 7 40.900 27.590 21.170 1.00 0.00 C
ATOM 39 O PRO B 7 39.700 27.530 20.900 1.00 0.00 O
ATOM 40 N PRO B 8 41.850 27.790 20.250 1.00 0.00 N
ATOM 41 CD PRO B 8 43.200 28.270 20.450 1.00 0.00 C
ATOM 42 CG PRO B 8 43.470 29.280 19.340 1.00 0.00 C
ATOM 43 CB PRO B 8 42.790 28.540 18.200 1.00 0.00 C
ATOM 44 CA PRO B 8 41.510 28.030 18.860 1.00 0.00 C
ATOM 45 C PRO B 8 40.930 26.740 18.310 1.00 0.00 C
ATOM 46 OC1 PRO B 8 41.580 25.690 18.480 1.00 0.00 O
ATOM 47 OC2 PRO B 8 39.780 26.710 17.810 1.00 0.00 O
TER 47 PRO B 8
END
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