fragmenstein/demo/test_mols/dummy.pdb
HEADER 25-JAN-23 XXXX
EXPDTA THEORETICAL MODEL
REMARK 220 PROTEIN SEQUENCE ELVIS... at 200 A
ATOM 1 N GLU A 1 -400.000 0.000 0.000 1.00 0.00 N
ATOM 2 CA GLU A 1 -398.542 0.000 0.000 1.00 0.00 C
ATOM 3 C GLU A 1 -397.991 1.420 0.000 1.00 0.00 C
ATOM 4 O GLU A 1 -398.735 2.385 -0.177 1.00 0.00 O
ATOM 5 CB GLU A 1 -398.009 -0.764 -1.214 1.00 0.00 C
ATOM 6 CG GLU A 1 -398.377 -2.241 -1.239 1.00 0.00 C
ATOM 7 CD GLU A 1 -397.803 -2.967 -2.423 1.00 0.00 C
ATOM 8 OE1 GLU A 1 -397.268 -2.320 -3.291 1.00 0.00 O
ATOM 9 OE2 GLU A 1 -397.899 -4.171 -2.460 1.00 0.00 O
ATOM 10 1H GLU A 1 -400.334 -0.943 -0.000 1.00 0.00 H
ATOM 11 2H GLU A 1 -400.334 0.471 0.816 1.00 0.00 H
ATOM 12 3H GLU A 1 -400.334 0.471 -0.816 1.00 0.00 H
ATOM 13 HA GLU A 1 -398.196 -0.498 0.906 1.00 0.00 H
ATOM 14 1HB GLU A 1 -398.391 -0.309 -2.127 1.00 0.00 H
ATOM 15 2HB GLU A 1 -396.921 -0.691 -1.241 1.00 0.00 H
ATOM 16 1HG GLU A 1 -398.012 -2.711 -0.326 1.00 0.00 H
ATOM 17 2HG GLU A 1 -399.462 -2.333 -1.253 1.00 0.00 H
ATOM 18 N LEU A 2 -396.683 1.542 0.200 1.00 0.00 N
ATOM 19 CA LEU A 2 -396.029 2.845 0.216 1.00 0.00 C
ATOM 20 C LEU A 2 -394.568 2.733 -0.202 1.00 0.00 C
ATOM 21 O LEU A 2 -394.000 1.641 -0.222 1.00 0.00 O
ATOM 22 CB LEU A 2 -396.121 3.466 1.615 1.00 0.00 C
ATOM 23 CG LEU A 2 -395.510 2.638 2.753 1.00 0.00 C
ATOM 24 CD1 LEU A 2 -394.015 2.912 2.836 1.00 0.00 C
ATOM 25 CD2 LEU A 2 -396.203 2.984 4.062 1.00 0.00 C
ATOM 26 H LEU A 2 -396.128 0.711 0.344 1.00 0.00 H
ATOM 27 HA LEU A 2 -396.540 3.497 -0.491 1.00 0.00 H
ATOM 28 1HB LEU A 2 -395.616 4.431 1.601 1.00 0.00 H
ATOM 29 2HB LEU A 2 -397.171 3.633 1.854 1.00 0.00 H
ATOM 30 HG LEU A 2 -395.643 1.576 2.541 1.00 0.00 H
ATOM 31 1HD1 LEU A 2 -393.581 2.323 3.644 1.00 0.00 H
ATOM 32 2HD1 LEU A 2 -393.541 2.638 1.893 1.00 0.00 H
ATOM 33 3HD1 LEU A 2 -393.850 3.971 3.031 1.00 0.00 H
ATOM 34 1HD2 LEU A 2 -395.770 2.394 4.870 1.00 0.00 H
ATOM 35 2HD2 LEU A 2 -396.070 4.045 4.275 1.00 0.00 H
ATOM 36 3HD2 LEU A 2 -397.267 2.761 3.980 1.00 0.00 H
ATOM 37 N VAL A 3 -393.965 3.869 -0.535 1.00 0.00 N
ATOM 38 CA VAL A 3 -392.542 3.916 -0.852 1.00 0.00 C
ATOM 39 C VAL A 3 -391.761 4.650 0.230 1.00 0.00 C
ATOM 40 O VAL A 3 -392.081 5.787 0.578 1.00 0.00 O
ATOM 41 CB VAL A 3 -392.320 4.616 -2.206 1.00 0.00 C
ATOM 42 CG1 VAL A 3 -390.834 4.706 -2.521 1.00 0.00 C
ATOM 43 CG2 VAL A 3 -393.060 3.867 -3.304 1.00 0.00 C
ATOM 44 H VAL A 3 -394.505 4.721 -0.569 1.00 0.00 H
ATOM 45 HA VAL A 3 -392.169 2.894 -0.921 1.00 0.00 H
ATOM 46 HB VAL A 3 -392.697 5.637 -2.143 1.00 0.00 H
ATOM 47 1HG1 VAL A 3 -390.695 5.204 -3.481 1.00 0.00 H
ATOM 48 2HG1 VAL A 3 -390.331 5.277 -1.741 1.00 0.00 H
ATOM 49 3HG1 VAL A 3 -390.411 3.703 -2.569 1.00 0.00 H
ATOM 50 1HG2 VAL A 3 -392.899 4.368 -4.258 1.00 0.00 H
ATOM 51 2HG2 VAL A 3 -392.686 2.845 -3.362 1.00 0.00 H
ATOM 52 3HG2 VAL A 3 -394.126 3.851 -3.078 1.00 0.00 H
ATOM 53 N ILE A 4 -390.735 3.993 0.761 1.00 0.00 N
ATOM 54 CA ILE A 4 -389.927 4.569 1.829 1.00 0.00 C
ATOM 55 C ILE A 4 -388.459 4.191 1.674 1.00 0.00 C
ATOM 56 O ILE A 4 -388.135 3.080 1.255 1.00 0.00 O
ATOM 57 CB ILE A 4 -390.433 4.109 3.209 1.00 0.00 C
ATOM 58 CG1 ILE A 4 -389.696 4.855 4.324 1.00 0.00 C
ATOM 59 CG2 ILE A 4 -390.259 2.606 3.365 1.00 0.00 C
ATOM 60 CD1 ILE A 4 -390.350 4.727 5.680 1.00 0.00 C
ATOM 61 H ILE A 4 -390.509 3.072 0.414 1.00 0.00 H
ATOM 62 HA ILE A 4 -390.007 5.654 1.777 1.00 0.00 H
ATOM 63 HB ILE A 4 -391.489 4.356 3.309 1.00 0.00 H
ATOM 64 1HG1 ILE A 4 -388.675 4.480 4.399 1.00 0.00 H
ATOM 65 2HG1 ILE A 4 -389.635 5.915 4.074 1.00 0.00 H
ATOM 66 1HG2 ILE A 4 -390.621 2.298 4.346 1.00 0.00 H
ATOM 67 2HG2 ILE A 4 -390.828 2.092 2.591 1.00 0.00 H
ATOM 68 3HG2 ILE A 4 -389.204 2.350 3.271 1.00 0.00 H
ATOM 69 1HD1 ILE A 4 -389.770 5.283 6.418 1.00 0.00 H
ATOM 70 2HD1 ILE A 4 -391.362 5.130 5.636 1.00 0.00 H
ATOM 71 3HD1 ILE A 4 -390.389 3.677 5.967 1.00 0.00 H
ATOM 72 N SER A 5 -387.575 5.123 2.014 1.00 0.00 N
ATOM 73 CA SER A 5 -386.140 4.866 1.980 1.00 0.00 C
ATOM 74 C SER A 5 -385.389 5.812 2.906 1.00 0.00 C
ATOM 75 O SER A 5 -385.350 5.593 4.086 1.00 0.00 O
ATOM 76 OXT SER A 5 -384.835 6.778 2.457 1.00 0.00 O
ATOM 77 CB SER A 5 -385.618 5.009 0.563 1.00 0.00 C
ATOM 78 OG SER A 5 -384.233 4.798 0.515 1.00 0.00 O
ATOM 79 H SER A 5 -387.905 6.032 2.303 1.00 0.00 H
ATOM 80 HA SER A 5 -385.963 3.844 2.318 1.00 0.00 H
ATOM 81 1HB SER A 5 -386.121 4.292 -0.084 1.00 0.00 H
ATOM 82 2HB SER A 5 -385.849 6.006 0.190 1.00 0.00 H
ATOM 83 HG SER A 5 -384.111 3.846 0.520 1.00 0.00 H
TER