{
s_m_m2io_version
:::
2.0.0
}
f_m_ct {
s_m_title
s_m_entry_id
s_m_entry_name
s_m_Source_Path
s_m_Source_File
i_m_Source_File_Index
b_ppw_prepared
s_ppw_entry_id_backup
b_ppw_assigned_bond_orders
b_ppw_added_hydrogens
b_ppw_treated_metals
b_ppw_created_disulfur
b_ppw_deleted_far_waters
s_pdb_PDB_TITLE
s_pdb_PDB_ID
r_pdb_PDB_CRYST1_a
r_pdb_PDB_CRYST1_b
r_pdb_PDB_CRYST1_c
r_pdb_PDB_CRYST1_alpha
r_pdb_PDB_CRYST1_beta
r_pdb_PDB_CRYST1_gamma
s_pdb_PDB_CRYST1_Space_Group
i_pdb_PDB_CRYST1_z
s_pdb_PDB_CLASSIFICATION
s_pdb_PDB_DEPOSITION_DATE
s_pdb_PDB_format_version
r_pdb_PDB_R
r_pdb_PDB_RESOLUTION
s_pdb_PDB_EXPDTA
s_pdb_PDB_REMARK_350_Biomolecule_1_Chains
s_pdb_PDB_REMARK_350_Biomolecule_1_Transformation_1
i_m_ct_format
:::
1PPE_I
1
1ppe.1
/Users/piane_ramso/Ya.Disk/Yandex.Disk/Work/biocad/hedge/benchmark_dataset_prep_min/1PPE
1PPE_l.mae
1
1
158
1
1
1
1
1
"THE REFINED 2.0 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN BOVINE BETA-TRYPSIN AND CMTI-I, A TRYPSIN INHIBITOR FROM SQUASH SEEDS (CUCURBITA MAXIMA): TOPOLOGICAL SIMILARITY OF THE SQUASH SEED INHIBITORS WITH THE CARBOXYPEPTIDASE A INHIBITOR FROM POTATOES"
1PPE
59.28
55.47
74.59
90
90
90
"P 21 21 21"
4
"HYDROLASE(SERINE PROTEINASE)"
24-OCT-91
3.15
0.150999993085861
2
"X-RAY DIFFRACTION"
"E, I"
"1.000000 0.000000 0.000000 0.000000;0.000000 1.000000 0.000000 0.000000;0.000000 0.000000 1.000000 0.000000"
2
m_atom[436] {
# First column is atom index #
i_m_mmod_type
r_m_x_coord
r_m_y_coord
r_m_z_coord
i_m_residue_number
s_m_mmod_res
s_m_chain_name
i_m_color
s_m_pdb_residue_name
s_m_pdb_atom_name
i_m_atomic_number
i_m_formal_charge
s_m_color_rgb
s_m_atom_name
i_m_secondary_structure
i_m_ribbon_style
i_m_ribbon_color
s_m_ribbon_color_rgb
r_m_pdb_occupancy
r_m_pdb_tfactor
i_pdb_PDB_serial
i_pdb_seqres_index
:::
1 32 1.045806 16.243501 -11.758674 1 R I 38 "ARG " " N " 7 1 2F2FFF N4987 0 1 2 <> 1 33.34 1631 1
2 3 1.717287 15.105202 -11.079676 1 R I 2 "ARG " " CA " 6 0 A0A0A0 C4988 0 1 -9 006400 1 32.42 1632 1
3 2 0.747490 13.951791 -10.856091 1 R I 2 "ARG " " C " 6 0 A0A0A0 C4989 0 1 2 <> 1 24.38 1633 1
4 15 -0.472792 14.159266 -10.705597 1 R I 75 "ARG " " O " 8 0 FF5757 O4990 0 1 2 <> 1 27.42 1634 1
5 3 2.243528 15.549650 -9.707256 1 R I 2 "ARG " " CB " 6 0 A0A0A0 C4991 0 1 2 <> 1 18.37 1635 1
6 3 1.558311 16.839504 -9.363403 1 R I 2 "ARG " " CG " 6 0 A0A0A0 C4992 0 1 2 <> 1 13.85 1636 1
7 3 2.353141 17.580441 -8.273873 1 R I 2 "ARG " " CD " 6 0 A0A0A0 C4993 0 1 2 <> 1 20.56 1637 1
8 25 2.258265 16.794240 -7.076598 1 R I 38 "ARG " " NE " 7 0 2F2FFF N4994 0 1 2 <> 1 37.25 1638 1
9 2 1.276688 16.787280 -6.177455 1 R I 2 "ARG " " CZ " 6 0 A0A0A0 C4995 0 1 2 <> 1 28.69 1639 1
10 25 0.210799 17.604860 -6.115106 1 R I 38 "ARG " " NH1" 7 0 2F2FFF N4996 0 1 2 <> 1 30.8 1640 1
11 31 1.594570 16.076692 -5.156031 1 R I 38 "ARG " " NH2" 7 1 2F2FFF N4997 0 1 2 <> 1 23.22 1641 1
12 25 1.355158 12.800065 -10.856798 2 V I 38 "VAL " " N " 7 0 2F2FFF N4998 0 1 2 <> 1 16.32 1642 2
13 3 0.608730 11.590119 -10.530758 2 V I 2 "VAL " " CA " 6 0 A0A0A0 C4999 0 1 -9 006400 1 15.6 1643 2
14 2 0.657538 11.338644 -9.026648 2 V I 2 "VAL " " C " 6 0 A0A0A0 C5000 0 1 2 <> 1 14.33 1644 2
15 15 1.628172 10.835443 -8.457929 2 V I 75 "VAL " " O " 8 0 FF5757 O5001 0 1 2 <> 1 12.69 1645 2
16 3 1.101793 10.419460 -11.388193 2 V I 2 "VAL " " CB " 6 0 A0A0A0 C5002 0 1 2 <> 1 21.44 1646 2
17 3 0.371775 9.084017 -11.149806 2 V I 2 "VAL " " CG1" 6 0 A0A0A0 C5003 0 1 2 <> 1 13.21 1647 2
18 3 1.115495 10.849804 -12.867967 2 V I 2 "VAL " " CG2" 6 0 A0A0A0 C5004 0 1 2 <> 1 15.92 1648 2
19 25 -0.424388 11.737257 -8.379170 3 C I 38 "CYS " " N " 7 0 2F2FFF N5005 0 1 2 <> 1 15.61 1649 3
20 3 -0.491565 11.423272 -6.955715 3 C I 2 "CYS " " CA " 6 0 A0A0A0 C5006 0 1 -9 006400 1 8.79 1650 3
21 2 -1.739273 10.574160 -6.587587 3 C I 2 "CYS " " C " 6 0 A0A0A0 C5007 0 1 2 <> 1 11.83 1651 3
22 15 -2.858996 11.059662 -6.708887 3 C I 75 "CYS " " O " 8 0 FF5757 O5008 0 1 2 <> 1 3.56 1652 3
23 3 -0.438624 12.800897 -6.272657 3 C I 2 "CYS " " CB " 6 0 A0A0A0 C5009 0 1 2 <> 1 14.41 1653 3
24 49 -0.703035 12.718571 -4.518924 3 C I 13 "CYS " " SG " 16 0 E1E11E S5010 0 1 2 <> 1 7.31 1654 3
25 25 -1.556005 9.308893 -6.233867 4 P I 38 "PRO " " N " 7 0 2F2FFF N5011 0 1 2 <> 1 11.42 1655 4
26 3 -2.657262 8.481882 -5.748383 4 P I 2 "PRO " " CA " 6 0 A0A0A0 C5012 0 1 -9 006400 1 3 1656 4
27 2 -3.370877 9.069250 -4.516739 4 P I 2 "PRO " " C " 6 0 A0A0A0 C5013 0 1 2 <> 1 5.11 1657 4
28 15 -2.741452 9.740304 -3.697401 4 P I 75 "PRO " " O " 8 0 FF5757 O5014 0 1 2 <> 1 3 1658 4
29 3 -2.047903 7.164320 -5.407323 4 P I 2 "PRO " " CB " 6 0 A0A0A0 C5015 0 1 2 <> 1 3 1659 4
30 3 -0.544535 7.404641 -5.400342 4 P I 2 "PRO " " CG " 6 0 A0A0A0 C5016 0 1 2 <> 1 14.11 1660 4
31 3 -0.269141 8.562817 -6.317336 4 P I 2 "PRO " " CD " 6 0 A0A0A0 C5017 0 1 2 <> 1 3.6 1661 4
32 25 -4.670457 8.765201 -4.432167 5 R I 38 "ARG " " N " 7 0 2F2FFF N5018 0 1 2 <> 1 3 1662 5
33 3 -5.578190 9.375627 -3.503402 5 R I 2 "ARG " " CA " 6 0 A0A0A0 C5019 0 1 -9 006400 1 13.81 1663 5
34 2 -5.641462 8.642245 -2.201079 5 R I 2 "ARG " " C " 6 0 A0A0A0 C5020 0 1 2 <> 1 3 1664 5
35 15 -6.708649 8.601555 -1.602813 5 R I 75 "ARG " " O " 8 0 FF5757 O5021 0 1 2 <> 1 3 1665 5
36 3 -6.926035 9.838032 -4.110596 5 R I 2 "ARG " " CB " 6 0 A0A0A0 C5022 0 1 2 <> 1 3 1666 5
37 3 -6.623034 10.963665 -5.148350 5 R I 2 "ARG " " CG " 6 0 A0A0A0 C5023 0 1 2 <> 1 4.47 1667 5
38 3 -7.810057 11.433980 -5.988069 5 R I 2 "ARG " " CD " 6 0 A0A0A0 C5024 0 1 2 <> 1 3 1668 5
39 25 -7.337011 12.640605 -6.614072 5 R I 38 "ARG " " NE " 7 0 2F2FFF N5025 0 1 2 <> 1 3 1669 5
40 2 -8.128566 13.330951 -7.396128 5 R I 2 "ARG " " CZ " 6 0 A0A0A0 C5026 0 1 2 <> 1 6.07 1670 5
41 25 -9.333126 12.895115 -7.694484 5 R I 38 "ARG " " NH1" 7 0 2F2FFF N5027 0 1 2 <> 1 4.5 1671 5
42 31 -7.793412 14.501304 -7.861882 5 R I 38 "ARG " " NH2" 7 1 2F2FFF N5028 0 1 2 <> 1 5.62 1672 5
43 25 -4.536809 8.016162 -1.844460 6 I I 38 "ILE " " N " 7 0 2F2FFF N5029 0 1 2 <> 1 3.77 1673 6
44 3 -4.564404 7.287816 -0.487358 6 I I 2 "ILE " " CA " 6 0 A0A0A0 C5030 0 1 -9 006400 1 3 1674 6
45 2 -4.247546 8.297031 0.634666 6 I I 2 "ILE " " C " 6 0 A0A0A0 C5031 0 1 2 <> 1 9.34 1675 6
46 15 -3.463788 9.270458 0.448554 6 I I 75 "ILE " " O " 8 0 FF5757 O5032 0 1 2 <> 1 5.14 1676 6
47 3 -3.490723 6.114571 -0.463308 6 I I 2 "ILE " " CB " 6 0 A0A0A0 C5033 0 1 2 <> 1 7.04 1677 6
48 3 -3.399666 5.301340 0.844291 6 I I 2 "ILE " " CG1" 6 0 A0A0A0 C5034 0 1 2 <> 1 3 1678 6
49 3 -2.102026 6.615899 -0.995529 6 I I 2 "ILE " " CG2" 6 0 A0A0A0 C5035 0 1 2 <> 1 3.1 1679 6
50 3 -2.523588 4.065408 0.638849 6 I I 2 "ILE " " CD1" 6 0 A0A0A0 C5036 0 1 2 <> 1 4.89 1680 6
51 25 -4.842939 8.000023 1.814835 7 L I 38 "LEU " " N " 7 0 2F2FFF N5037 0 1 2 <> 1 11.09 1681 7
52 3 -4.508724 8.847783 2.988279 7 L I 2 "LEU " " CA " 6 0 A0A0A0 C5038 0 1 -9 006400 1 3 1682 7
53 2 -3.248577 8.256209 3.600826 7 L I 2 "LEU " " C " 6 0 A0A0A0 C5039 0 1 2 <> 1 12.66 1683 7
54 15 -3.256039 7.077016 3.961928 7 L I 75 "LEU " " O " 8 0 FF5757 O5040 0 1 2 <> 1 4.25 1684 7
55 3 -5.619028 8.775235 4.046422 7 L I 2 "LEU " " CB " 6 0 A0A0A0 C5041 0 1 2 <> 1 7.89 1685 7
56 3 -5.382164 9.671785 5.320881 7 L I 2 "LEU " " CG " 6 0 A0A0A0 C5042 0 1 2 <> 1 13.86 1686 7
57 3 -5.018002 11.087306 4.898092 7 L I 2 "LEU " " CD1" 6 0 A0A0A0 C5043 0 1 2 <> 1 13.88 1687 7
58 3 -6.678247 9.809641 6.153202 7 L I 2 "LEU " " CD2" 6 0 A0A0A0 C5044 0 1 2 <> 1 5.11 1688 7
59 25 -2.149378 9.036479 3.540554 8 M I 38 "MET " " N " 7 0 2F2FFF N5045 0 1 2 <> 1 8.64 1689 8
60 3 -0.873765 8.554832 4.018848 8 M I 2 "MET " " CA " 6 0 A0A0A0 C5046 0 1 -9 006400 1 3 1690 8
61 2 -0.152489 9.618347 4.864452 8 M I 2 "MET " " C " 6 0 A0A0A0 C5047 0 1 2 <> 1 11.88 1691 8
62 15 0.031395 10.763150 4.423718 8 M I 75 "MET " " O " 8 0 FF5757 O5048 0 1 2 <> 1 4.49 1692 8
63 3 -0.050889 8.096947 2.809418 8 M I 2 "MET " " CB " 6 0 A0A0A0 C5049 0 1 2 <> 1 5.23 1693 8
64 3 1.357874 7.561447 3.116747 8 M I 2 "MET " " CG " 6 0 A0A0A0 C5050 0 1 2 <> 1 12.17 1694 8
65 49 2.225434 6.691542 1.704219 8 M I 13 "MET " " SD " 16 0 E1E11E S5051 0 1 2 <> 1 24.21 1695 8
66 3 0.787508 5.823917 1.015973 8 M I 2 "MET " " CE " 6 0 A0A0A0 C5052 0 1 2 <> 1 21.4 1696 8
67 25 0.128010 9.246743 6.130565 9 E I 38 "GLU " " N " 7 0 2F2FFF N5053 0 1 2 <> 1 7.23 1697 9
68 3 0.891065 10.153975 7.041401 9 E I 2 "GLU " " CA " 6 0 A0A0A0 C5054 0 1 -9 006400 1 26.64 1698 9
69 2 2.302658 10.332072 6.481645 9 E I 2 "GLU " " C " 6 0 A0A0A0 C5055 0 1 2 <> 1 23.44 1699 9
70 15 2.879288 9.391588 5.930212 9 E I 75 "GLU " " O " 8 0 FF5757 O5056 0 1 2 <> 1 15.55 1700 9
71 3 0.991230 9.492016 8.440957 9 E I 2 "GLU " " CB " 6 0 A0A0A0 C5057 0 1 2 <> 1 10.59 1701 9
72 3 -0.221077 9.794034 9.339298 9 E I 2 "GLU " " CG " 6 0 A0A0A0 C5058 0 1 2 <> 1 28.46 1702 9
73 2 -0.327914 8.813874 10.515239 9 E I 2 "GLU " " CD " 6 0 A0A0A0 C5059 0 1 2 <> 1 17.54 1703 9
74 15 0.586118 8.660764 11.345656 9 E I 75 "GLU " " OE1" 8 0 FF5757 O5060 0 1 2 <> 1 29.4 1704 9
75 18 -1.341461 8.112837 10.688697 9 E I 75 "GLU " " OE2" 8 -1 FF5757 O5061 0 1 2 <> 1 26.45 1705 9
76 25 2.906096 11.494843 6.624635 10 C I 38 "CYS " " N " 7 0 2F2FFF N5062 0 1 2 <> 1 6.88 1706 10
77 3 4.330153 11.490020 6.236667 10 C I 2 "CYS " " CA " 6 0 A0A0A0 C5063 0 1 -9 006400 1 5.74 1707 10
78 2 5.130591 12.453247 7.137249 10 C I 2 "CYS " " C " 6 0 A0A0A0 C5064 0 1 2 <> 1 33.94 1708 10
79 15 4.551753 13.385017 7.700049 10 C I 75 "CYS " " O " 8 0 FF5757 O5065 0 1 2 <> 1 14.26 1709 10
80 3 4.373110 11.933778 4.780072 10 C I 2 "CYS " " CB " 6 0 A0A0A0 C5066 0 1 2 <> 1 3 1710 10
81 49 3.465456 13.474065 4.536768 10 C I 13 "CYS " " SG " 16 0 E1E11E S5067 0 1 2 <> 1 5.5 1711 10
82 25 6.445284 12.443447 7.028802 11 K I 38 "LYS " " N " 7 0 2F2FFF N5068 0 1 2 <> 1 23.7 1712 11
83 3 7.263938 13.544174 7.606976 11 K I 2 "LYS " " CA " 6 0 A0A0A0 C5069 0 1 -9 006400 1 11.76 1713 11
84 2 8.140598 14.223976 6.559349 11 K I 2 "LYS " " C " 6 0 A0A0A0 C5070 0 1 2 <> 1 12.95 1714 11
85 15 8.540002 15.388412 6.721343 11 K I 75 "LYS " " O " 8 0 FF5757 O5071 0 1 2 <> 1 12.13 1715 11
86 3 8.197942 12.996003 8.680271 11 K I 2 "LYS " " CB " 6 0 A0A0A0 C5072 0 1 2 <> 1 17.39 1716 11
87 3 7.470667 12.823151 10.018331 11 K I 2 "LYS " " CG " 6 0 A0A0A0 C5073 0 1 2 <> 1 30.12 1717 11
88 3 8.448700 12.517681 11.169047 11 K I 2 "LYS " " CD " 6 0 A0A0A0 C5074 0 1 2 <> 0 32.78 1718 11
89 3 7.972283 11.354414 12.062358 11 K I 2 "LYS " " CE " 6 0 A0A0A0 C5075 0 1 2 <> 1 39.14 1719 11
90 32 8.448078 10.089046 11.525921 11 K I 38 "LYS " " NZ " 7 1 2F2FFF N5076 0 1 2 <> 1 43.85 1720 11
91 25 8.472112 13.448161 5.527441 12 K I 38 "LYS " " N " 7 0 2F2FFF N5077 0 1 2 <> 1 13.8 1721 12
92 3 9.101618 14.090751 4.399935 12 K I 2 "LYS " " CA " 6 0 A0A0A0 C5078 0 1 -9 006400 1 13.15 1722 12
93 2 8.496289 13.671224 3.077445 12 K I 2 "LYS " " C " 6 0 A0A0A0 C5079 0 1 2 <> 1 22.23 1723 12
94 15 7.787434 12.668160 3.079872 12 K I 75 "LYS " " O " 8 0 FF5757 O5080 0 1 2 <> 1 8.06 1724 12
95 3 10.582550 13.815263 4.351306 12 K I 2 "LYS " " CB " 6 0 A0A0A0 C5081 0 1 2 <> 1 11.87 1725 12
96 3 10.835900 12.366271 4.594159 12 K I 2 "LYS " " CG " 6 0 A0A0A0 C5082 0 1 2 <> 1 11.39 1726 12
97 3 11.912376 12.320120 5.693142 12 K I 2 "LYS " " CD " 6 0 A0A0A0 C5083 0 1 2 <> 1 31.1 1727 12
98 3 13.031162 11.479024 5.162916 12 K I 2 "LYS " " CE " 6 0 A0A0A0 C5084 0 1 2 <> 1 42.73 1728 12
99 32 12.358721 10.295819 4.640180 12 K I 38 "LYS " " NZ " 7 1 2F2FFF N5085 0 1 2 <> 1 41.01 1729 12
100 25 8.804198 14.482827 2.038855 13 D I 38 "ASP " " N " 7 0 2F2FFF N5086 0 1 2 <> 1 11.51 1730 13
101 3 8.259692 14.187467 0.700022 13 D I 2 "ASP " " CA " 6 0 A0A0A0 C5087 0 1 -9 006400 1 8.27 1731 13
102 2 8.449073 12.715508 0.333774 13 D I 2 "ASP " " C " 6 0 A0A0A0 C5088 0 1 2 <> 1 18.87 1732 13
103 15 7.560651 12.099860 -0.244334 13 D I 75 "ASP " " O " 8 0 FF5757 O5089 0 1 2 <> 1 27.37 1733 13
104 3 8.880381 15.038154 -0.422926 13 D I 2 "ASP " " CB " 6 0 A0A0A0 C5090 0 1 2 <> 1 24.47 1734 13
105 2 8.356086 16.461405 -0.319456 13 D I 2 "ASP " " CG " 6 0 A0A0A0 C5091 0 1 2 <> 1 13.86 1735 13
106 15 7.345264 16.767759 0.353191 13 D I 75 "ASP " " OD1" 8 0 FF5757 O5092 0 1 2 <> 1 8.36 1736 13
107 18 8.947157 17.375652 -0.918106 13 D I 75 "ASP " " OD2" 8 -1 FF5757 O5093 0 1 2 <> 1 10.42 1737 13
108 25 9.630903 12.246244 0.643401 14 S I 38 "SER " " N " 7 0 2F2FFF N5094 0 1 2 <> 1 5.77 1738 14
109 3 10.159579 10.917700 0.230066 14 S I 2 "SER " " CA " 6 0 A0A0A0 C5095 0 1 -9 006400 1 8.51 1739 14
110 2 9.368536 9.807006 0.906111 14 S I 2 "SER " " C " 6 0 A0A0A0 C5096 0 1 2 <> 1 3.52 1740 14
111 15 9.251394 8.714621 0.374702 14 S I 75 "SER " " O " 8 0 FF5757 O5097 0 1 2 <> 1 13.85 1741 14
112 3 11.647918 10.796247 0.640994 14 S I 2 "SER " " CB " 6 0 A0A0A0 C5098 0 1 2 <> 1 20.5 1742 14
113 16 11.748790 10.445801 2.024799 14 S I 75 "SER " " OG " 8 0 FF5757 O5099 0 1 2 <> 1 24.94 1743 14
114 25 8.622238 10.183979 1.925072 15 D I 38 "ASP " " N " 7 0 2F2FFF N5100 0 1 2 <> 1 5.92 1744 15
115 3 7.690465 9.184941 2.488788 15 D I 2 "ASP " " CA " 6 0 A0A0A0 C5101 0 1 -9 006400 1 10.99 1745 15
116 2 6.531018 8.829324 1.542970 15 D I 2 "ASP " " C " 6 0 A0A0A0 C5102 0 1 2 <> 1 22.47 1746 15
117 15 5.775759 7.919367 1.867997 15 D I 75 "ASP " " O " 8 0 FF5757 O5103 0 1 2 <> 1 12.29 1747 15
118 3 7.082890 9.737813 3.788750 15 D I 2 "ASP " " CB " 6 0 A0A0A0 C5104 0 1 2 <> 1 9.99 1748 15
119 2 8.147609 9.849107 4.897055 15 D I 2 "ASP " " CG " 6 0 A0A0A0 C5105 0 1 2 <> 1 13.56 1749 15
120 15 9.247937 9.251730 4.828617 15 D I 75 "ASP " " OD1" 8 0 FF5757 O5106 0 1 2 <> 1 16.33 1750 15
121 18 7.931089 10.564002 5.904247 15 D I 75 "ASP " " OD2" 8 -1 FF5757 O5107 0 1 2 <> 1 14.39 1751 15
122 25 6.234317 9.685081 0.574746 16 C I 38 "CYS " " N " 7 0 2F2FFF N5108 0 1 2 <> 1 4.27 1752 16
123 3 4.943537 9.578983 -0.113980 16 C I 2 "CYS " " CA " 6 0 A0A0A0 C5109 0 1 -9 006400 1 3 1753 16
124 2 4.961104 8.632525 -1.320004 16 C I 2 "CYS " " C " 6 0 A0A0A0 C5110 0 1 2 <> 1 11.88 1754 16
125 15 6.021679 8.462767 -1.896043 16 C I 75 "CYS " " O " 8 0 FF5757 O5111 0 1 2 <> 1 15.03 1755 16
126 3 4.454221 10.963313 -0.524556 16 C I 2 "CYS " " CB " 6 0 A0A0A0 C5112 0 1 2 <> 1 3 1756 16
127 49 4.083781 11.918729 0.943548 16 C I 13 "CYS " " SG " 16 0 E1E11E S5113 0 1 2 <> 1 5.76 1757 16
128 25 3.767011 8.303807 -1.885064 17 L I 38 "LEU " " N " 7 0 2F2FFF N5114 0 1 2 <> 1 12.85 1758 17
129 3 3.782724 7.514171 -3.133722 17 L I 2 "LEU " " CA " 6 0 A0A0A0 C5115 0 1 -9 006400 1 10.24 1759 17
130 2 3.968750 8.411663 -4.351761 17 L I 2 "LEU " " C " 6 0 A0A0A0 C5116 0 1 2 <> 1 6.48 1760 17
131 15 3.298480 9.425171 -4.468644 17 L I 75 "LEU " " O " 8 0 FF5757 O5117 0 1 2 <> 1 11.35 1761 17
132 3 2.528393 6.670042 -3.374418 17 L I 2 "LEU " " CB " 6 0 A0A0A0 C5118 0 1 2 <> 1 9.83 1762 17
133 3 2.201692 5.543789 -2.410365 17 L I 2 "LEU " " CG " 6 0 A0A0A0 C5119 0 1 2 <> 1 14.51 1763 17
134 3 0.941164 4.777167 -2.887924 17 L I 2 "LEU " " CD1" 6 0 A0A0A0 C5120 0 1 2 <> 1 14.44 1764 17
135 3 3.395527 4.575184 -2.383637 17 L I 2 "LEU " " CD2" 6 0 A0A0A0 C5121 0 1 2 <> 1 22.84 1765 17
136 25 4.551886 7.830215 -5.395881 18 A I 38 "ALA " " N " 7 0 2F2FFF N5122 0 1 2 <> 1 10.63 1766 18
137 3 4.476751 8.417120 -6.762069 18 A I 2 "ALA " " CA " 6 0 A0A0A0 C5123 0 1 -9 006400 1 10.47 1767 18
138 2 4.984112 9.842057 -6.819380 18 A I 2 "ALA " " C " 6 0 A0A0A0 C5124 0 1 2 <> 1 12.73 1768 18
139 15 6.001936 10.146113 -6.226262 18 A I 75 "ALA " " O " 8 0 FF5757 O5125 0 1 2 <> 1 19.62 1769 18
140 3 3.107102 8.298336 -7.502937 18 A I 2 "ALA " " CB " 6 0 A0A0A0 C5126 0 1 2 <> 1 3 1770 18
141 25 4.200119 10.731138 -7.347498 19 E I 38 "GLU " " N " 7 0 2F2FFF N5127 0 1 2 <> 1 5.57 1771 19
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307 41 -0.144323 10.811896 9.721614 9 E I 21 "GLU " " HG2" 1 0 FFFFFF H307 -1 0 1 <> <> <> <> <>
308 43 2.392147 12.290903 6.974271 10 C I 21 "CYS " " H " 1 0 FFFFFF H308 -1 0 1 <> <> <> <> <>
309 41 4.733057 10.481209 6.326499 10 C I 21 "CYS " " HA " 1 0 FFFFFF H309 -1 0 1 <> <> <> <> <>
310 41 3.941865 11.155259 4.150758 10 C I 21 "CYS " " HB3" 1 0 FFFFFF H310 -1 0 1 <> <> <> <> <>
311 41 5.409921 12.071269 4.473119 10 C I 21 "CYS " " HB2" 1 0 FFFFFF H311 -1 0 1 <> <> <> <> <>
312 43 6.906810 11.683622 6.549469 11 K I 21 "LYS " " H " 1 0 FFFFFF H312 -1 0 1 <> <> <> <> <>
313 41 6.601525 14.285329 8.054186 11 K I 21 "LYS " " HA " 1 0 FFFFFF H313 -1 0 1 <> <> <> <> <>
314 41 9.039930 13.675915 8.810188 11 K I 21 "LYS " " HB3" 1 0 FFFFFF H314 -1 0 1 <> <> <> <> <>
315 41 8.596909 12.034419 8.357343 11 K I 21 "LYS " " HB2" 1 0 FFFFFF H315 -1 0 1 <> <> <> <> <>
316 41 6.745060 12.014071 9.934765 11 K I 21 "LYS " " HG3" 1 0 FFFFFF H316 -1 0 1 <> <> <> <> <>
317 41 6.912987 13.731124 10.247849 11 K I 21 "LYS " " HG2" 1 0 FFFFFF H317 -1 0 1 <> <> <> <> <>
318 41 8.581427 13.411557 11.778531 11 K I 21 "LYS " " HD3" 1 0 FFFFFF H318 -1 0 1 <> <> <> <> <>
319 41 9.429544 12.279969 10.757296 11 K I 21 "LYS " " HD2" 1 0 FFFFFF H319 -1 0 1 <> <> <> <> <>
320 41 6.882901 11.346858 12.098283 11 K I 21 "LYS " " HE3" 1 0 FFFFFF H320 -1 0 1 <> <> <> <> <>
321 41 8.360217 11.489560 13.071984 11 K I 21 "LYS " " HE2" 1 0 FFFFFF H321 -1 0 1 <> <> <> <> <>
322 44 8.132236 9.332624 12.115979 11 K I 21 "LYS " " HZ1" 1 0 FFFFFF H322 -1 0 1 <> <> <> <> <>
323 44 8.085236 9.960988 10.592087 11 K I 21 "LYS " " HZ2" 1 0 FFFFFF H323 -1 0 1 <> <> <> <> <>
324 44 9.457644 10.093556 11.496643 11 K I 21 "LYS " " HZ3" 1 0 FFFFFF H324 -1 0 1 <> <> <> <> <>
325 43 8.280147 12.457062 5.558602 12 K I 21 "LYS " " H " 1 0 FFFFFF H325 -1 0 1 <> <> <> <> <>
326 41 8.963441 15.166711 4.506316 12 K I 21 "LYS " " HA " 1 0 FFFFFF H326 -1 0 1 <> <> <> <> <>
327 41 11.086920 14.405269 5.116554 12 K I 21 "LYS " " HB3" 1 0 FFFFFF H327 -1 0 1 <> <> <> <> <>
328 41 10.971459 14.092616 3.371549 12 K I 21 "LYS " " HB2" 1 0 FFFFFF H328 -1 0 1 <> <> <> <> <>
329 41 11.227591 11.910278 3.684901 12 K I 21 "LYS " " HG3" 1 0 FFFFFF H329 -1 0 1 <> <> <> <> <>
330 41 9.923646 11.896257 4.961553 12 K I 21 "LYS " " HG2" 1 0 FFFFFF H330 -1 0 1 <> <> <> <> <>
331 41 11.498681 11.851758 6.586222 12 K I 21 "LYS " " HD3" 1 0 FFFFFF H331 -1 0 1 <> <> <> <> <>
332 41 12.277256 13.329036 5.885629 12 K I 21 "LYS " " HD2" 1 0 FFFFFF H332 -1 0 1 <> <> <> <> <>
333 41 13.684556 11.188294 5.985505 12 K I 21 "LYS " " HE3" 1 0 FFFFFF H333 -1 0 1 <> <> <> <> <>
334 41 13.521524 12.005983 4.344405 12 K I 21 "LYS " " HE2" 1 0 FFFFFF H334 -1 0 1 <> <> <> <> <>
335 44 13.043737 9.660923 4.255786 12 K I 21 "LYS " " HZ1" 1 0 FFFFFF H335 -1 0 1 <> <> <> <> <>
336 44 11.855978 9.836570 5.386129 12 K I 21 "LYS " " HZ2" 1 0 FFFFFF H336 -1 0 1 <> <> <> <> <>
337 44 11.709925 10.569090 3.915964 12 K I 21 "LYS " " HZ3" 1 0 FFFFFF H337 -1 0 1 <> <> <> <> <>
338 43 9.402552 15.283496 2.183769 13 D I 21 "ASP " " H " 1 0 FFFFFF H338 -1 0 1 <> <> <> <> <>
339 41 7.189227 14.391754 0.721711 13 D I 21 "ASP " " HA " 1 0 FFFFFF H339 -1 0 1 <> <> <> <> <>
340 41 8.604544 14.619072 -1.390595 13 D I 21 "ASP " " HB3" 1 0 FFFFFF H340 -1 0 1 <> <> <> <> <>
341 41 9.965293 15.042353 -0.317812 13 D I 21 "ASP " " HB2" 1 0 FFFFFF H341 -1 0 1 <> <> <> <> <>
342 43 10.262427 12.799043 1.205264 14 S I 21 "SER " " H " 1 0 FFFFFF H342 -1 0 1 <> <> <> <> <>
343 41 10.073912 10.815375 -0.851734 14 S I 21 "SER " " HA " 1 0 FFFFFF H343 -1 0 1 <> <> <> <> <>
344 41 12.150606 11.748171 0.469982 14 S I 21 "SER " " HB3" 1 0 FFFFFF H344 -1 0 1 <> <> <> <> <>
345 41 12.130105 10.028441 0.035958 14 S I 21 "SER " " HB2" 1 0 FFFFFF H345 -1 0 1 <> <> <> <> <>
346 42 12.674003 10.372820 2.270269 14 S I 21 "SER " " HG " 1 0 FFFFFF H346 -1 0 1 <> <> <> <> <>
347 43 8.701343 11.122839 2.288917 15 D I 21 "ASP " " H " 1 0 FFFFFF H347 -1 0 1 <> <> <> <> <>
348 41 8.246863 8.276506 2.719584 15 D I 21 "ASP " " HA " 1 0 FFFFFF H348 -1 0 1 <> <> <> <> <>
349 41 6.279583 9.080731 4.121979 15 D I 21 "ASP " " HB3" 1 0 FFFFFF H349 -1 0 1 <> <> <> <> <>
350 41 6.652781 10.721173 3.598727 15 D I 21 "ASP " " HB2" 1 0 FFFFFF H350 -1 0 1 <> <> <> <> <>
351 43 6.895085 10.403770 0.315955 16 C I 21 "CYS " " H " 1 0 FFFFFF H351 -1 0 1 <> <> <> <> <>
352 41 4.225173 9.179620 0.601955 16 C I 21 "CYS " " HA " 1 0 FFFFFF H352 -1 0 1 <> <> <> <> <>
353 41 3.553603 10.865074 -1.130639 16 C I 21 "CYS " " HB3" 1 0 FFFFFF H353 -1 0 1 <> <> <> <> <>
354 41 5.231219 11.467355 -1.099287 16 C I 21 "CYS " " HB2" 1 0 FFFFFF H354 -1 0 1 <> <> <> <> <>
355 43 2.904386 8.599027 -1.450525 17 L I 21 "LEU " " H " 1 0 FFFFFF H355 -1 0 1 <> <> <> <> <>
356 41 4.635173 6.836471 -3.087324 17 L I 21 "LEU " " HA " 1 0 FFFFFF H356 -1 0 1 <> <> <> <> <>
357 41 2.556604 6.272618 -4.388991 17 L I 21 "LEU " " HB3" 1 0 FFFFFF H357 -1 0 1 <> <> <> <> <>
358 41 1.665233 7.330787 -3.454856 17 L I 21 "LEU " " HB2" 1 0 FFFFFF H358 -1 0 1 <> <> <> <> <>
359 41 2.032024 5.948832 -1.412742 17 L I 21 "LEU " " HG " 1 0 FFFFFF H359 -1 0 1 <> <> <> <> <>
360 41 0.717852 3.972193 -2.187746 17 L I 21 "LEU " "HD11" 1 0 FFFFFF H360 -1 0 1 <> <> <> <> <>
361 41 0.094716 5.462301 -2.935021 17 L I 21 "LEU " "HD12" 1 0 FFFFFF H361 -1 0 1 <> <> <> <> <>
362 41 1.123634 4.357382 -3.877159 17 L I 21 "LEU " "HD13" 1 0 FFFFFF H362 -1 0 1 <> <> <> <> <>
363 41 3.184017 3.755870 -1.696549 17 L I 21 "LEU " "HD21" 1 0 FFFFFF H363 -1 0 1 <> <> <> <> <>
364 41 3.562531 4.175836 -3.384002 17 L I 21 "LEU " "HD22" 1 0 FFFFFF H364 -1 0 1 <> <> <> <> <>
365 41 4.287552 5.106220 -2.051384 17 L I 21 "LEU " "HD23" 1 0 FFFFFF H365 -1 0 1 <> <> <> <> <>
366 43 5.062473 6.967427 -5.273415 18 A I 21 "ALA " " H " 1 0 FFFFFF H366 -1 0 1 <> <> <> <> <>
367 41 5.178776 7.838171 -7.362135 18 A I 21 "ALA " " HA " 1 0 FFFFFF H367 -1 0 1 <> <> <> <> <>
368 41 3.183515 8.763455 -8.485752 18 A I 21 "ALA " " HB1" 1 0 FFFFFF H368 -1 0 1 <> <> <> <> <>
369 41 2.846066 7.246403 -7.618677 18 A I 21 "ALA " " HB2" 1 0 FFFFFF H369 -1 0 1 <> <> <> <> <>
370 41 2.334412 8.802129 -6.922208 18 A I 21 "ALA " " HB3" 1 0 FFFFFF H370 -1 0 1 <> <> <> <> <>
371 43 3.352502 10.443046 -7.815099 19 E I 21 "GLU " " H " 1 0 FFFFFF H371 -1 0 1 <> <> <> <> <>
372 41 5.592887 12.194812 -6.834659 19 E I 21 "GLU " " HA " 1 0 FFFFFF H372 -1 0 1 <> <> <> <> <>
373 41 4.698740 13.897201 -8.439303 19 E I 21 "GLU " " HB3" 1 0 FFFFFF H373 -1 0 1 <> <> <> <> <>
374 41 3.525493 12.722323 -9.005918 19 E I 21 "GLU " " HB2" 1 0 FFFFFF H374 -1 0 1 <> <> <> <> <>
375 41 6.088069 11.416218 -9.128525 19 E I 21 "GLU " " HG3" 1 0 FFFFFF H375 -1 0 1 <> <> <> <> <>
376 41 6.321093 13.028855 -9.798075 19 E I 21 "GLU " " HG2" 1 0 FFFFFF H376 -1 0 1 <> <> <> <> <>
377 43 3.332430 11.207809 -5.274979 20 C I 21 "CYS " " H " 1 0 FFFFFF H377 -1 0 1 <> <> <> <> <>
378 41 1.979163 13.724051 -4.575960 20 C I 21 "CYS " " HA " 1 0 FFFFFF H378 -1 0 1 <> <> <> <> <>
379 41 1.688691 12.651007 -2.311769 20 C I 21 "CYS " " HB3" 1 0 FFFFFF H379 -1 0 1 <> <> <> <> <>
380 41 2.656683 11.337327 -2.816809 20 C I 21 "CYS " " HB2" 1 0 FFFFFF H380 -1 0 1 <> <> <> <> <>
381 43 2.506069 15.161506 -2.767990 21 V I 21 "VAL " " H " 1 0 FFFFFF H381 -1 0 1 <> <> <> <> <>
382 41 5.357344 14.735418 -1.797721 21 V I 21 "VAL " " HA " 1 0 FFFFFF H382 -1 0 1 <> <> <> <> <>
383 41 5.529693 17.194294 -1.563703 21 V I 21 "VAL " " HB " 1 0 FFFFFF H383 -1 0 1 <> <> <> <> <>
384 41 5.608932 17.814022 -3.970177 21 V I 21 "VAL " "HG11" 1 0 FFFFFF H384 -1 0 1 <> <> <> <> <>
385 41 6.311694 16.203158 -3.690211 21 V I 21 "VAL " "HG12" 1 0 FFFFFF H385 -1 0 1 <> <> <> <> <>
386 41 4.676378 16.353603 -4.375959 21 V I 21 "VAL " "HG13" 1 0 FFFFFF H386 -1 0 1 <> <> <> <> <>
387 41 3.754799 18.672863 -2.520784 21 V I 21 "VAL " "HG21" 1 0 FFFFFF H387 -1 0 1 <> <> <> <> <>
388 41 2.738986 17.242400 -2.819185 21 V I 21 "VAL " "HG22" 1 0 FFFFFF H388 -1 0 1 <> <> <> <> <>
389 41 3.150486 17.709421 -1.151942 21 V I 21 "VAL " "HG23" 1 0 FFFFFF H389 -1 0 1 <> <> <> <> <>
390 43 5.733778 15.873170 0.456535 22 C I 21 "CYS " " H " 1 0 FFFFFF H390 -1 0 1 <> <> <> <> <>
391 41 3.487007 14.922976 2.161951 22 C I 21 "CYS " " HA " 1 0 FFFFFF H391 -1 0 1 <> <> <> <> <>
392 41 6.169277 16.101679 2.975397 22 C I 21 "CYS " " HB3" 1 0 FFFFFF H392 -1 0 1 <> <> <> <> <>
393 41 5.952754 14.402599 2.632286 22 C I 21 "CYS " " HB2" 1 0 FFFFFF H393 -1 0 1 <> <> <> <> <>
394 43 1.962470 16.406932 2.729695 23 L I 21 "LEU " " H " 1 0 FFFFFF H394 -1 0 1 <> <> <> <> <>
395 41 2.899936 19.253510 2.345832 23 L I 21 "LEU " " HA " 1 0 FFFFFF H395 -1 0 1 <> <> <> <> <>
396 41 0.433038 19.740178 2.552900 23 L I 21 "LEU " " HB3" 1 0 FFFFFF H396 -1 0 1 <> <> <> <> <>
397 41 0.169439 17.983175 2.794738 23 L I 21 "LEU " " HB2" 1 0 FFFFFF H397 -1 0 1 <> <> <> <> <>
398 41 1.503163 17.663741 0.628220 23 L I 21 "LEU " " HG " 1 0 FFFFFF H398 -1 0 1 <> <> <> <> <>
399 41 -0.501242 18.075035 -0.754765 23 L I 21 "LEU " "HD11" 1 0 FFFFFF H399 -1 0 1 <> <> <> <> <>
400 41 -0.917709 17.333008 0.808274 23 L I 21 "LEU " "HD12" 1 0 FFFFFF H400 -1 0 1 <> <> <> <> <>
401 41 -1.187427 19.072925 0.549270 23 L I 21 "LEU " "HD13" 1 0 FFFFFF H401 -1 0 1 <> <> <> <> <>
402 41 1.542185 19.635912 -0.892345 23 L I 21 "LEU " "HD21" 1 0 FFFFFF H402 -1 0 1 <> <> <> <> <>
403 41 0.884452 20.646122 0.416854 23 L I 21 "LEU " "HD22" 1 0 FFFFFF H403 -1 0 1 <> <> <> <> <>
404 41 2.500387 19.918701 0.580414 23 L I 21 "LEU " "HD23" 1 0 FFFFFF H404 -1 0 1 <> <> <> <> <>
405 43 2.098827 20.918258 3.870847 24 E I 21 "GLU " " H " 1 0 FFFFFF H405 -1 0 1 <> <> <> <> <>
406 41 3.141687 21.119977 6.223796 24 E I 21 "GLU " " HA " 1 0 FFFFFF H406 -1 0 1 <> <> <> <> <>
407 41 0.383868 22.202732 5.565809 24 E I 21 "GLU " " HB3" 1 0 FFFFFF H407 -1 0 1 <> <> <> <> <>
408 41 1.833416 22.781360 4.830775 24 E I 21 "GLU " " HB2" 1 0 FFFFFF H408 -1 0 1 <> <> <> <> <>
409 41 2.716926 23.557243 6.990977 24 E I 21 "GLU " " HG3" 1 0 FFFFFF H409 -1 0 1 <> <> <> <> <>
410 41 1.324253 22.823681 7.843496 24 E I 21 "GLU " " HG2" 1 0 FFFFFF H410 -1 0 1 <> <> <> <> <>
411 43 -0.274241 19.598454 6.216998 25 H I 21 "HID " " H " 1 0 FFFFFF H411 -1 0 1 <> <> <> <> <>
412 41 0.300795 19.271117 9.179149 25 H I 21 "HID " " HA " 1 0 FFFFFF H412 -1 0 1 <> <> <> <> <>
413 41 -1.927040 18.687709 9.621556 25 H I 21 "HID " " HB3" 1 0 FFFFFF H413 -1 0 1 <> <> <> <> <>
414 41 -2.257572 18.329052 7.875217 25 H I 21 "HID " " HB2" 1 0 FFFFFF H414 -1 0 1 <> <> <> <> <>
415 43 -2.487860 20.254817 6.269186 25 H I 21 "HID " " HD1" 1 0 FFFFFF H415 -1 0 1 <> <> <> <> <>
416 41 -1.705693 21.320163 10.229377 25 H I 21 "HID " " HD2" 1 0 FFFFFF H416 -1 0 1 <> <> <> <> <>
417 41 -3.095782 22.825142 6.290189 25 H I 21 "HID " " HE1" 1 0 FFFFFF H417 -1 0 1 <> <> <> <> <>
418 43 1.584084 17.588926 7.021352 26 G I 21 "GLY " " H " 1 0 FFFFFF H418 -1 0 1 <> <> <> <> <>
419 41 1.715699 15.411959 8.964018 26 G I 21 "GLY " " HA3" 1 0 FFFFFF H419 -1 0 1 <> <> <> <> <>
420 41 2.809757 15.691543 7.607545 26 G I 21 "GLY " " HA2" 1 0 FFFFFF H420 -1 0 1 <> <> <> <> <>
421 43 0.367359 15.999253 5.845800 27 Y I 21 "TYR " " H " 1 0 FFFFFF H421 -1 0 1 <> <> <> <> <>
422 41 0.054538 13.014343 5.470159 27 Y I 21 "TYR " " HA " 1 0 FFFFFF H422 -1 0 1 <> <> <> <> <>
423 41 -2.153902 13.621144 4.309257 27 Y I 21 "TYR " " HB3" 1 0 FFFFFF H423 -1 0 1 <> <> <> <> <>
424 41 -1.986859 15.220398 4.984898 27 Y I 21 "TYR " " HB2" 1 0 FFFFFF H424 -1 0 1 <> <> <> <> <>
425 41 -2.046384 11.621168 6.020484 27 Y I 21 "TYR " " HD1" 1 0 FFFFFF H425 -1 0 1 <> <> <> <> <>
426 41 -2.828792 15.670538 7.099232 27 Y I 21 "TYR " " HD2" 1 0 FFFFFF H426 -1 0 1 <> <> <> <> <>
427 41 -2.980453 10.823892 8.144322 27 Y I 21 "TYR " " HE1" 1 0 FFFFFF H427 -1 0 1 <> <> <> <> <>
428 41 -3.798863 14.890572 9.258790 27 Y I 21 "TYR " " HE2" 1 0 FFFFFF H428 -1 0 1 <> <> <> <> <>
429 42 -4.243174 13.171144 10.538566 27 Y I 21 "TYR " " HH " 1 0 FFFFFF H429 -1 0 1 <> <> <> <> <>
430 43 0.270627 12.228548 3.328180 28 C I 21 "CYS " " H " 1 0 FFFFFF H430 -1 0 1 <> <> <> <> <>
431 41 1.621007 13.844733 1.380473 28 C I 21 "CYS " " HA " 1 0 FFFFFF H431 -1 0 1 <> <> <> <> <>
432 41 1.201022 11.854138 -0.104591 28 C I 21 "CYS " " HB3" 1 0 FFFFFF H432 -1 0 1 <> <> <> <> <>
433 41 0.140554 11.194400 1.068711 28 C I 21 "CYS " " HB2" 1 0 FFFFFF H433 -1 0 1 <> <> <> <> <>
434 43 0.962201 14.380274 -0.764807 29 G I 21 "GLY " " H " 1 0 FFFFFF H434 -1 0 1 <> <> <> <> <>
435 41 -1.469843 15.896075 -0.616524 29 G I 21 "GLY " " HA3" 1 0 FFFFFF H435 -1 0 1 <> <> <> <> <>
436 41 -1.768965 14.353186 -1.568756 29 G I 21 "GLY " " HA2" 1 0 FFFFFF H436 -1 0 1 <> <> <> <> <>
:::
}
m_bond[441] {
# First column is bond index #
i_m_from
i_m_to
i_m_order
:::
1 1 2 1
2 1 223 1
3 1 224 1
4 1 225 1
5 2 3 1
6 2 5 1
7 2 226 1
8 3 4 2
9 3 12 1
10 5 6 1
11 5 227 1
12 5 228 1
13 6 7 1
14 6 229 1
15 6 230 1
16 7 8 1
17 7 231 1
18 7 232 1
19 8 9 1
20 8 233 1
21 9 10 1
22 9 11 2
23 10 234 1
24 10 235 1
25 11 236 1
26 11 237 1
27 12 13 1
28 12 238 1
29 13 14 1
30 13 16 1
31 13 239 1
32 14 15 2
33 14 19 1
34 16 17 1
35 16 18 1
36 16 240 1
37 17 241 1
38 17 242 1
39 17 243 1
40 18 244 1
41 18 245 1
42 18 246 1
43 19 20 1
44 19 247 1
45 20 21 1
46 20 23 1
47 20 248 1
48 21 22 2
49 21 25 1
50 23 24 1
51 23 249 1
52 23 250 1
53 24 155 1
54 25 26 1
55 25 31 1
56 26 27 1
57 26 29 1
58 26 251 1
59 27 28 2
60 27 32 1
61 29 30 1
62 29 252 1
63 29 253 1
64 30 31 1
65 30 254 1
66 30 255 1
67 31 256 1
68 31 257 1
69 32 33 1
70 32 258 1
71 33 34 1
72 33 36 1
73 33 259 1
74 34 35 2
75 34 43 1
76 36 37 1
77 36 260 1
78 36 261 1
79 37 38 1
80 37 262 1
81 37 263 1
82 38 39 1
83 38 264 1
84 38 265 1
85 39 40 1
86 39 266 1
87 40 41 1
88 40 42 2
89 41 267 1
90 41 268 1
91 42 269 1
92 42 270 1
93 43 44 1
94 43 271 1
95 44 45 1
96 44 47 1
97 44 272 1
98 45 46 2
99 45 51 1
100 47 48 1
101 47 49 1
102 47 273 1
103 48 50 1
104 48 274 1
105 48 275 1
106 49 276 1
107 49 277 1
108 49 278 1
109 50 279 1
110 50 280 1
111 50 281 1
112 51 52 1
113 51 282 1
114 52 53 1
115 52 55 1
116 52 283 1
117 53 54 2
118 53 59 1
119 55 56 1
120 55 284 1
121 55 285 1
122 56 57 1
123 56 58 1
124 56 286 1
125 57 287 1
126 57 288 1
127 57 289 1
128 58 290 1
129 58 291 1
130 58 292 1
131 59 60 1
132 59 293 1
133 60 61 1
134 60 63 1
135 60 294 1
136 61 62 2
137 61 67 1
138 63 64 1
139 63 295 1
140 63 296 1
141 64 65 1
142 64 297 1
143 64 298 1
144 65 66 1
145 66 299 1
146 66 300 1
147 66 301 1
148 67 68 1
149 67 302 1
150 68 69 1
151 68 71 1
152 68 303 1
153 69 70 2
154 69 76 1
155 71 72 1
156 71 304 1
157 71 305 1
158 72 73 1
159 72 306 1
160 72 307 1
161 73 74 2
162 73 75 1
163 76 77 1
164 76 308 1
165 77 78 1
166 77 80 1
167 77 309 1
168 78 79 2
169 78 82 1
170 80 81 1
171 80 310 1
172 80 311 1
173 81 168 1
174 82 83 1
175 82 312 1
176 83 84 1
177 83 86 1
178 83 313 1
179 84 85 2
180 84 91 1
181 86 87 1
182 86 314 1
183 86 315 1
184 87 88 1
185 87 316 1
186 87 317 1
187 88 89 1
188 88 318 1
189 88 319 1
190 89 90 1
191 89 320 1
192 89 321 1
193 90 322 1
194 90 323 1
195 90 324 1
196 91 92 1
197 91 325 1
198 92 93 1
199 92 95 1
200 92 326 1
201 93 94 2
202 93 100 1
203 95 96 1
204 95 327 1
205 95 328 1
206 96 97 1
207 96 329 1
208 96 330 1
209 97 98 1
210 97 331 1
211 97 332 1
212 98 99 1
213 98 333 1
214 98 334 1
215 99 335 1
216 99 336 1
217 99 337 1
218 100 101 1
219 100 338 1
220 101 102 1
221 101 104 1
222 101 339 1
223 102 103 2
224 102 108 1
225 104 105 1
226 104 340 1
227 104 341 1
228 105 106 2
229 105 107 1
230 108 109 1
231 108 342 1
232 109 110 1
233 109 112 1
234 109 343 1
235 110 111 2
236 110 114 1
237 112 113 1
238 112 344 1
239 112 345 1
240 113 346 1
241 114 115 1
242 114 347 1
243 115 116 1
244 115 118 1
245 115 348 1
246 116 117 2
247 116 122 1
248 118 119 1
249 118 349 1
250 118 350 1
251 119 120 2
252 119 121 1
253 122 123 1
254 122 351 1
255 123 124 1
256 123 126 1
257 123 352 1
258 124 125 2
259 124 128 1
260 126 127 1
261 126 353 1
262 126 354 1
263 127 217 1
264 128 129 1
265 128 355 1
266 129 130 1
267 129 132 1
268 129 356 1
269 130 131 2
270 130 136 1
271 132 133 1
272 132 357 1
273 132 358 1
274 133 134 1
275 133 135 1
276 133 359 1
277 134 360 1
278 134 361 1
279 134 362 1
280 135 363 1
281 135 364 1
282 135 365 1
283 136 137 1
284 136 366 1
285 137 138 1
286 137 140 1
287 137 367 1
288 138 139 2
289 138 141 1
290 140 368 1
291 140 369 1
292 140 370 1
293 141 142 1
294 141 371 1
295 142 143 1
296 142 145 1
297 142 372 1
298 143 144 2
299 143 150 1
300 145 146 1
301 145 373 1
302 145 374 1
303 146 147 1
304 146 375 1
305 146 376 1
306 147 148 2
307 147 149 1
308 150 151 1
309 150 377 1
310 151 152 1
311 151 154 1
312 151 378 1
313 152 153 2
314 152 156 1
315 154 155 1
316 154 379 1
317 154 380 1
318 156 157 1
319 156 381 1
320 157 158 1
321 157 160 1
322 157 382 1
323 158 159 2
324 158 163 1
325 160 161 1
326 160 162 1
327 160 383 1
328 161 384 1
329 161 385 1
330 161 386 1
331 162 387 1
332 162 388 1
333 162 389 1
334 163 164 1
335 163 390 1
336 164 165 1
337 164 167 1
338 164 391 1
339 165 166 2
340 165 169 1
341 167 168 1
342 167 392 1
343 167 393 1
344 169 170 1
345 169 394 1
346 170 171 1
347 170 173 1
348 170 395 1
349 171 172 2
350 171 177 1
351 173 174 1
352 173 396 1
353 173 397 1
354 174 175 1
355 174 176 1
356 174 398 1
357 175 399 1
358 175 400 1
359 175 401 1
360 176 402 1
361 176 403 1
362 176 404 1
363 177 178 1
364 177 405 1
365 178 179 1
366 178 181 1
367 178 406 1
368 179 180 2
369 179 186 1
370 181 182 1
371 181 407 1
372 181 408 1
373 182 183 1
374 182 409 1
375 182 410 1
376 183 184 2
377 183 185 1
378 186 187 1
379 186 411 1
380 187 188 1
381 187 190 1
382 187 412 1
383 188 189 2
384 188 196 1
385 190 191 1
386 190 413 1
387 190 414 1
388 191 192 1
389 191 193 2
390 192 194 1
391 192 415 1
392 193 195 1
393 193 416 1
394 194 195 2
395 194 417 1
396 196 197 1
397 196 418 1
398 197 198 1
399 197 419 1
400 197 420 1
401 198 199 2
402 198 200 1
403 200 201 1
404 200 421 1
405 201 202 1
406 201 204 1
407 201 422 1
408 202 203 2
409 202 212 1
410 204 205 1
411 204 423 1
412 204 424 1
413 205 206 2
414 205 207 1
415 206 208 1
416 206 425 1
417 207 209 2
418 207 426 1
419 208 210 2
420 208 427 1
421 209 210 1
422 209 428 1
423 210 211 1
424 211 429 1
425 212 213 1
426 212 430 1
427 213 214 1
428 213 216 1
429 213 431 1
430 214 215 2
431 214 218 1
432 216 217 1
433 216 432 1
434 216 433 1
435 218 219 1
436 218 434 1
437 219 220 1
438 219 435 1
439 219 436 1
440 220 221 2
441 220 222 1
:::
}
m_PDB_SEQRES[2] {
s_pdb_chain_id
s_pdb_SEQRES
:::
1 E "ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SER ALA ALA SER LEU ASN SER ARG VAL ALA SER ILE SER LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SER ASN "
2 I "ARG VAL CYS PRO ARG ILE LEU MET GLU CYS LYS LYS ASP SER ASP CYS LEU ALA GLU CYS VAL CYS LEU GLU HIS GLY TYR CYS GLY "
:::
}
}