[Bioperl-l] convert xyz coordinates to distance
ni_psis
ni_psis at hotmail.com
Wed Mar 22 16:42:47 UTC 2006
Hi,
I am new to perl, but I would like write a perl script that can convert xyz
cordinates from a pdb file to distances using the formula: distance =
SQRT[(X1-X2)^2 + (Y1-Y2)^2 + (Z1-Z2)^2]
eg: The atoms of HELIX 1 with all the atoms of HELIX 2 and 3
the atom[0] of 1 with the atom[0] of 2
the atom[0] of 1 with the atom[1] of 2
the atom[0] of 1 with the atom[2] of 2
the atom[0] of 1 with the atom[3] of 2
.
.
.
.
.
.
the atom[1] of 1 with the atom[0] of 2
the atom[1] of 1 with the atom[1] of 2
the atom[1] of 1 with the atom[2] of 2
the atom[1] of 1 with the atom[3] of 2
I want a good idea of how to do it
Please HELP ME
thanks
The pdb file format look like this
HEADER PHEROMONE 20-DEC-95 2ERL
HELIX 1 H1 ASP 1 GLN 9
HELIX 2 H2 GLU 12 LEU 18
HELIX 3 H3 GLU 23 ASN 35
ATOM 1 N ASP 1 -1.115 8.537 7.075
ATOM 2 CA ASP 1 -1.925 7.470 6.547
ATOM 3 C ASP 1 -2.009 6.333 7.522
ATOM 4 O ASP 1 -1.467 6.394 8.624
ATOM 5 CB ASP 1 -1.526 6.993 5.163
ATOM 6 CG ASP 1 -0.189 6.261 5.135
ATOM 7 OD1 ASP 1 0.337 6.017 6.212
ATOM 8 OD2 ASP 1 0.306 6.000 3.954
ATOM 9 1H ASP 1 -1.462 8.819 7.844
ATOM 10 2H ASP 1 -0.287 8.240 7.214
ATOM 11 3H ASP 1 -1.095 9.210 6.493
ATOM 12 HA ASP 1 -2.833 7.829 6.464
ATOM 13 1HB ASP 1 -2.216 6.400 4.825
ATOM 14 2HB ASP 1 -1.478 7.758 4.569
ATOM 15 N ALA 2 -2.745 5.280 7.165
ATOM 16 CA ALA 2 -2.945 4.152 7.987
ATOM 17 C ALA 2 -1.606 3.448 8.305
ATOM 18 O ALA 2 -1.440 3.010 9.454
ATOM 19 CB ALA 2 -3.966 3.256 7.436
ATOM 20 H ALA 2 -3.119 5.289 6.390
ATOM 21 HA ALA 2 -3.296 4.485 8.839
ATOM 22 1HB ALA 2 -4.765 3.756 7.251
ATOM 23 2HB ALA 2 -3.640 2.861 6.624
ATOM 24 3HB ALA 2 -4.162 2.564 8.072
ATOM 25 N CYS 3 -0.777 3.267 7.329
ATOM 26 CA CYS 3 0.570 2.624 7.511
ATOM 27 C CYS 3 1.328 3.308 8.626
ATOM 28 O CYS 3 1.802 2.679 9.562
ATOM 29 CB CYS 3 1.351 2.667 6.209
ATOM 30 SG CYS 3 2.981 1.901 6.318
ATOM 31 H CYS 3 -1.006 3.526 6.542
ATOM 32 HA CYS 3 0.434 1.686 7.759
ATOM 33 1HB CYS 3 0.838 2.216 5.521
ATOM 34 2HB CYS 3 1.457 3.593 5.938
ATOM 35 N GLU 4 1.508 4.617 8.489
ATOM 36 CA GLU 4 2.255 5.404 9.498
ATOM 37 C GLU 4 1.610 5.225 10.885
ATOM 38 O GLU 4 2.334 5.109 11.842
ATOM 39 CB GLU 4 2.244 6.852 9.036
ATOM 40 CG GLU 4 2.997 7.867 9.820
ATOM 41 CD GLU 4 2.736 9.285 9.326
ATOM 42 OE1 GLU 4 1.708 9.575 8.697
ATOM 43 OE2 GLU 4 3.543 10.133 9.731
ATOM 44 H GLU 4 1.184 5.016 7.799
ATOM 45 HA GLU 4 3.181 5.086 9.532
ATOM 46 1HB GLU 4 2.585 6.872 8.128
ATOM 47 2HB GLU 4 1.319 7.140 8.998
ATOM 48 1HG GLU 4 2.741 7.803 10.754
ATOM 49 2HG GLU 4 3.947 7.678 9.758
ATOM 50 N GLN 5 0.296 5.263 10.912
ATOM 51 CA GLN 5 -0.378 5.203 12.200
ATOM 52 C GLN 5 -0.239 3.845 12.878
ATOM 53 O GLN 5 -0.077 3.785 14.080
ATOM 54 CB GLN 5 -1.796 5.653 12.089
ATOM 55 CG GLN 5 -2.013 7.148 11.907
ATOM 56 CD GLN 5 -1.903 7.874 13.238
ATOM 57 OE1 GLN 5 -0.839 8.347 13.647
ATOM 58 NE2 GLN 5 -3.009 7.883 13.980
ATOM 59 H GLN 5 -0.156 5.321 10.182
ATOM 60 HA GLN 5 0.075 5.850 12.780
ATOM 61 1HB GLN 5 -2.203 5.194 11.338
ATOM 62 2HB GLN 5 -2.267 5.373 12.890
ATOM 63 1HG GLN 5 -1.351 7.498 11.292
ATOM 64 2HG GLN 5 -2.891 7.303 11.525
ATOM 65 1HE2 GLN 5 -2.995 8.225 14.769
ATOM 66 2HE2 GLN 5 -3.737 7.546 13.670
ATOM 67 N ALA 6 -0.230 2.753 12.099
ATOM 68 CA ALA 6 0.008 1.434 12.610
ATOM 69 C ALA 6 1.381 1.256 13.230
ATOM 70 O ALA 6 1.566 0.690 14.248
ATOM 71 CB ALA 6 -0.241 0.379 11.529
ATOM 72 H ALA 6 -0.372 2.847 11.256
ATOM 73 HA ALA 6 -0.650 1.279 13.320
ATOM 74 1HB ALA 6 -1.110 0.513 11.145
ATOM 75 2HB ALA 6 0.428 0.458 10.845
ATOM 76 3HB ALA 6 -0.196 -0.497 11.921
ATOM 77 N ALA 7 2.408 1.829 12.524
ATOM 78 CA ALA 7 3.765 1.850 13.007
ATOM 79 C ALA 7 3.841 2.536 14.354
ATOM 80 O ALA 7 4.398 2.044 15.330
ATOM 81 CB ALA 7 4.697 2.539 12.023
ATOM 82 H ALA 7 2.235 2.189 11.763
ATOM 83 HA ALA 7 4.066 0.924 13.117
ATOM 84 1HB ALA 7 4.652 2.095 11.173
ATOM 85 2HB ALA 7 4.432 3.456 11.919
ATOM 86 3HB ALA 7 5.597 2.503 12.355
ATOM 87 N ILE 8 3.226 3.717 14.440
ATOM 88 CA ILE 8 3.309 4.495 15.692
ATOM 89 C ILE 8 2.560 3.810 16.813
ATOM 90 O ILE 8 2.928 3.990 17.984
ATOM 91 CB ILE 8 2.843 5.950 15.428
ATOM 92 CG1 ILE 8 3.857 6.706 14.481
ATOM 93 CG2 ILE 8 2.577 6.751 16.654
ATOM 94 CD1 ILE 8 3.229 8.004 13.927
ATOM 95 H ILE 8 2.783 4.024 13.769
ATOM 96 HA ILE 8 4.254 4.532 15.951
ATOM 97 HB ILE 8 1.994 5.890 14.941
ATOM 98 1HG1 ILE 8 4.662 6.922 14.976
ATOM 99 2HG1 ILE 8 4.104 6.126 13.743
ATOM 100 1HG2 ILE 8 3.375 6.798 17.185
ATOM 101 2HG2 ILE 8 2.307 7.638 16.404
ATOM 102 3HG2 ILE 8 1.878 6.335 17.163
ATOM 103 1HD1 ILE 8 2.439 7.789 13.425
ATOM 104 2HD1 ILE 8 2.997 8.584 14.656
ATOM 105 3HD1 ILE 8 3.861 8.446 13.355
ATOM 106 N GLN 9 1.568 3.015 16.550
ATOM 107 CA GLN 9 0.911 2.196 17.602
ATOM 108 C GLN 9 1.655 0.958 17.980
ATOM 109 O GLN 9 1.263 0.292 18.947
ATOM 110 CB GLN 9 -0.515 1.736 17.086
ATOM 111 CG GLN 9 -1.483 2.809 16.995
ATOM 112 CD GLN 9 -1.712 3.600 18.204
ATOM 113 OE1 GLN 9 -1.704 3.103 19.341
ATOM 114 NE2 GLN 9 -1.737 4.933 18.099
ATOM 115 H GLN 9 1.282 2.960 15.740
ATOM 116 HA GLN 9 0.793 2.749 18.402
ATOM 117 1HB GLN 9 -0.414 1.332 16.210
ATOM 118 2HB GLN 9 -0.859 1.056 17.685
ATOM 119 1HG GLN 9 -1.198 3.412 16.290
ATOM 120 2HG GLN 9 -2.331 2.426 16.721
ATOM 121 1HE2 GLN 9 -1.747 5.420 18.808
ATOM 122 2HE2 GLN 9 -1.744 5.303 17.323
ATOM 149 N GLU 12 3.089 -4.518 14.660
ATOM 150 CA GLU 12 3.774 -4.990 13.456
ATOM 151 C GLU 12 2.912 -5.712 12.482
ATOM 152 O GLU 12 3.083 -5.643 11.264
ATOM 153 CB GLU 12 5.001 -5.826 13.875
ATOM 154 CG GLU 12 5.800 -6.264 12.646
ATOM 155 CD GLU 12 7.105 -7.002 13.014
ATOM 156 OE1 GLU 12 7.603 -7.032 14.115
ATOM 157 OE2 GLU 12 7.612 -7.651 12.023
ATOM 158 H GLU 12 3.340 -4.793 15.435
ATOM 159 HA GLU 12 4.117 -4.196 12.996
ATOM 160 1HB GLU 12 5.568 -5.299 14.460
ATOM 161 2HB GLU 12 4.707 -6.609 14.366
ATOM 162 1HG GLU 12 5.249 -6.848 12.102
ATOM 163 2HG GLU 12 6.018 -5.482 12.115
ATOM 164 N SER 13 1.920 -6.484 13.028
ATOM 165 CA SER 13 1.076 -7.239 12.160
ATOM 166 C SER 13 0.324 -6.363 11.167
ATOM 167 O SER 13 0.007 -6.792 10.066
ATOM 168 CB SER 13 0.128 -8.087 12.980
ATOM 169 OG SER 13 -0.739 -7.320 13.698
ATOM 170 H SER 13 1.808 -6.514 13.880
ATOM 171 HA SER 13 1.647 -7.846 11.645
ATOM 172 1HB SER 13 -0.374 -8.670 12.388
ATOM 173 2HB SER 13 0.640 -8.646 13.585
ATOM 174 HG SER 13 -1.237 -7.805 14.133
ATOM 175 N ALA 14 0.024 -5.155 11.540
ATOM 176 CA ALA 14 -0.691 -4.208 10.662
ATOM 177 C ALA 14 0.172 -3.600 9.632
ATOM 178 O ALA 14 -0.368 -3.032 8.645
ATOM 179 CB ALA 14 -1.353 -3.146 11.567
ATOM 180 H ALA 14 0.249 -4.898 12.329
ATOM 181 HA ALA 14 -1.404 -4.701 10.205
ATOM 182 1HB ALA 14 -1.901 -3.582 12.223
ATOM 183 2HB ALA 14 -0.672 -2.633 12.008
ATOM 184 3HB ALA 14 -1.897 -2.564 11.031
ATOM 185 N CYS 15 1.477 -3.696 9.725
ATOM 186 CA CYS 15 2.308 -3.191 8.605
ATOM 187 C CYS 15 1.975 -3.899 7.294
ATOM 188 O CYS 15 2.030 -3.304 6.232
ATOM 189 CB CYS 15 3.808 -3.398 8.859
ATOM 190 SG CYS 15 4.517 -2.546 10.292
ATOM 191 H CYS 15 1.843 -4.044 10.421
ATOM 192 HA CYS 15 2.138 -2.232 8.496
ATOM 193 1HB CYS 15 3.968 -4.349 8.965
ATOM 194 2HB CYS 15 4.291 -3.110 8.069
ATOM 195 N GLU 16 1.667 -5.187 7.314
ATOM 196 CA GLU 16 1.430 -5.931 6.110
ATOM 197 C GLU 16 0.156 -5.451 5.422
ATOM 198 O GLU 16 0.100 -5.353 4.192
ATOM 199 CB GLU 16 1.428 -7.442 6.289
ATOM 200 CG GLU 16 1.044 -8.157 4.985
ATOM 201 CD GLU 16 1.407 -9.599 4.948
ATOM 202 OE1 GLU 16 1.736 -10.214 5.969
ATOM 203 OE2 GLU 16 1.368 -10.134 3.797
ATOM 204 H GLU 16 1.607 -5.590 8.071
ATOM 205 HA GLU 16 2.171 -5.723 5.503
ATOM 206 1HB GLU 16 2.310 -7.734 6.568
ATOM 207 2HB GLU 16 0.798 -7.683 6.986
ATOM 208 1HG GLU 16 0.086 -8.075 4.856
ATOM 209 2HG GLU 16 1.480 -7.708 4.244
ATOM 210 N SER 17 -0.869 -5.247 6.225
ATOM 211 CA SER 17 -2.172 -4.980 5.581
ATOM 212 C SER 17 -2.344 -3.505 5.280
ATOM 213 O SER 17 -3.155 -3.183 4.446
ATOM 214 CB SER 17 -3.275 -5.410 6.507
ATOM 215 OG SER 17 -3.218 -4.787 7.747
ATOM 216 H SER 17 -0.783 -5.269 7.080
ATOM 217 HA SER 17 -2.232 -5.490 4.747
ATOM 218 1HB SER 17 -4.129 -5.211 6.094
ATOM 219 2HB SER 17 -3.224 -6.370 6.634
ATOM 220 HG SER 17 -3.829 -5.063 8.220
ATOM 221 N LEU 18 -1.632 -2.581 5.945
ATOM 222 CA LEU 18 -1.851 -1.181 5.784
ATOM 223 C LEU 18 -0.765 -0.443 5.006
ATOM 224 O LEU 18 -0.917 0.722 4.696
ATOM 225 CB LEU 18 -2.125 -0.476 7.077
ATOM 226 CG LEU 18 -3.325 -1.012 7.842
ATOM 227 CD1 LEU 18 -3.376 -0.270 9.218
ATOM 228 CD2 LEU 18 -4.628 -0.783 7.166
ATOM 229 H LEU 18 -1.020 -2.844 6.490
ATOM 230 HA LEU 18 -2.670 -1.096 5.252
ATOM 231 1HB LEU 18 -1.339 -0.547 7.642
ATOM 232 2HB LEU 18 -2.269 0.465 6.892
ATOM 233 HG LEU 18 -3.206 -1.972 7.997
ATOM 234 1HD1 LEU 18 -2.544 -0.397 9.681
ATOM 235 2HD1 LEU 18 -3.520 0.668 9.070
ATOM 236 3HD1 LEU 18 -4.094 -0.625 9.746
ATOM 237 1HD2 LEU 18 -4.623 -1.212 6.307
ATOM 238 2HD2 LEU 18 -5.335 -1.148 7.702
ATOM 239 3HD2 LEU 18 -4.767 0.160 7.051
ATOM 295 N GLU 23 9.333 -0.276 0.185
ATOM 296 CA GLU 23 9.826 0.653 1.171
ATOM 297 C GLU 23 8.840 0.959 2.297
ATOM 298 O GLU 23 9.259 1.093 3.424
ATOM 299 CB GLU 23 10.325 1.921 0.540
ATOM 300 CG GLU 23 10.916 2.847 1.683
ATOM 301 CD GLU 23 12.317 3.194 1.151
ATOM 302 OE1 GLU 23 12.312 3.576 -0.032
ATOM 303 OE2 GLU 23 13.279 2.843 1.795
ATOM 304 H GLU 23 9.278 -0.029 -0.637
ATOM 305 HA GLU 23 10.602 0.227 1.590
ATOM 306 1HB GLU 23 11.013 1.719 -0.113
ATOM 307 2HB GLU 23 9.597 2.376 0.087
ATOM 308 1HG GLU 23 10.378 3.645 1.801
ATOM 309 2HG GLU 23 10.969 2.371 2.526
ATOM 310 N ASP 24 7.545 1.080 2.021
ATOM 311 CA ASP 24 6.578 1.456 2.996
ATOM 312 C ASP 24 6.494 0.434 4.133
ATOM 313 O ASP 24 6.495 0.773 5.304
ATOM 314 CB AASP 24 5.191 1.484 2.253
ATOM 315 CB BASP 24 5.265 1.879 2.478
ATOM 316 CG AASP 24 4.141 2.327 2.967
ATOM 317 CG BASP 24 5.248 3.162 1.679
ATOM 318 OD1AASP 24 4.571 3.306 3.637
ATOM 319 OD1BASP 24 6.269 3.566 1.111
ATOM 320 OD2AASP 24 2.942 2.035 2.732
ATOM 321 OD2BASP 24 4.151 3.739 1.602
ATOM 322 H ASP 24 7.279 0.924 1.218
ATOM 323 HA ASP 24 6.788 2.344 3.354
ATOM 324 1HB AASP 24 5.321 1.835 1.358
ATOM 325 1HB BASP 24 4.915 1.168 1.920
ATOM 326 2HB AASP 24 4.861 0.576 2.169
ATOM 327 2HB BASP 24 4.660 1.981 3.230
ATOM 328 N ARG 25 6.468 -0.850 3.785
ATOM 329 CA ARG 25 6.481 -1.917 4.730
ATOM 330 C ARG 25 7.768 -1.982 5.503
ATOM 331 O ARG 25 7.746 -2.193 6.697
ATOM 332 CB ARG 25 6.233 -3.282 4.080
ATOM 333 CG ARG 25 4.939 -3.786 4.243
ATOM 334 CD ARG 25 4.593 -5.053 3.521
ATOM 335 NE ARG 25 3.283 -4.845 2.866
ATOM 336 CZ ARG 25 2.745 -5.680 2.027
ATOM 337 NH1 ARG 25 3.329 -6.802 1.738
ATOM 338 NH2 ARG 25 1.606 -5.294 1.451
ATOM 339 H ARG 25 6.442 -1.046 2.948
ATOM 340 HA ARG 25 5.757 -1.757 5.370
ATOM 341 1HB ARG 25 6.419 -3.209 3.131
ATOM 342 2HB ARG 25 6.862 -3.919 4.453
ATOM 343 1HG ARG 25 4.793 -3.933 5.191
ATOM 344 2HG ARG 25 4.314 -3.101 3.959
ATOM 345 1HD ARG 25 5.271 -5.258 2.858
ATOM 346 2HD ARG 25 4.541 -5.793 4.146
ATOM 347 HE ARG 25 2.850 -4.125 3.052
ATOM 348 1HH1 ARG 25 4.082 -7.002 2.104
ATOM 349 2HH1 ARG 25 2.964 -7.346 1.182
ATOM 350 1HH2 ARG 25 1.266 -4.528 1.643
ATOM 351 2HH2 ARG 25 1.212 -5.811 0.889
ATOM 352 N THR 26 8.905 -1.802 4.817
ATOM 353 CA THR 26 10.154 -1.810 5.523
ATOM 354 C THR 26 10.210 -0.678 6.527
ATOM 355 O THR 26 10.682 -0.883 7.638
ATOM 356 CB THR 26 11.365 -1.691 4.530
ATOM 357 OG1 THR 26 11.250 -2.794 3.577
ATOM 358 CG2 THR 26 12.671 -1.765 5.262
ATOM 359 H THR 26 8.887 -1.684 3.966
ATOM 360 HA THR 26 10.232 -2.658 6.007
ATOM 361 HB THR 26 11.309 -0.839 4.049
ATOM 362 HG1 THR 26 10.524 -2.754 3.199
ATOM 363 1HG2 THR 26 12.728 -2.600 5.732
ATOM 364 2HG2 THR 26 13.394 -1.701 4.634
ATOM 365 3HG2 THR 26 12.727 -1.040 5.889
ATOM 366 N GLY 27 9.745 0.504 6.136
ATOM 367 CA GLY 27 9.780 1.635 7.013
ATOM 368 C GLY 27 8.911 1.477 8.245
ATOM 369 O GLY 27 9.232 2.015 9.304
ATOM 370 H GLY 27 9.419 0.591 5.345
ATOM 371 1HA GLY 27 10.696 1.786 7.294
ATOM 372 2HA GLY 27 9.489 2.421 6.524
ATOM 373 N CYS 28 7.821 0.743 8.138
ATOM 374 CA CYS 28 6.903 0.489 9.277
ATOM 375 C CYS 28 7.656 -0.419 10.284
ATOM 376 O CYS 28 7.686 -0.110 11.456
ATOM 377 CB CYS 28 5.665 -0.223 8.696
ATOM 378 SG CYS 28 4.315 -0.568 9.820
ATOM 379 H CYS 28 7.634 0.396 7.374
ATOM 380 HA CYS 28 6.644 1.333 9.703
ATOM 381 1HB CYS 28 5.320 0.321 7.971
ATOM 382 2HB CYS 28 5.957 -1.064 8.311
ATOM 383 N TYR 29 8.295 -1.482 9.790
ATOM 384 CA TYR 29 9.088 -2.358 10.716
ATOM 385 C TYR 29 10.247 -1.595 11.290
ATOM 386 O TYR 29 10.548 -1.718 12.474
ATOM 387 CB TYR 29 9.614 -3.574 9.912
ATOM 388 CG TYR 29 10.520 -4.518 10.686
ATOM 389 CD1 TYR 29 10.093 -5.166 11.837
ATOM 390 CD2 TYR 29 11.796 -4.811 10.254
ATOM 391 CE1 TYR 29 10.877 -6.030 12.516
ATOM 392 CE2 TYR 29 12.587 -5.705 10.948
ATOM 393 CZ TYR 29 12.135 -6.301 12.099
ATOM 394 OH TYR 29 12.930 -7.218 12.733
ATOM 395 H TYR 29 8.253 -1.663 8.950
ATOM 396 HA TYR 29 8.510 -2.672 11.443
ATOM 397 1HB TYR 29 8.853 -4.078 9.584
ATOM 398 2HB TYR 29 10.101 -3.245 9.141
ATOM 399 HD1 TYR 29 9.234 -4.998 12.152
ATOM 400 HD2 TYR 29 12.127 -4.402 9.487
ATOM 401 HE1 TYR 29 10.548 -6.443 13.281
ATOM 402 HE2 TYR 29 13.438 -5.906 10.631
ATOM 403 HH TYR 29 12.530 -7.527 13.378
ATOM 404 N MET 30 10.949 -0.787 10.499
ATOM 405 CA MET 30 12.097 -0.042 11.035
ATOM 406 C MET 30 11.669 0.919 12.090
ATOM 407 O MET 30 12.377 1.090 13.089
ATOM 408 CB AMET 30 12.832 0.699 9.921
ATOM 409 CB BMET 30 12.811 0.650 9.888
ATOM 410 CG AMET 30 13.669 -0.195 9.045
ATOM 411 CG BMET 30 14.005 1.475 10.250
ATOM 412 SD AMET 30 14.471 0.753 7.727
ATOM 413 SD BMET 30 14.944 1.947 8.787
ATOM 414 CE AMET 30 14.905 2.248 8.635
ATOM 415 CE BMET 30 15.397 0.346 8.138
ATOM 416 H MET 30 10.730 -0.700 9.672
ATOM 417 HA MET 30 12.717 -0.684 11.439
ATOM 418 1HB AMET 30 12.181 1.158 9.368
ATOM 419 1HB BMET 30 13.093 -0.028 9.253
ATOM 420 2HB AMET 30 13.406 1.372 10.319
ATOM 421 2HB BMET 30 12.173 1.223 9.435
ATOM 422 1HG AMET 30 14.346 -0.634 9.584
ATOM 423 1HG BMET 30 13.715 2.273 10.718
ATOM 424 2HG AMET 30 13.106 -0.881 8.652
ATOM 425 2HG BMET 30 14.576 0.968 10.849
ATOM 426 1HE AMET 30 14.110 2.647 8.993
ATOM 427 1HE BMET 30 14.603 -0.156 7.942
ATOM 428 2HE AMET 30 15.503 2.024 9.352
ATOM 429 2HE BMET 30 15.910 0.460 7.334
ATOM 430 3HE AMET 30 15.336 2.869 8.042
ATOM 431 3HE BMET 30 15.923 -0.126 8.788
ATOM 432 N TYR 31 10.526 1.565 11.956
ATOM 433 CA TYR 31 10.065 2.484 13.000
ATOM 434 C TYR 31 9.814 1.710 14.299
ATOM 435 O TYR 31 10.250 2.118 15.373
ATOM 436 CB TYR 31 8.756 3.200 12.579
ATOM 437 CG TYR 31 8.267 3.992 13.773
ATOM 438 CD1 TYR 31 8.851 5.234 14.116
ATOM 439 CD2 TYR 31 7.329 3.440 14.678
ATOM 440 CE1 TYR 31 8.499 5.910 15.275
ATOM 441 CE2 TYR 31 6.981 4.150 15.769
ATOM 442 CZ TYR 31 7.538 5.382 16.044
ATOM 443 OH TYR 31 7.191 6.079 17.208
ATOM 444 H TYR 31 10.048 1.445 11.251
ATOM 445 HA TYR 31 10.759 3.158 13.160
ATOM 446 1HB TYR 31 8.923 3.792 11.829
ATOM 447 2HB TYR 31 8.088 2.548 12.313
ATOM 448 HD1 TYR 31 9.488 5.607 13.550
ATOM 449 HD2 TYR 31 6.958 2.602 14.522
ATOM 450 HE1 TYR 31 8.918 6.706 15.512
ATOM 451 HE2 TYR 31 6.349 3.799 16.353
ATOM 452 HH TYR 31 6.601 5.671 17.606
ATOM 453 N ILE 32 9.123 0.578 14.183
ATOM 454 CA ILE 32 8.789 -0.212 15.347
ATOM 455 C ILE 32 10.053 -0.625 16.093
ATOM 456 O ILE 32 10.184 -0.529 17.301
ATOM 457 CB ILE 32 7.879 -1.387 14.953
ATOM 458 CG1 ILE 32 6.521 -0.859 14.500
ATOM 459 CG2 ILE 32 7.713 -2.356 16.108
ATOM 460 CD1 ILE 32 5.561 -1.922 13.957
ATOM 461 H ILE 32 8.871 0.313 13.405
ATOM 462 HA ILE 32 8.273 0.364 15.949
ATOM 463 HB ILE 32 8.293 -1.864 14.203
ATOM 464 1HG1 ILE 32 6.097 -0.416 15.252
ATOM 465 2HG1 ILE 32 6.664 -0.191 13.811
ATOM 466 1HG2 ILE 32 8.573 -2.695 16.368
ATOM 467 2HG2 ILE 32 7.311 -1.901 16.852
ATOM 468 3HG2 ILE 32 7.151 -3.085 15.837
ATOM 469 1HD1 ILE 32 5.390 -2.577 14.638
ATOM 470 2HD1 ILE 32 4.735 -1.506 13.698
ATOM 471 3HD1 ILE 32 5.956 -2.350 13.194
ATOM 472 N TYR 33 11.046 -1.139 15.317
ATOM 473 CA TYR 33 12.292 -1.565 15.897
ATOM 474 C TYR 33 13.029 -0.407 16.556
ATOM 475 O TYR 33 13.826 -0.566 17.499
ATOM 476 CB TYR 33 13.154 -2.243 14.790
ATOM 477 CG TYR 33 14.066 -3.275 15.385
ATOM 478 CD1 TYR 33 15.158 -2.997 16.140
ATOM 479 CD2 TYR 33 13.705 -4.619 15.244
ATOM 480 CE1 TYR 33 15.930 -4.045 16.679
ATOM 481 CE2 TYR 33 14.414 -5.660 15.777
ATOM 482 CZ TYR 33 15.554 -5.350 16.468
ATOM 483 OH TYR 33 16.237 -6.383 17.086
ATOM 484 H TYR 33 10.927 -1.209 14.468
ATOM 485 HA TYR 33 12.096 -2.235 16.585
ATOM 486 1HB TYR 33 12.572 -2.662 14.138
ATOM 487 2HB TYR 33 13.682 -1.569 14.334
ATOM 488 HD1 TYR 33 15.398 -2.113 16.302
ATOM 489 HD2 TYR 33 12.937 -4.817 14.758
ATOM 490 HE1 TYR 33 16.692 -3.854 17.177
ATOM 491 HE2 TYR 33 14.134 -6.541 15.674
ATOM 492 HH TYR 33 16.848 -6.075 17.537
ATOM 493 N SER 34 12.844 0.772 16.083
ATOM 494 CA SER 34 13.557 1.963 16.575
ATOM 495 C SER 34 12.950 2.566 17.788
ATOM 496 O SER 34 13.608 3.309 18.555
ATOM 497 CB ASER 34 13.553 3.076 15.438
ATOM 498 CB BSER 34 13.638 2.928 15.354
ATOM 499 OG ASER 34 12.413 3.945 15.615
ATOM 500 OG BSER 34 14.493 2.380 14.346
ATOM 501 H SER 34 12.274 0.871 15.446
ATOM 502 HA SER 34 14.485 1.717 16.774
ATOM 503 1HB ASER 34 14.372 3.595 15.484
ATOM 504 1HB BSER 34 12.751 3.066 14.989
ATOM 505 2HB ASER 34 13.511 2.653 14.566
ATOM 506 2HB BSER 34 13.984 3.788 15.641
ATOM 507 HG ASER 34 11.724 3.501 15.592
ATOM 508 HG BSER 34 15.247 2.278 14.652
ATOM 509 N ASN 35 11.615 2.428 18.062
ATOM 510 CA ASN 35 10.925 3.271 18.975
ATOM 511 C ASN 35 9.854 2.614 19.812
ATOM 512 O ASN 35 9.237 3.328 20.640
ATOM 513 CB ASN 35 10.506 4.597 18.417
ATOM 514 CG ASN 35 10.539 5.778 19.332
ATOM 515 OD1 ASN 35 11.373 5.994 20.212
ATOM 516 ND2 ASN 35 9.625 6.723 19.078
ATOM 517 H ASN 35 11.175 1.804 17.664
ATOM 518 HA ASN 35 11.613 3.507 19.631
ATOM 519 1HB ASN 35 11.075 4.794 17.657
ATOM 520 2HB ASN 35 9.601 4.507 18.081
ATOM 521 1HD2 ASN 35 9.631 7.458 19.526
ATOM 522 2HD2 ASN 35 9.033 6.596 18.468
##########
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