Mercurial > repos > jjohnson > opencontact
diff test-data/fineab.pdb @ 0:d163dd7e68b5 draft
planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
| author | jjohnson |
|---|---|
| date | Thu, 16 May 2019 11:27:07 -0400 |
| parents | |
| children |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/fineab.pdb Thu May 16 11:27:07 2019 -0400 @@ -0,0 +1,292 @@ +ATOM 372 N TRP C 628 11.939 18.567 24.754 14.007 -0.428 +ATOM 374 C TRP C 628 11.305 16.438 23.468 12.011 0.584 +ATOM 377 CG TRP C 628 14.324 16.987 25.710 12.011 -0.100 +ATOM 378 CD1 TRP C 628 14.560 17.945 26.654 12.011 -0.174 +ATOM 379 CD2 TRP C 628 15.466 16.576 25.059 12.011 0.090 +ATOM 380 NE1 TRP C 628 15.852 18.149 26.605 14.007 -0.298 +ATOM 381 CE2 TRP C 628 16.442 17.360 25.680 12.011 0.142 +ATOM 382 CE3 TRP C 628 15.833 15.676 24.060 12.011 -0.154 +ATOM 383 CZ2 TRP C 628 17.793 17.256 25.297 12.011 -0.211 +ATOM 384 CZ3 TRP C 628 17.180 15.570 23.699 12.011 -0.164 +ATOM 385 CH2 TRP C 628 18.158 16.350 24.304 12.011 -0.133 +ATOM 387 HE1 TRP C 628 16.338 18.759 27.208 1.008 0.322 +ATOM 409 C TRP C 631 12.541 15.931 18.819 12.011 0.584 +ATOM 410 O TRP C 631 12.869 15.598 17.708 15.999 -0.495 +ATOM 411 CB TRP C 631 13.836 17.478 20.395 12.011 -0.098 +ATOM 412 CG TRP C 631 15.206 16.925 19.960 12.011 -0.100 +ATOM 413 CD1 TRP C 631 16.103 17.708 19.291 12.011 -0.174 +ATOM 415 NE1 TRP C 631 17.137 16.928 19.120 14.007 -0.298 +ATOM 416 CE2 TRP C 631 16.924 15.687 19.621 12.011 0.142 +ATOM 418 CZ2 TRP C 631 17.755 14.558 19.662 12.011 -0.211 +ATOM 422 HE1 TRP C 631 17.965 17.239 18.688 1.008 0.322 +ATOM 423 N ASP C 632 11.873 15.089 19.562 14.007 -0.558 +ATOM 450 CA GLU C 634 11.159 16.676 14.569 12.011 0.032 +ATOM 451 C GLU C 634 12.229 15.727 14.081 12.011 0.470 +ATOM 452 O GLU C 634 12.486 15.655 12.877 15.999 -0.593 +ATOM 453 CB GLU C 634 11.823 17.935 14.998 12.011 0.075 +ATOM 455 CD GLU C 634 11.401 20.433 14.751 12.011 0.765 +ATOM 456 OE1 GLU C 634 12.353 20.598 13.977 15.999 -0.824 +ATOM 457 OE2 GLU C 634 10.902 21.363 15.384 15.999 -0.824 +ATOM 459 N ILE C 635 12.783 14.913 14.993 14.007 -0.451 +ATOM 460 CA ILE C 635 13.782 13.906 14.663 12.011 -0.102 +ATOM 461 C ILE C 635 13.110 12.816 13.854 12.011 0.569 +ATOM 462 O ILE C 635 13.714 12.292 12.927 15.999 -0.620 +ATOM 464 CG1 ILE C 635 15.236 14.321 16.698 12.011 0.022 +ATOM 465 CG2 ILE C 635 15.388 12.182 15.569 12.011 -0.130 +ATOM 466 CD1 ILE C 635 16.358 14.961 15.927 12.011 -0.101 +ATOM 481 C ASN C 637 10.834 13.839 9.723 12.011 0.617 +ATOM 482 O ASN C 637 10.585 13.594 8.538 15.999 -0.524 +ATOM 486 ND2 ASN C 637 7.948 16.748 12.355 14.007 -0.782 +ATOM 490 N TYR C 638 12.033 14.300 10.102 14.007 -0.488 +ATOM 492 C TYR C 638 13.679 13.029 8.854 12.011 0.622 +ATOM 493 O TYR C 638 14.008 12.788 7.698 15.999 -0.527 +ATOM 494 CB TYR C 638 14.165 15.327 9.774 12.011 -0.052 +ATOM 495 CG TYR C 638 13.667 16.749 9.673 12.011 0.113 +ATOM 496 CD1 TYR C 638 13.303 17.225 8.418 12.011 -0.183 +ATOM 497 CD2 TYR C 638 13.521 17.567 10.800 12.011 -0.183 +ATOM 498 CE1 TYR C 638 12.850 18.517 8.256 12.011 -0.182 +ATOM 499 CE2 TYR C 638 13.091 18.900 10.637 12.011 -0.182 +ATOM 500 CZ TYR C 638 12.738 19.343 9.354 12.011 0.206 +ATOM 501 OH TYR C 638 12.451 20.666 9.088 15.999 -0.421 +ATOM 503 HH TYR C 638 12.351 20.876 8.165 1.008 0.330 +ATOM 504 N THR C 639 13.706 12.108 9.796 14.007 -0.245 +ATOM 506 C THR C 639 13.232 10.085 8.424 12.011 0.560 +ATOM 507 O THR C 639 13.725 9.331 7.554 15.999 -0.552 +ATOM 509 OG1 THR C 639 15.110 10.474 11.544 15.999 -0.602 +ATOM 512 HG1 THR C 639 14.818 11.323 11.889 1.008 0.405 +ATOM 516 O SER C 640 11.169 9.642 5.177 15.999 -0.581 +ATOM 523 C LEU C 641 12.948 11.832 4.190 12.011 0.573 +ATOM 524 O LEU C 641 13.039 11.552 2.988 15.999 -0.558 +ATOM 528 CD2 LEU C 641 12.047 16.198 4.163 12.011 -0.123 +ATOM 530 N ILE C 642 13.988 11.612 5.019 14.007 -0.451 +ATOM 532 C ILE C 642 15.163 9.729 4.112 12.011 0.569 +ATOM 533 O ILE C 642 15.740 9.343 3.115 15.999 -0.620 +ATOM 534 CB ILE C 642 16.384 11.240 5.647 12.011 0.062 +ATOM 535 CG1 ILE C 642 16.630 12.661 6.041 12.011 0.022 +ATOM 536 CG2 ILE C 642 17.722 10.778 5.097 12.011 -0.130 +ATOM 537 CD1 ILE C 642 17.480 12.825 7.287 12.011 -0.101 +ATOM 539 N HIS C 643 14.415 8.904 4.785 14.007 -0.528 +ATOM 541 C HIS C 643 13.527 7.512 2.940 12.011 0.662 +ATOM 552 N SER C 644 12.502 8.344 2.761 14.007 -0.541 +ATOM 554 C SER C 644 12.782 8.888 0.398 12.011 0.483 +ATOM 555 O SER C 644 12.797 8.293 -0.691 15.999 -0.581 +ATOM 557 OG SER C 644 9.823 9.759 2.572 15.999 -0.640 +ATOM 560 N LEU C 645 13.612 9.918 0.673 14.007 -0.355 +ATOM 562 C LEU C 645 15.593 9.476 -0.651 12.011 0.573 +ATOM 563 O LEU C 645 15.914 9.316 -1.820 15.999 -0.558 +ATOM 564 CB LEU C 645 15.027 11.807 0.080 12.011 -0.144 +ATOM 565 CG LEU C 645 13.979 12.903 0.305 12.011 0.192 +ATOM 566 CD1 LEU C 645 14.665 14.149 0.710 12.011 -0.123 +ATOM 567 CD2 LEU C 645 13.200 13.183 -0.954 12.011 -0.123 +ATOM 569 N ILE C 646 16.114 8.734 0.334 14.007 -0.451 +ATOM 571 C ILE C 646 16.595 6.620 -0.736 12.011 0.569 +ATOM 572 O ILE C 646 17.236 6.140 -1.676 15.999 -0.620 +ATOM 580 C GLU C 647 14.377 5.647 -2.682 12.011 0.470 +ATOM 581 O GLU C 647 14.604 4.923 -3.662 15.999 -0.593 +ATOM 588 N GLU C 648 13.876 6.871 -2.874 14.007 -0.423 +ATOM 590 C GLU C 648 14.863 7.517 -4.984 12.011 0.470 +ATOM 591 O GLU C 648 14.864 7.188 -6.175 15.999 -0.593 +ATOM 593 CG GLU C 648 12.503 9.437 -5.318 12.011 -0.034 +ATOM 594 CD GLU C 648 11.969 10.872 -5.126 12.011 0.765 +ATOM 595 OE1 GLU C 648 11.991 11.409 -4.008 15.999 -0.824 +ATOM 596 OE2 GLU C 648 11.521 11.471 -6.110 15.999 -0.824 +ATOM 598 N SER C 649 15.950 7.961 -4.364 14.007 -0.541 +ATOM 599 CA SER C 649 17.251 8.032 -4.994 12.011 0.118 +ATOM 600 C SER C 649 17.811 6.694 -5.403 12.011 0.483 +ATOM 601 O SER C 649 18.368 6.564 -6.482 15.999 -0.581 +ATOM 602 CB SER C 649 18.191 8.704 -4.055 12.011 0.147 +ATOM 603 OG SER C 649 17.841 10.043 -3.742 15.999 -0.640 +ATOM 605 HG SER C 649 17.888 10.547 -4.561 1.008 0.446 +ATOM 606 N GLN C 650 17.622 5.684 -4.563 14.007 -0.387 +ATOM 608 C GLN C 650 17.303 3.776 -6.071 12.011 0.419 +ATOM 609 O GLN C 650 17.951 3.085 -6.882 15.999 -0.565 +ATOM 612 CD GLN C 650 17.982 2.264 -1.334 12.011 0.668 +ATOM 614 NE2 GLN C 650 18.538 2.637 -0.192 14.007 -0.883 +ATOM 618 N ASN C 651 16.035 4.183 -6.268 14.007 -0.430 +ATOM 620 C ASN C 651 15.708 4.500 -8.681 12.011 0.617 +ATOM 621 O ASN C 651 15.988 3.912 -9.726 15.999 -0.524 +ATOM 623 CG ASN C 651 13.276 3.154 -6.125 12.011 0.584 +ATOM 625 ND2 ASN C 651 12.418 3.728 -5.276 14.007 -0.782 +ATOM 629 N GLN C 652 15.864 5.821 -8.587 14.007 -0.387 +ATOM 631 C GLN C 652 17.758 6.187 -10.002 12.011 0.419 +ATOM 632 O GLN C 652 18.093 6.195 -11.164 15.999 -0.565 +ATOM 633 CB GLN C 652 16.307 8.040 -9.279 12.011 -0.032 +ATOM 634 CG GLN C 652 16.453 9.174 -10.302 12.011 -0.020 +ATOM 635 CD GLN C 652 15.382 9.271 -11.366 12.011 0.668 +ATOM 636 OE1 GLN C 652 14.275 9.750 -11.134 15.999 -0.628 +ATOM 637 NE2 GLN C 652 15.688 8.915 -12.603 14.007 -0.883 +ATOM 641 N GLN C 653 18.596 5.741 -9.080 14.007 -0.387 +ATOM 642 CA GLN C 653 19.926 5.262 -9.403 12.011 0.037 +ATOM 643 C GLN C 653 19.851 4.058 -10.322 12.011 0.419 +ATOM 644 O GLN C 653 20.554 4.029 -11.335 15.999 -0.565 +ATOM 645 CB GLN C 653 20.669 4.856 -8.157 12.011 -0.032 +ATOM 646 CG GLN C 653 22.164 4.660 -8.449 12.011 -0.020 +ATOM 647 CD GLN C 653 22.929 5.903 -8.922 12.011 0.668 +ATOM 648 OE1 GLN C 653 22.474 7.036 -8.956 15.999 -0.628 +ATOM 649 NE2 GLN C 653 24.191 5.913 -9.220 14.007 -0.883 +ATOM 653 N GLU C 654 18.952 3.102 -10.025 14.007 -0.423 +ATOM 655 C GLU C 654 18.222 2.339 -12.253 12.011 0.470 +ATOM 656 O GLU C 654 18.762 1.916 -13.285 15.999 -0.593 +ATOM 659 CD GLU C 654 17.642 -0.522 -8.002 12.011 0.765 +ATOM 660 OE1 GLU C 654 17.220 0.245 -7.134 15.999 -0.824 +ATOM 665 C LYS C 655 17.643 4.441 -14.445 12.011 0.725 +ATOM 666 O LYS C 655 17.713 4.286 -15.665 15.999 -0.563 +ATOM 673 HZ1 LYS C 655 11.029 6.298 -12.366 1.008 0.295 +ATOM 676 N ASN C 656 18.474 5.275 -13.838 14.007 -0.430 +ATOM 678 C ASN C 656 20.510 5.128 -15.026 12.011 0.617 +ATOM 679 O ASN C 656 20.860 5.283 -16.194 15.999 -0.524 +ATOM 681 CG ASN C 656 19.142 8.214 -13.246 12.011 0.584 +ATOM 682 OD1 ASN C 656 18.270 8.618 -14.035 15.999 -0.527 +ATOM 683 ND2 ASN C 656 19.141 8.698 -12.009 14.007 -0.782 +ATOM 689 C GLU C 657 21.326 2.381 -15.914 12.011 0.470 +ATOM 693 CD GLU C 657 23.410 1.852 -11.389 12.011 0.765 +ATOM 694 OE1 GLU C 657 23.152 0.650 -11.481 15.999 -0.824 +ATOM 695 OE2 GLU C 657 23.970 2.322 -10.407 15.999 -0.824 +ATOM 715 CD GLU C 659 17.379 7.956 -19.530 12.011 0.765 +ATOM 716 OE1 GLU C 659 17.214 8.159 -18.321 15.999 -0.824 +ATOM 717 OE2 GLU C 659 17.049 8.781 -20.388 15.999 -0.824 +ATOM 264 CH2 TRP N 571 15.524 20.395 23.451 12.011 -0.133 +ATOM 300 CD GLN N 575 18.143 22.472 25.591 12.011 0.668 +ATOM 301 OE1 GLN N 575 17.537 22.387 26.656 15.999 -0.628 +ATOM 302 NE2 GLN N 575 18.305 23.636 25.024 14.007 -0.883 +ATOM 342 NH1 ARG N 579 17.230 19.303 30.253 14.007 -0.686 +ATOM 343 NH2 ARG N 579 16.430 21.352 29.931 14.007 -0.686 +ATOM 263 CZ3 TRP N 571 16.181 19.419 22.697 12.011 -0.164 +ATOM 298 CB GLN N 575 19.690 20.480 25.617 12.011 -0.032 +ATOM 299 CG GLN N 575 18.703 21.312 24.814 12.011 -0.020 +ATOM 341 CZ ARG N 579 17.385 20.587 30.457 12.011 0.566 +ATOM 268 CA GLY N 572 20.270 18.034 21.892 12.011 -0.129 +ATOM 269 C GLY N 572 21.532 18.044 22.719 12.011 0.581 +ATOM 270 O GLY N 572 21.491 18.102 23.948 15.999 -0.509 +ATOM 311 CG LEU N 576 21.688 16.085 26.553 12.011 0.192 +ATOM 313 CD2 LEU N 576 20.643 15.931 27.638 12.011 -0.123 +ATOM 297 O GLN N 575 21.530 20.599 28.288 15.999 -0.565 +ATOM 228 O LEU N 568 19.319 18.457 18.167 15.999 -0.558 +ATOM 227 C LEU N 568 19.410 18.201 16.958 12.011 0.573 +ATOM 261 CE3 TRP N 571 17.056 19.805 21.674 12.011 -0.154 +ATOM 226 CA LEU N 568 18.513 18.907 15.980 12.011 -0.101 +ATOM 229 CB LEU N 568 17.399 18.019 15.472 12.011 -0.144 +ATOM 258 CD2 TRP N 571 17.291 21.171 21.401 12.011 0.090 +ATOM 234 N THR N 569 20.343 17.385 16.474 14.007 -0.245 +ATOM 235 CA THR N 569 21.300 16.706 17.345 12.011 -0.271 +ATOM 236 C THR N 569 22.179 17.733 18.051 12.011 0.560 +ATOM 253 C TRP N 571 20.408 20.357 21.079 12.011 0.584 +ATOM 267 N GLY N 572 20.356 19.036 20.842 14.007 -0.374 +ATOM 198 O LEU N 565 20.106 16.694 13.603 15.999 -0.558 +ATOM 216 O GLN N 567 20.379 20.878 16.165 15.999 -0.565 +ATOM 225 N LEU N 568 19.313 19.365 14.871 14.007 -0.355 +ATOM 237 O THR N 569 22.428 17.562 19.238 15.999 -0.552 +ATOM 239 OG1 THR N 569 22.896 16.453 15.512 15.999 -0.602 +ATOM 243 N VAL N 570 22.568 18.851 17.411 14.007 -0.450 +ATOM 251 N TRP N 571 21.311 20.824 18.901 14.007 -0.428 +ATOM 254 O TRP N 571 20.466 20.796 22.237 15.999 -0.495 +ATOM 231 CD1 LEU N 568 15.376 17.669 14.033 12.011 -0.123 +ATOM 185 O HIS N 564 18.167 19.105 12.118 15.999 -0.529 +ATOM 154 C ALA N 561 17.880 16.505 6.441 12.011 0.570 +ATOM 184 C HIS N 564 18.133 18.647 10.985 12.011 0.662 +ATOM 197 C LEU N 565 20.023 16.771 12.360 12.011 0.573 +ATOM 230 CG LEU N 568 16.441 18.651 14.453 12.011 0.192 +ATOM 232 CD2 LEU N 568 15.844 19.917 15.044 12.011 -0.123 +ATOM 155 O ALA N 561 17.661 16.726 7.641 15.999 -0.555 +ATOM 173 O GLN N 563 20.607 19.846 9.965 15.999 -0.565 +ATOM 182 N HIS N 564 18.842 19.364 8.714 14.007 -0.528 +ATOM 188 ND1 HIS N 564 15.024 20.554 7.683 14.007 -0.423 +ATOM 187 CG HIS N 564 16.122 20.497 8.389 12.011 0.278 +ATOM 206 C LEU N 566 22.041 18.835 13.232 12.011 0.573 +ATOM 215 C GLN N 567 20.124 20.425 15.041 12.011 0.419 +ATOM 219 CD GLN N 567 21.964 23.290 12.278 12.011 0.668 +ATOM 202 CD2 LEU N 565 16.843 13.988 11.920 12.011 -0.123 +ATOM 200 CG LEU N 565 17.893 13.938 10.810 12.011 0.192 +ATOM 113 O ARG N 557 17.012 16.740 1.622 15.999 -0.578 +ATOM 130 O ALA N 558 19.295 14.930 3.360 15.999 -0.555 +ATOM 136 O ILE N 559 20.961 17.946 4.334 15.999 -0.620 +ATOM 145 O GLU N 560 18.199 19.290 5.659 15.999 -0.593 +ATOM 152 N ALA N 561 17.605 17.606 4.311 14.007 -0.405 +ATOM 156 CB ALA N 561 16.221 15.671 4.797 12.011 -0.230 +ATOM 158 N GLN N 562 19.053 16.076 6.014 14.007 -0.387 +ATOM 161 O GLN N 562 20.989 16.658 8.934 15.999 -0.565 +ATOM 165 OE1 GLN N 562 22.693 13.426 4.578 15.999 -0.628 +ATOM 166 NE2 GLN N 562 21.828 11.590 5.556 14.007 -0.883 +ATOM 195 N LEU N 565 18.352 17.382 10.651 14.007 -0.355 +ATOM 112 C ARG N 557 17.200 16.394 0.467 12.011 0.730 +ATOM 129 C ALA N 558 19.392 15.061 2.144 12.011 0.570 +ATOM 164 CD GLN N 562 21.844 12.875 5.276 12.011 0.668 +ATOM 186 CB HIS N 564 16.508 19.405 9.372 12.011 -0.152 +ATOM 193 HD1 HIS N 564 14.318 19.929 7.750 1.008 0.160 +ATOM 190 CE1 HIS N 564 15.029 21.609 6.945 12.011 0.026 +ATOM 191 NE2 HIS N 564 16.140 22.240 7.177 14.007 -0.098 +ATOM 189 CD2 HIS N 564 16.858 21.617 8.051 12.011 -0.298 +ATOM 201 CD1 LEU N 565 18.612 12.580 10.876 12.011 -0.123 +ATOM 84 O ASN N 554 17.628 13.893 -2.508 15.999 -0.524 +ATOM 119 NH1 ARG N 557 11.397 15.396 -3.011 14.007 -0.686 +ATOM 120 NH2 ARG N 557 12.335 14.867 -5.036 14.007 -0.686 +ATOM 127 N ALA N 558 17.915 15.313 0.192 14.007 -0.405 +ATOM 83 C ASN N 554 17.876 13.908 -3.715 12.011 0.617 +ATOM 118 CZ ARG N 557 12.355 15.631 -3.918 12.011 0.566 +ATOM 94 C LEU N 555 20.274 15.341 -2.498 12.011 0.573 +ATOM 153 CA ALA N 561 16.886 16.905 5.362 12.011 -0.028 +ATOM 163 CG GLN N 562 20.703 13.620 5.857 12.011 -0.020 +ATOM 159 CA GLN N 562 20.042 15.666 6.986 12.011 0.037 +ATOM 162 CB GLN N 562 21.194 14.960 6.319 12.011 -0.032 +ATOM 199 CB LEU N 565 18.955 15.028 10.980 12.011 -0.144 +ATOM 88 ND2 ASN N 554 15.485 12.022 -7.460 14.007 -0.782 +ATOM 86 CG ASN N 554 15.340 12.520 -6.239 12.011 0.584 +ATOM 42 NE2 GLN N 550 13.111 12.750 -9.753 14.007 -0.883 +ATOM 49 O GLN N 551 19.330 13.334 -6.868 15.999 -0.565 +ATOM 53 OE1 GLN N 551 18.955 9.872 -7.134 15.999 -0.628 +ATOM 54 NE2 GLN N 551 20.573 8.430 -7.469 14.007 -0.883 +ATOM 73 O ASN N 553 16.914 16.649 -4.433 15.999 -0.524 +ATOM 87 OD1 ASN N 554 14.277 13.033 -5.925 15.999 -0.527 +ATOM 92 N LEU N 555 19.125 14.034 -4.177 14.007 -0.355 +ATOM 95 O LEU N 555 20.383 15.280 -1.272 15.999 -0.558 +ATOM 131 CB ALA N 558 19.030 13.199 0.587 12.011 -0.230 +ATOM 52 CD GLN N 551 19.994 9.589 -7.719 12.011 0.668 +ATOM 72 C ASN N 553 17.047 16.173 -5.554 12.011 0.617 +ATOM 128 CA ALA N 558 18.387 14.409 1.226 12.011 -0.028 +ATOM 114 CB ARG N 557 15.457 16.809 -1.356 12.011 -0.037 +ATOM 111 CA ARG N 557 16.776 17.288 -0.685 12.011 -0.131 +ATOM 117 NE ARG N 557 13.280 16.625 -3.751 14.007 0.465 +ATOM 37 O GLN N 550 16.520 14.236 -8.736 15.999 -0.565 +ATOM 40 CD GLN N 550 13.343 13.742 -10.585 12.011 0.668 +ATOM 15 O GLY N 547 18.147 11.667 -12.391 15.999 -0.509 +ATOM 41 OE1 GLN N 550 13.048 14.884 -10.294 15.999 -0.628 +ATOM 46 N GLN N 551 17.847 13.009 -10.014 14.007 -0.387 +ATOM 61 O GLN N 552 19.987 16.732 -6.006 15.999 -0.565 +ATOM 70 N ASN N 553 18.383 16.452 -7.534 14.007 -0.430 +ATOM 76 OD1 ASN N 553 15.256 18.608 -5.669 15.999 -0.527 +ATOM 77 ND2 ASN N 553 14.006 18.540 -7.412 14.007 -0.782 +ATOM 81 N ASN N 554 17.005 14.883 -5.807 14.007 -0.430 +ATOM 36 C GLN N 550 16.843 13.895 -9.861 12.011 0.419 +ATOM 48 C GLN N 551 19.320 13.416 -8.092 12.011 0.419 +ATOM 75 CG ASN N 553 15.095 18.168 -6.802 12.011 0.584 +ATOM 103 C LEU N 556 18.997 17.825 -1.428 12.011 0.573 +ATOM 14 C GLY N 547 18.299 11.783 -13.596 12.011 0.581 +ATOM 85 CB ASN N 554 16.534 12.538 -5.331 12.011 -0.094 +ATOM 99 CD2 LEU N 555 21.643 11.526 -4.019 12.011 -0.123 +ATOM 60 C GLN N 552 19.620 16.316 -7.096 12.011 0.419 +ATOM 82 CA ASN N 554 16.731 13.930 -4.736 12.011 0.045 +ATOM 97 CG LEU N 555 21.762 12.724 -4.945 12.011 0.192 +ATOM 58 N GLN N 552 19.874 14.445 -8.725 14.007 -0.387 +ATOM 19 C ILE N 548 20.218 14.116 -12.696 12.011 0.569 +ATOM 47 CA GLN N 551 18.607 12.368 -8.940 12.011 0.037 +ATOM 50 CB GLN N 551 19.605 11.378 -9.582 12.011 -0.032 +ATOM 4 N SER N 546 17.955 14.014 -17.827 14.007 -0.541 +ATOM 7 O SER N 546 16.736 14.255 -14.615 15.999 -0.581 +ATOM 9 OG SER N 546 15.498 12.815 -17.842 15.999 -0.640 +ATOM 12 N GLY N 547 17.181 12.316 -15.724 14.007 -0.374 +ATOM 13 CA GLY N 547 17.202 11.414 -14.570 12.011 -0.129 +ATOM 17 N ILE N 548 19.399 12.280 -14.145 14.007 -0.451 +ATOM 20 O ILE N 548 20.543 14.273 -11.519 15.999 -0.620 +ATOM 26 N VAL N 549 19.590 15.054 -13.393 14.007 -0.450 +ATOM 29 O VAL N 549 17.992 16.598 -10.674 15.999 -0.405 +ATOM 34 N GLN N 550 17.187 15.030 -12.001 14.007 -0.387 +ATOM 38 CB GLN N 550 15.452 13.398 -11.814 12.011 -0.032 +ATOM 6 C SER N 546 16.909 13.631 -15.655 12.011 0.483 +ATOM 11 HG SER N 546 15.988 12.455 -18.582 1.008 0.446 +ATOM 28 C VAL N 549 18.036 15.977 -11.726 12.011 0.447 +ATOM 39 CG GLN N 550 13.929 13.475 -11.925 12.011 -0.020 +ATOM 30 CB VAL N 549 18.451 17.196 -13.841 12.011 0.395 +ATOM 51 CG GLN N 551 20.600 10.535 -8.719 12.011 -0.020 +ATOM 64 CD GLN N 552 23.257 16.787 -10.486 12.011 0.668 +ATOM 66 NE2 GLN N 552 24.575 16.670 -10.575 14.007 -0.883 +ATOM 18 CA ILE N 548 20.551 12.815 -13.425 12.011 -0.102