cobot-io-0.1.4.3: test/PDB/BondsRestoring/4dn4_ag_b.mae
{
s_m_m2io_version
:::
2.0.0
}
f_m_ct {
s_m_title
s_pdb_PDB_format_version
s_m_source_file
i_m_source_file_index
i_m_ct_format
:::
""
3.0
/data/user/asadovnikov/git/abase/data/4dn4_H+L|M/prepared_schrod/4dn4_ag_b.pdb
1
2
m_atom[1003] {
# 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
i_m_secondary_structure
r_m_pdb_occupancy
r_m_pdb_tfactor
i_m_pdb_convert_problem
i_pdb_PDB_serial
i_pdb_seqres_index
:::
1 26 -54.962000 66.935000 -5.075000 9 V M 100 "VAL " " N " 7 0 0 1 56.66 5 1 9
2 3 -55.777000 66.490000 -6.246000 9 V M 100 "VAL " " CA " 6 0 0 1 56.18 5 2 9
3 2 -57.265000 66.639000 -5.931000 9 V M 100 "VAL " " C " 6 0 0 1 54.54 5 3 9
4 15 -57.743000 66.164000 -4.899000 9 V M 100 "VAL " " O " 8 0 0 1 54.46 5 4 9
5 3 -55.417000 65.039000 -6.679000 9 V M 100 "VAL " " CB " 6 0 0 1 57.1 5 5 9
6 3 -56.482000 64.442000 -7.606000 9 V M 100 "VAL " " CG1" 6 0 0 1 57.79 5 6 9
7 3 -54.040000 65.006000 -7.344000 9 V M 100 "VAL " " CG2" 6 0 0 1 59.44 5 7 9
8 43 -53.980000 66.834000 -5.290000 9 V M 100 "VAL " " H1 " 1 0 0 1 56.66 5 8 9
9 43 -55.164000 67.904000 -4.872000 9 V M 100 "VAL " " H2 " 1 0 0 1 56.66 5 9 9
10 41 -55.547000 67.152000 -7.081000 9 V M 100 "VAL " " HA " 1 0 0 1 56.18 5 10 9
11 41 -55.371000 64.423000 -5.781000 9 V M 100 "VAL " " HB " 1 0 0 1 57.1 5 11 9
12 41 -56.194000 63.429000 -7.886000 9 V M 100 "VAL " "HG11" 1 0 0 1 57.79 5 12 9
13 41 -57.441000 64.417000 -7.089000 9 V M 100 "VAL " "HG12" 1 0 0 1 57.79 5 13 9
14 41 -56.569000 65.055000 -8.503000 9 V M 100 "VAL " "HG13" 1 0 0 1 57.79 5 14 9
15 41 -53.804000 63.984000 -7.641000 9 V M 100 "VAL " "HG21" 1 0 0 1 59.44 5 15 9
16 41 -54.046000 65.647000 -8.225000 9 V M 100 "VAL " "HG22" 1 0 0 1 59.44 5 16 9
17 41 -53.288000 65.363000 -6.641000 9 V M 100 "VAL " "HG23" 1 0 0 1 59.44 5 17 9
18 25 -57.988000 67.301000 -6.831000 10 T M 2 "THR " " N " 7 0 0 1 53.12 <> 18 10
19 3 -59.380000 67.674000 -6.587000 10 T M 2 "THR " " CA " 6 0 0 1 51.54 <> 19 10
20 2 -60.370000 66.553000 -6.904000 10 T M 2 "THR " " C " 6 0 0 1 50.45 <> 20 10
21 15 -60.808000 65.840000 -6.005000 10 T M 2 "THR " " O " 8 0 0 1 49.69 <> 21 10
22 3 -59.754000 68.981000 -7.325000 10 T M 2 "THR " " CB " 6 0 0 1 50.33 <> 22 10
23 16 -58.859000 70.021000 -6.917000 10 T M 2 "THR " " OG1" 8 0 0 1 53.9 <> 23 10
24 3 -61.184000 69.408000 -6.998000 10 T M 2 "THR " " CG2" 6 0 0 1 57.55 <> 24 10
25 43 -57.577000 67.562000 -7.716000 10 T M 2 "THR " " H " 1 0 0 1 53.12 <> 25 10
26 41 -59.468000 67.879000 -5.520000 10 T M 2 "THR " " HA " 1 0 0 1 51.54 <> 26 10
27 41 -59.661000 68.827000 -8.400000 10 T M 2 "THR " " HB " 1 0 0 1 50.33 <> 27 10
28 42 -59.086000 70.836000 -7.372000 10 T M 2 "THR " " HG1" 1 0 0 1 53.9 <> 28 10
29 41 -61.419000 70.329000 -7.531000 10 T M 2 "THR " "HG21" 1 0 0 1 57.55 <> 29 10
30 41 -61.877000 68.624000 -7.305000 10 T M 2 "THR " "HG22" 1 0 0 1 57.55 <> 30 10
31 41 -61.277000 69.575000 -5.925000 10 T M 2 "THR " "HG23" 1 0 0 1 57.55 <> 31 10
32 25 -60.714000 66.407000 -8.180000 11 C M 2 "CYS " " N " 7 0 0 1 49.65 <> 32 11
33 3 -61.690000 65.422000 -8.620000 11 C M 2 "CYS " " CA " 6 0 0 1 47.61 <> 33 11
34 2 -61.025000 64.386000 -9.516000 11 C M 2 "CYS " " C " 6 0 0 1 46.85 <> 34 11
35 15 -59.889000 64.579000 -9.954000 11 C M 2 "CYS " " O " 8 0 0 1 46.37 <> 35 11
36 3 -62.837000 66.119000 -9.356000 11 C M 2 "CYS " " CB " 6 0 0 1 47.15 <> 36 11
37 49 -64.111000 66.806000 -8.267000 11 C M 2 "CYS " " SG " 16 0 0 1 51.9 <> 37 11
38 43 -60.293000 66.993000 -8.887000 11 C M 2 "CYS " " H " 1 0 0 1 49.65 <> 38 11
39 41 -62.095000 64.916000 -7.743000 11 C M 2 "CYS " " HA " 1 0 0 1 47.61 <> 39 11
40 41 -63.297000 65.419000 -10.053000 11 C M 2 "CYS " " HB3" 1 0 0 1 47.15 <> 40 11
41 41 -62.433000 66.912000 -9.985000 11 C M 2 "CYS " " HB2" 1 0 0 1 47.15 <> 41 11
42 25 -61.730000 63.292000 -9.787000 12 C M 2 "CYS " " N " 7 0 0 1 47.05 <> 42 12
43 3 -61.223000 62.258000 -10.687000 12 C M 2 "CYS " " CA " 6 0 0 1 48.08 <> 43 12
44 2 -62.050000 62.161000 -11.968000 12 C M 2 "CYS " " C " 6 0 0 1 48.75 <> 44 12
45 15 -63.282000 62.079000 -11.927000 12 C M 2 "CYS " " O " 8 0 0 1 50.69 <> 45 12
46 3 -61.153000 60.904000 -9.981000 12 C M 2 "CYS " " CB " 6 0 0 1 47.99 <> 46 12
47 49 -59.984000 60.849000 -8.597000 12 C M 2 "CYS " " SG " 16 0 0 1 56.11 <> 47 12
48 43 -62.639000 63.160000 -9.367000 12 C M 2 "CYS " " H " 1 0 0 1 47.05 <> 48 12
49 41 -60.208000 62.536000 -10.970000 12 C M 2 "CYS " " HA " 1 0 0 1 48.08 <> 49 12
50 41 -60.892000 60.132000 -10.705000 12 C M 2 "CYS " " HB3" 1 0 0 1 47.99 <> 50 12
51 41 -62.146000 60.630000 -9.626000 12 C M 2 "CYS " " HB2" 1 0 0 1 47.99 <> 51 12
52 25 -61.358000 62.170000 -13.103000 13 Y M 2 "TYR " " N " 7 0 0 1 48.2 <> 52 13
53 3 -62.008000 62.162000 -14.409000 13 Y M 2 "TYR " " CA " 6 0 0 1 47.8 <> 53 13
54 2 -61.679000 60.885000 -15.180000 13 Y M 2 "TYR " " C " 6 0 0 1 47.74 <> 54 13
55 15 -62.518000 60.368000 -15.919000 13 Y M 2 "TYR " " O " 8 0 0 1 48.43 <> 55 13
56 3 -61.619000 63.415000 -15.194000 13 Y M 2 "TYR " " CB " 6 0 0 1 47.91 <> 56 13
57 2 -61.683000 64.678000 -14.358000 13 Y M 2 "TYR " " CG " 6 0 0 1 49.02 <> 57 13
58 2 -60.517000 65.310000 -13.922000 13 Y M 2 "TYR " " CD1" 6 0 0 1 76.76 <> 58 13
59 2 -62.911000 65.241000 -14.003000 13 Y M 2 "TYR " " CD2" 6 0 0 1 56.38 <> 59 13
60 2 -60.570000 66.471000 -13.152000 13 Y M 2 "TYR " " CE1" 6 0 0 1 28.47 <> 60 13
61 2 -62.976000 66.402000 -13.233000 13 Y M 2 "TYR " " CE2" 6 0 0 1 42 <> 61 13
62 2 -61.802000 67.010000 -12.813000 13 Y M 2 "TYR " " CZ " 6 0 0 1 90.24 <> 62 13
63 16 -61.860000 68.156000 -12.054000 13 Y M 2 "TYR " " OH " 8 0 0 1 56.76 <> 63 13
64 43 -60.348000 62.183000 -13.079000 13 Y M 2 "TYR " " H " 1 0 0 1 48.2 <> 64 13
65 41 -63.086000 62.188000 -14.248000 13 Y M 2 "TYR " " HA " 1 0 0 1 47.8 <> 65 13
66 41 -62.275000 63.519000 -16.058000 13 Y M 2 "TYR " " HB3" 1 0 0 1 47.91 <> 66 13
67 41 -60.611000 63.295000 -15.592000 13 Y M 2 "TYR " " HB2" 1 0 0 1 47.91 <> 67 13
68 41 -59.552000 64.900000 -14.180000 13 Y M 2 "TYR " " HD1" 1 0 0 1 76.76 <> 68 13
69 41 -63.831000 64.777000 -14.325000 13 Y M 2 "TYR " " HD2" 1 0 0 1 56.38 <> 69 13
70 41 -59.656000 66.944000 -12.824000 13 Y M 2 "TYR " " HE1" 1 0 0 1 28.47 <> 70 13
71 41 -63.935000 66.821000 -12.968000 13 Y M 2 "TYR " " HE2" 1 0 0 1 42 <> 71 13
72 42 -62.749000 68.516000 -12.085000 13 Y M 2 "TYR " " HH " 1 0 0 1 56.76 <> 72 13
73 25 -60.458000 60.389000 -15.001000 14 N M 2 "ASN " " N " 7 0 0 1 47.51 <> 73 14
74 3 -60.060000 59.074000 -15.493000 14 N M 2 "ASN " " CA " 6 0 0 1 48.02 <> 74 14
75 2 -59.475000 58.235000 -14.371000 14 N M 2 "ASN " " C " 6 0 0 1 48.03 <> 75 14
76 15 -58.746000 58.749000 -13.522000 14 N M 2 "ASN " " O " 8 0 0 1 48.78 <> 76 14
77 3 -59.032000 59.193000 -16.618000 14 N M 2 "ASN " " CB " 6 0 0 1 48.48 <> 77 14
78 2 -59.637000 59.693000 -17.913000 14 N M 2 "ASN " " CG " 6 0 0 1 55.21 <> 78 14
79 15 -59.766000 58.799000 -18.894000 14 N M 2 "ASN " " OD1" 8 0 0 1 49.65 <> 79 14
80 25 -59.985000 60.867000 -18.035000 14 N M 2 "ASN " " ND2" 7 0 0 1 39.88 <> 80 14
81 43 -59.761000 60.928000 -14.507000 14 N M 2 "ASN " " H " 1 0 0 1 47.51 <> 81 14
82 41 -60.943000 58.567000 -15.882000 14 N M 2 "ASN " " HA " 1 0 0 1 48.02 <> 82 14
83 41 -58.566000 58.222000 -16.787000 14 N M 2 "ASN " " HB3" 1 0 0 1 48.48 <> 83 14
84 41 -58.232000 59.866000 -16.308000 14 N M 2 "ASN " " HB2" 1 0 0 1 48.48 <> 84 14
85 43 -60.387000 61.187000 -18.905000 14 N M 2 "ASN " "HD22" 1 0 0 1 39.88 <> 85 14
86 43 -59.869000 61.511000 -17.266000 14 N M 2 "ASN " "HD21" 1 0 0 1 39.88 <> 86 14
87 25 -59.795000 56.945000 -14.370000 15 F M 2 "PHE " " N " 7 0 0 1 48.3 <> 87 15
88 3 -59.224000 56.021000 -13.396000 15 F M 2 "PHE " " CA " 6 0 0 1 48.9 <> 88 15
89 2 -57.920000 55.427000 -13.905000 15 F M 2 "PHE " " C " 6 0 0 1 49.4 <> 89 15
90 15 -57.719000 55.300000 -15.113000 15 F M 2 "PHE " " O " 8 0 0 1 50.62 <> 90 15
91 3 -60.209000 54.896000 -13.058000 15 F M 2 "PHE " " CB " 6 0 0 1 47.85 <> 91 15
92 2 -61.429000 55.356000 -12.313000 15 F M 2 "PHE " " CG " 6 0 0 1 51.12 <> 92 15
93 2 -62.700000 54.985000 -12.741000 15 F M 2 "PHE " " CD1" 6 0 0 1 114.2 <> 93 15
94 2 -61.312000 56.160000 -11.182000 15 F M 2 "PHE " " CD2" 6 0 0 1 92.34 <> 94 15
95 2 -63.837000 55.408000 -12.054000 15 F M 2 "PHE " " CE1" 6 0 0 1 113.72 <> 95 15
96 2 -62.441000 56.587000 -10.492000 15 F M 2 "PHE " " CE2" 6 0 0 1 68.14 <> 96 15
97 2 -63.705000 56.211000 -10.927000 15 F M 2 "PHE " " CZ " 6 0 0 1 81.63 <> 97 15
98 43 -60.446000 56.586000 -15.053000 15 F M 2 "PHE " " H " 1 0 0 1 48.3 <> 98 15
99 41 -59.013000 56.576000 -12.482000 15 F M 2 "PHE " " HA " 1 0 0 1 48.9 <> 99 15
100 41 -59.697000 54.130000 -12.475000 15 F M 2 "PHE " " HB3" 1 0 0 1 47.85 <> 100 15
101 41 -60.514000 54.395000 -13.977000 15 F M 2 "PHE " " HB2" 1 0 0 1 47.85 <> 101 15
102 41 -62.815000 54.362000 -13.616000 15 F M 2 "PHE " " HD1" 1 0 0 1 114.2 <> 102 15
103 41 -60.336000 56.459000 -10.831000 15 F M 2 "PHE " " HD2" 1 0 0 1 92.34 <> 103 15
104 41 -64.817000 55.112000 -12.398000 15 F M 2 "PHE " " HE1" 1 0 0 1 113.72 <> 104 15
105 41 -62.335000 57.211000 -9.617000 15 F M 2 "PHE " " HE2" 1 0 0 1 68.14 <> 105 15
106 41 -64.584000 56.540000 -10.393000 15 F M 2 "PHE " " HZ " 1 0 0 1 81.63 <> 106 15
107 25 -57.038000 55.066000 -12.977000 16 T M 2 "THR " " N " 7 0 0 1 50.01 <> 107 16
108 3 -55.871000 54.259000 -13.303000 16 T M 2 "THR " " CA " 6 0 0 1 51.52 <> 108 16
109 2 -56.365000 52.896000 -13.774000 16 T M 2 "THR " " C " 6 0 0 1 52.54 <> 109 16
110 15 -57.301000 52.335000 -13.199000 16 T M 2 "THR " " O " 8 0 0 1 53.22 <> 110 16
111 3 -54.913000 54.094000 -12.091000 16 T M 2 "THR " " CB " 6 0 0 1 51.63 <> 111 16
112 16 -53.673000 53.518000 -12.520000 16 T M 2 "THR " " OG1" 8 0 0 1 52.23 <> 112 16
113 3 -55.524000 53.206000 -10.999000 16 T M 2 "THR " " CG2" 6 0 0 1 54.97 <> 113 16
114 43 -57.169000 55.352000 -12.017000 16 T M 2 "THR " " H " 1 0 0 1 50.01 <> 114 16
115 41 -55.328000 54.738000 -14.118000 16 T M 2 "THR " " HA " 1 0 0 1 51.52 <> 115 16
116 41 -54.713000 55.079000 -11.668000 16 T M 2 "THR " " HB " 1 0 0 1 51.63 <> 116 16
117 42 -53.044000 54.217000 -12.711000 16 T M 2 "THR " " HG1" 1 0 0 1 52.23 <> 117 16
118 41 -54.823000 53.116000 -10.169000 16 T M 2 "THR " "HG21" 1 0 0 1 54.97 <> 118 16
119 41 -56.452000 53.654000 -10.643000 16 T M 2 "THR " "HG22" 1 0 0 1 54.97 <> 119 16
120 41 -55.732000 52.217000 -11.408000 16 T M 2 "THR " "HG23" 1 0 0 1 54.97 <> 120 16
121 25 -55.741000 52.366000 -14.818000 17 N M 2 "ASN " " N " 7 0 0 1 53.89 <> 121 17
122 3 -56.112000 51.047000 -15.323000 17 N M 2 "ASN " " CA " 6 0 0 1 54.67 <> 122 17
123 2 -55.037000 50.001000 -15.048000 17 N M 2 "ASN " " C " 6 0 0 1 53.5 <> 123 17
124 15 -55.024000 48.933000 -15.666000 17 N M 2 "ASN " " O " 8 0 0 1 55.5 <> 124 17
125 3 -56.463000 51.111000 -16.817000 17 N M 2 "ASN " " CB " 6 0 0 1 55.28 <> 125 17
126 2 -57.854000 51.682000 -17.070000 17 N M 2 "ASN " " CG " 6 0 0 1 60.47 <> 126 17
127 15 -58.737000 51.614000 -16.211000 17 N M 2 "ASN " " OD1" 8 0 0 1 84.27 <> 127 17
128 25 -58.052000 52.250000 -18.258000 17 N M 2 "ASN " " ND2" 7 0 0 1 50.62 <> 128 17
129 43 -54.998000 52.876000 -15.275000 17 N M 2 "ASN " " H " 1 0 0 1 53.89 <> 129 17
130 41 -57.011000 50.736000 -14.791000 17 N M 2 "ASN " " HA " 1 0 0 1 54.67 <> 130 17
131 41 -56.398000 50.112000 -17.248000 17 N M 2 "ASN " " HB3" 1 0 0 1 55.28 <> 131 17
132 41 -55.722000 51.718000 -17.337000 17 N M 2 "ASN " " HB2" 1 0 0 1 55.28 <> 132 17
133 43 -58.953000 52.646000 -18.484000 17 N M 2 "ASN " "HD22" 1 0 0 1 50.62 <> 133 17
134 43 -57.301000 52.285000 -18.933000 17 N M 2 "ASN " "HD21" 1 0 0 1 50.62 <> 134 17
135 25 -54.141000 50.318000 -14.117000 18 R M 2 "ARG " " N " 7 0 0 1 50.52 <> 135 18
136 3 -53.028000 49.440000 -13.786000 18 R M 2 "ARG " " CA " 6 0 0 1 48.56 <> 136 18
137 2 -52.910000 49.254000 -12.279000 18 R M 2 "ARG " " C " 6 0 0 1 47.09 <> 137 18
138 15 -52.719000 50.221000 -11.538000 18 R M 2 "ARG " " O " 8 0 0 1 46.4 <> 138 18
139 3 -51.726000 49.999000 -14.367000 18 R M 2 "ARG " " CB " 6 0 0 1 49.11 <> 139 18
140 3 -50.542000 49.057000 -14.274000 18 R M 2 "ARG " " CG " 6 0 0 1 47.33 <> 140 18
141 3 -49.301000 49.688000 -14.872000 18 R M 2 "ARG " " CD " 6 0 0 1 35.8 <> 141 18
142 25 -48.103000 48.922000 -14.537000 18 R M 2 "ARG " " NE " 7 0 0 1 50.73 <> 142 18
143 2 -46.855000 49.311000 -14.788000 18 R M 2 "ARG " " CZ " 6 0 0 1 16.96 <> 143 18
144 25 -46.611000 50.471000 -15.385000 18 R M 2 "ARG " " NH1" 7 0 0 1 36.06 <> 144 18
145 31 -45.845000 48.530000 -14.436000 18 R M 2 "ARG " " NH2" 7 1 0 1 31.86 <> 145 18
146 43 -54.221000 51.191000 -13.615000 18 R M 2 "ARG " " H " 1 0 0 1 50.52 <> 146 18
147 41 -53.214000 48.466000 -14.238000 18 R M 2 "ARG " " HA " 1 0 0 1 48.56 <> 147 18
148 41 -51.481000 50.937000 -13.868000 18 R M 2 "ARG " " HB3" 1 0 0 1 49.11 <> 148 18
149 41 -51.885000 50.277000 -15.409000 18 R M 2 "ARG " " HB2" 1 0 0 1 49.11 <> 149 18
150 41 -50.771000 48.133000 -14.805000 18 R M 2 "ARG " " HG3" 1 0 0 1 47.33 <> 150 18
151 41 -50.356000 48.810000 -13.229000 18 R M 2 "ARG " " HG2" 1 0 0 1 47.33 <> 151 18
152 41 -49.196000 50.707000 -14.499000 18 R M 2 "ARG " " HD3" 1 0 0 1 35.8 <> 152 18
153 41 -49.407000 49.741000 -15.956000 18 R M 2 "ARG " " HD2" 1 0 0 1 35.8 <> 153 18
154 43 -48.274000 48.037000 -14.082000 18 R M 2 "ARG " " HE " 1 0 0 1 50.73 <> 154 18
155 43 -45.659000 50.754000 -15.569000 18 R M 2 "ARG " "HH12" 1 0 0 1 36.06 <> 155 18
156 43 -47.377000 51.071000 -15.655000 18 R M 2 "ARG " "HH11" 1 0 0 1 36.06 <> 156 18
157 44 -44.895000 48.818000 -14.623000 18 R M 2 "ARG " "HH22" 1 0 0 1 31.86 <> 157 18
158 44 -46.025000 47.647000 -13.981000 18 R M 2 "ARG " "HH21" 1 0 0 1 31.86 <> 158 18
159 25 -53.028000 48.003000 -11.840000 19 K M 2 "LYS " " N " 7 0 0 1 46.27 <> 159 19
160 3 -52.931000 47.650000 -10.426000 19 K M 2 "LYS " " CA " 6 0 0 1 45.96 <> 160 19
161 2 -51.572000 48.043000 -9.835000 19 K M 2 "LYS " " C " 6 0 0 1 45.28 <> 161 19
162 15 -50.522000 47.749000 -10.418000 19 K M 2 "LYS " " O " 8 0 0 1 45.45 <> 162 19
163 3 -53.184000 46.150000 -10.230000 19 K M 2 "LYS " " CB " 6 0 0 1 45.4 <> 163 19
164 3 -53.143000 45.696000 -8.774000 19 K M 2 "LYS " " CG " 6 0 0 1 52.78 <> 164 19
165 3 -52.911000 44.201000 -8.637000 19 K M 2 "LYS " " CD " 6 0 0 1 116.21 <> 165 19
166 3 -52.790000 43.809000 -7.171000 19 K M 2 "LYS " " CE " 6 0 0 1 85.01 <> 166 19
167 32 -52.192000 42.457000 -6.998000 19 K M 2 "LYS " " NZ " 7 1 0 1 46.96 <> 167 19
168 43 -53.192000 47.251000 -12.495000 19 K M 2 "LYS " " H " 1 0 0 1 46.27 <> 168 19
169 41 -53.705000 48.197000 -9.887000 19 K M 2 "LYS " " HA " 1 0 0 1 45.96 <> 169 19
170 41 -52.454000 45.582000 -10.806000 19 K M 2 "LYS " " HB3" 1 0 0 1 45.4 <> 170 19
171 41 -54.149000 45.887000 -10.664000 19 K M 2 "LYS " " HB2" 1 0 0 1 45.4 <> 171 19
172 41 -54.079000 45.964000 -8.285000 19 K M 2 "LYS " " HG3" 1 0 0 1 52.78 <> 172 19
173 41 -52.354000 46.235000 -8.249000 19 K M 2 "LYS " " HG2" 1 0 0 1 52.78 <> 173 19
174 41 -51.997000 43.926000 -9.163000 19 K M 2 "LYS " " HD3" 1 0 0 1 116.21 <> 174 19
175 41 -53.743000 43.662000 -9.089000 19 K M 2 "LYS " " HD2" 1 0 0 1 116.21 <> 175 19
176 41 -53.776000 43.831000 -6.707000 19 K M 2 "LYS " " HE3" 1 0 0 1 85.01 <> 176 19
177 41 -52.179000 44.545000 -6.648000 19 K M 2 "LYS " " HE2" 1 0 0 1 85.01 <> 177 19
178 44 -51.311000 42.413000 -7.490000 19 K M 2 "LYS " " HZ1" 1 0 0 1 46.96 <> 178 19
179 44 -52.038000 42.280000 -6.016000 19 K M 2 "LYS " " HZ2" 1 0 0 1 46.96 <> 179 19
180 44 -52.821000 41.760000 -7.371000 19 K M 2 "LYS " " HZ3" 1 0 0 1 46.96 <> 180 19
181 25 -51.615000 48.707000 -8.679000 20 I M 2 "ILE " " N " 7 0 0 1 43.69 <> 181 20
182 3 -50.422000 49.082000 -7.919000 20 I M 2 "ILE " " CA " 6 0 0 1 42.07 <> 182 20
183 2 -50.239000 48.120000 -6.742000 20 I M 2 "ILE " " C " 6 0 0 1 41.76 <> 183 20
184 15 -51.215000 47.695000 -6.120000 20 I M 2 "ILE " " O " 8 0 0 1 42.58 <> 184 20
185 3 -50.522000 50.532000 -7.372000 20 I M 2 "ILE " " CB " 6 0 0 1 41.16 <> 185 20
186 3 -51.039000 51.494000 -8.445000 20 I M 2 "ILE " " CG1" 6 0 0 1 42.71 <> 186 20
187 3 -49.170000 51.015000 -6.845000 20 I M 2 "ILE " " CG2" 6 0 0 1 45.76 <> 187 20
188 3 -51.580000 52.809000 -7.898000 20 I M 2 "ILE " " CD1" 6 0 0 1 20.08 <> 188 20
189 43 -52.505000 48.978000 -8.285000 20 I M 2 "ILE " " H " 1 0 0 1 43.69 <> 189 20
190 41 -49.552000 49.011000 -8.571000 20 I M 2 "ILE " " HA " 1 0 0 1 42.07 <> 190 20
191 41 -51.230000 50.535000 -6.543000 20 I M 2 "ILE " " HB " 1 0 0 1 41.16 <> 191 20
192 41 -51.815000 51.000000 -9.030000 20 I M 2 "ILE " "HG13" 1 0 0 1 42.71 <> 192 20
193 41 -50.242000 51.701000 -9.159000 20 I M 2 "ILE " "HG12" 1 0 0 1 42.71 <> 193 20
194 41 -49.269000 52.033000 -6.468000 20 I M 2 "ILE " "HG21" 1 0 0 1 45.76 <> 194 20
195 41 -48.839000 50.360000 -6.039000 20 I M 2 "ILE " "HG22" 1 0 0 1 45.76 <> 195 20
196 41 -48.437000 50.996000 -7.652000 20 I M 2 "ILE " "HG23" 1 0 0 1 45.76 <> 196 20
197 41 -51.925000 53.432000 -8.723000 20 I M 2 "ILE " "HD11" 1 0 0 1 20.08 <> 197 20
198 41 -52.412000 52.608000 -7.223000 20 I M 2 "ILE " "HD12" 1 0 0 1 20.08 <> 198 20
199 41 -50.791000 53.330000 -7.356000 20 I M 2 "ILE " "HD13" 1 0 0 1 20.08 <> 199 20
200 25 -48.987000 47.783000 -6.442000 21 S M 2 "SER " " N " 7 0 0 1 41.68 <> 200 21
201 3 -48.648000 47.024000 -5.241000 21 S M 2 "SER " " CA " 6 0 0 1 42.93 <> 201 21
202 2 -48.910000 47.860000 -3.988000 21 S M 2 "SER " " C " 6 0 0 1 44.27 <> 202 21
203 15 -48.605000 49.057000 -3.959000 21 S M 2 "SER " " O " 8 0 0 1 44.75 <> 203 21
204 3 -47.178000 46.614000 -5.273000 21 S M 2 "SER " " CB " 6 0 0 1 42.89 <> 204 21
205 16 -46.808000 45.972000 -4.065000 21 S M 2 "SER " " OG " 8 0 0 1 44.34 <> 205 21
206 43 -48.231000 48.053000 -7.055000 21 S M 2 "SER " " H " 1 0 0 1 41.68 <> 206 21
207 41 -49.265000 46.126000 -5.203000 21 S M 2 "SER " " HA " 1 0 0 1 42.93 <> 207 21
208 41 -46.558000 47.498000 -5.419000 21 S M 2 "SER " " HB3" 1 0 0 1 42.89 <> 208 21
209 41 -47.008000 45.937000 -6.110000 21 S M 2 "SER " " HB2" 1 0 0 1 42.89 <> 209 21
210 42 -47.064000 45.047000 -4.102000 21 S M 2 "SER " " HG " 1 0 0 1 44.34 <> 210 21
211 25 -49.472000 47.226000 -2.958000 22 V M 2 "VAL " " N " 7 0 0 1 44.55 <> 211 22
212 3 -49.753000 47.907000 -1.686000 22 V M 2 "VAL " " CA " 6 0 0 1 44.58 <> 212 22
213 2 -48.476000 48.449000 -1.036000 22 V M 2 "VAL " " C " 6 0 0 1 44.13 <> 213 22
214 15 -48.528000 49.405000 -0.260000 22 V M 2 "VAL " " O " 8 0 0 1 45.12 <> 214 22
215 3 -50.535000 47.011000 -0.675000 22 V M 2 "VAL " " CB " 6 0 0 1 45.77 <> 215 22
216 3 -51.961000 46.750000 -1.162000 22 V M 2 "VAL " " CG1" 6 0 0 1 43.42 <> 216 22
217 3 -49.795000 45.696000 -0.394000 22 V M 2 "VAL " " CG2" 6 0 0 1 47.05 <> 217 22
218 43 -49.717000 46.250000 -3.039000 22 V M 2 "VAL " " H " 1 0 0 1 44.55 <> 218 22
219 41 -50.387000 48.764000 -1.913000 22 V M 2 "VAL " " HA " 1 0 0 1 44.58 <> 219 22
220 41 -50.603000 47.558000 0.265000 22 V M 2 "VAL " " HB " 1 0 0 1 45.77 <> 220 22
221 41 -52.483000 46.123000 -0.439000 22 V M 2 "VAL " "HG11" 1 0 0 1 43.42 <> 221 22
222 41 -52.488000 47.698000 -1.269000 22 V M 2 "VAL " "HG12" 1 0 0 1 43.42 <> 222 22
223 41 -51.929000 46.242000 -2.126000 22 V M 2 "VAL " "HG13" 1 0 0 1 43.42 <> 223 22
224 41 -50.370000 45.099000 0.314000 22 V M 2 "VAL " "HG21" 1 0 0 1 47.05 <> 224 22
225 41 -49.675000 45.140000 -1.324000 22 V M 2 "VAL " "HG22" 1 0 0 1 47.05 <> 225 22
226 41 -48.814000 45.914000 0.028000 22 V M 2 "VAL " "HG23" 1 0 0 1 47.05 <> 226 22
227 25 -47.341000 47.829000 -1.362000 23 Q M 2 "GLN " " N " 7 0 0 1 42.45 <> 227 23
228 3 -46.025000 48.262000 -0.880000 23 Q M 2 "GLN " " CA " 6 0 0 1 40.34 <> 228 23
229 2 -45.670000 49.686000 -1.313000 23 Q M 2 "GLN " " C " 6 0 0 1 38.88 <> 229 23
230 15 -44.764000 50.305000 -0.748000 23 Q M 2 "GLN " " O " 8 0 0 1 37.85 <> 230 23
231 3 -44.937000 47.306000 -1.369000 23 Q M 2 "GLN " " CB " 6 0 0 1 40.25 <> 231 23
232 3 -45.015000 45.898000 -0.799000 23 Q M 2 "GLN " " CG " 6 0 0 1 37.88 <> 232 23
233 2 -43.829000 45.040000 -1.212000 23 Q M 2 "GLN " " CD " 6 0 0 1 121.52 <> 233 23
234 15 -44.088000 43.765000 -1.473000 23 Q M 2 "GLN " " OE1" 8 0 0 1 35.95 <> 234 23
235 25 -42.694000 45.518000 -1.295000 23 Q M 2 "GLN " " NE2" 7 0 0 1 25.18 <> 235 23
236 43 -47.363000 47.021000 -1.968000 23 Q M 2 "GLN " " H " 1 0 0 1 42.45 <> 236 23
237 41 -46.037000 48.232000 0.210000 23 Q M 2 "GLN " " HA " 1 0 0 1 40.34 <> 237 23
238 41 -43.958000 47.731000 -1.148000 23 Q M 2 "GLN " " HB3" 1 0 0 1 40.25 <> 238 23
239 41 -44.963000 47.256000 -2.458000 23 Q M 2 "GLN " " HB2" 1 0 0 1 40.25 <> 239 23
240 41 -45.939000 45.423000 -1.131000 23 Q M 2 "GLN " " HG3" 1 0 0 1 37.88 <> 240 23
241 41 -45.064000 45.950000 0.289000 23 Q M 2 "GLN " " HG2" 1 0 0 1 37.88 <> 241 23
242 43 -41.918000 44.933000 -1.571000 23 Q M 2 "GLN " "HE22" 1 0 0 1 25.18 <> 242 23
243 43 -42.541000 46.494000 -1.087000 23 Q M 2 "GLN " "HE21" 1 0 0 1 25.18 <> 243 23
244 25 -46.389000 50.194000 -2.314000 24 R M 2 "ARG " " N " 7 0 0 1 37.91 <> 244 24
245 3 -46.146000 51.528000 -2.869000 24 R M 2 "ARG " " CA " 6 0 0 1 36.6 <> 245 24
246 2 -47.215000 52.513000 -2.432000 24 R M 2 "ARG " " C " 6 0 0 1 34.81 <> 246 24
247 15 -47.205000 53.675000 -2.842000 24 R M 2 "ARG " " O " 8 0 0 1 33.42 <> 247 24
248 3 -46.111000 51.479000 -4.401000 24 R M 2 "ARG " " CB " 6 0 0 1 36.58 <> 248 24
249 3 -45.098000 50.520000 -4.991000 24 R M 2 "ARG " " CG " 6 0 0 1 37.05 <> 249 24
250 3 -43.673000 51.000000 -4.783000 24 R M 2 "ARG " " CD " 6 0 0 1 62.4 <> 250 24
251 25 -42.779000 50.412000 -5.776000 24 R M 2 "ARG " " NE " 7 0 0 1 68.26 <> 251 24
252 2 -42.168000 49.240000 -5.640000 24 R M 2 "ARG " " CZ " 6 0 0 1 27.54 <> 252 24
253 25 -42.343000 48.505000 -4.548000 24 R M 2 "ARG " " NH1" 7 0 0 1 62.7 <> 253 24
254 31 -41.377000 48.800000 -6.604000 24 R M 2 "ARG " " NH2" 7 1 0 1 41.81 <> 254 24
255 43 -47.138000 49.654000 -2.723000 24 R M 2 "ARG " " H " 1 0 0 1 37.91 <> 255 24
256 41 -45.180000 51.883000 -2.511000 24 R M 2 "ARG " " HA " 1 0 0 1 36.6 <> 256 24
257 41 -45.928000 52.481000 -4.790000 24 R M 2 "ARG " " HB3" 1 0 0 1 36.58 <> 257 24
258 41 -47.104000 51.231000 -4.776000 24 R M 2 "ARG " " HB2" 1 0 0 1 36.58 <> 258 24
259 41 -45.289000 50.402000 -6.058000 24 R M 2 "ARG " " HG3" 1 0 0 1 37.05 <> 259 24
260 41 -45.220000 49.538000 -4.535000 24 R M 2 "ARG " " HG2" 1 0 0 1 37.05 <> 260 24
261 41 -43.339000 50.722000 -3.784000 24 R M 2 "ARG " " HD3" 1 0 0 1 62.4 <> 261 24
262 41 -43.641000 52.087000 -4.864000 24 R M 2 "ARG " " HD2" 1 0 0 1 62.4 <> 262 24
263 43 -42.638000 50.961000 -6.612000 24 R M 2 "ARG " " HE " 1 0 0 1 68.26 <> 263 24
264 43 -41.873000 47.616000 -4.457000 24 R M 2 "ARG " "HH12" 1 0 0 1 62.7 <> 264 24
265 43 -42.946000 48.835000 -3.808000 24 R M 2 "ARG " "HH11" 1 0 0 1 62.7 <> 265 24
266 44 -40.910000 47.910000 -6.507000 24 R M 2 "ARG " "HH22" 1 0 0 1 41.81 <> 266 24
267 44 -41.240000 49.354000 -7.437000 24 R M 2 "ARG " "HH21" 1 0 0 1 41.81 <> 267 24
268 25 -48.136000 52.040000 -1.599000 25 L M 2 "LEU " " N " 7 0 2 1 34.56 <> 268 25
269 3 -49.257000 52.854000 -1.156000 25 L M 2 "LEU " " CA " 6 0 2 1 34.49 <> 269 25
270 2 -49.118000 53.226000 0.315000 25 L M 2 "LEU " " C " 6 0 2 1 34.89 <> 270 25
271 15 -48.941000 52.359000 1.176000 25 L M 2 "LEU " " O " 8 0 2 1 34.91 <> 271 25
272 3 -50.582000 52.134000 -1.427000 25 L M 2 "LEU " " CB " 6 0 2 1 34.2 <> 272 25
273 3 -50.846000 51.682000 -2.870000 25 L M 2 "LEU " " CG " 6 0 2 1 33.38 <> 273 25
274 3 -52.201000 50.986000 -2.985000 25 L M 2 "LEU " " CD1" 6 0 2 1 12.77 <> 274 25
275 3 -50.748000 52.846000 -3.859000 25 L M 2 "LEU " " CD2" 6 0 2 1 20.88 <> 275 25
276 43 -48.068000 51.092000 -1.257000 25 L M 2 "LEU " " H " 1 0 2 1 34.56 <> 276 25
277 41 -49.252000 53.776000 -1.737000 25 L M 2 "LEU " " HA " 1 0 2 1 34.49 <> 277 25
278 41 -51.407000 52.763000 -1.092000 25 L M 2 "LEU " " HB3" 1 0 2 1 34.2 <> 278 25
279 41 -50.666000 51.275000 -0.761000 25 L M 2 "LEU " " HB2" 1 0 2 1 34.2 <> 279 25
280 41 -50.077000 50.956000 -3.136000 25 L M 2 "LEU " " HG " 1 0 2 1 33.38 <> 280 25
281 41 -52.364000 50.675000 -4.017000 25 L M 2 "LEU " "HD11" 1 0 2 1 12.77 <> 281 25
282 41 -52.217000 50.110000 -2.336000 25 L M 2 "LEU " "HD12" 1 0 2 1 12.77 <> 282 25
283 41 -52.990000 51.675000 -2.684000 25 L M 2 "LEU " "HD13" 1 0 2 1 12.77 <> 283 25
284 41 -50.942000 52.483000 -4.868000 25 L M 2 "LEU " "HD21" 1 0 2 1 20.88 <> 284 25
285 41 -51.484000 53.607000 -3.600000 25 L M 2 "LEU " "HD22" 1 0 2 1 20.88 <> 285 25
286 41 -49.748000 53.278000 -3.814000 25 L M 2 "LEU " "HD23" 1 0 2 1 20.88 <> 286 25
287 25 -49.199000 54.525000 0.588000 26 A M 2 "ALA " " N " 7 0 2 1 35.22 <> 287 26
288 3 -49.071000 55.043000 1.944000 26 A M 2 "ALA " " CA " 6 0 2 1 35.41 <> 288 26
289 2 -50.427000 55.074000 2.641000 26 A M 2 "ALA " " C " 6 0 2 1 35.83 <> 289 26
290 15 -50.558000 54.589000 3.764000 26 A M 2 "ALA " " O " 8 0 2 1 35.83 <> 290 26
291 3 -48.435000 56.431000 1.930000 26 A M 2 "ALA " " CB " 6 0 2 1 34.77 <> 291 26
292 43 -49.354000 55.189000 -0.157000 26 A M 2 "ALA " " H " 1 0 2 1 35.22 <> 292 26
293 41 -48.416000 54.374000 2.503000 26 A M 2 "ALA " " HA " 1 0 2 1 35.41 <> 293 26
294 41 -48.348000 56.801000 2.951000 26 A M 2 "ALA " " HB1" 1 0 2 1 34.77 <> 294 26
295 41 -47.444000 56.373000 1.479000 26 A M 2 "ALA " " HB2" 1 0 2 1 34.77 <> 295 26
296 41 -49.058000 57.111000 1.349000 26 A M 2 "ALA " " HB3" 1 0 2 1 34.77 <> 296 26
297 25 -51.424000 55.644000 1.965000 27 S M 2 "SER " " N " 7 0 2 1 36.33 <> 297 27
298 3 -52.778000 55.793000 2.504000 27 S M 2 "SER " " CA " 6 0 2 1 37.05 <> 298 27
299 2 -53.784000 56.089000 1.388000 27 S M 2 "SER " " C " 6 0 2 1 37.68 <> 299 27
300 15 -53.399000 56.336000 0.244000 27 S M 2 "SER " " O " 8 0 2 1 37.88 <> 300 27
301 3 -52.815000 56.912000 3.549000 27 S M 2 "SER " " CB " 6 0 2 1 36.33 <> 301 27
302 16 -52.239000 58.099000 3.031000 27 S M 2 "SER " " OG " 8 0 2 1 36.26 <> 302 27
303 43 -51.264000 55.999000 1.033000 27 S M 2 "SER " " H " 1 0 2 1 36.33 <> 303 27
304 41 -53.063000 54.859000 2.988000 27 S M 2 "SER " " HA " 1 0 2 1 37.05 <> 304 27
305 41 -52.265000 56.599000 4.436000 27 S M 2 "SER " " HB3" 1 0 2 1 36.33 <> 305 27
306 41 -53.848000 57.106000 3.837000 27 S M 2 "SER " " HB2" 1 0 2 1 36.33 <> 306 27
307 42 -52.730000 58.382000 2.256000 27 S M 2 "SER " " HG " 1 0 2 1 36.26 <> 307 27
308 25 -55.070000 56.063000 1.727000 28 Y M 2 "TYR " " N " 7 0 2 1 37.57 <> 308 28
309 3 -56.128000 56.393000 0.775000 28 Y M 2 "TYR " " CA " 6 0 2 1 37.23 <> 309 28
310 2 -57.149000 57.348000 1.379000 28 Y M 2 "TYR " " C " 6 0 2 1 37.31 <> 310 28
311 15 -57.252000 57.479000 2.598000 28 Y M 2 "TYR " " O " 8 0 2 1 38.67 <> 311 28
312 3 -56.836000 55.126000 0.273000 28 Y M 2 "TYR " " CB " 6 0 2 1 37.71 <> 312 28
313 2 -57.778000 54.480000 1.278000 28 Y M 2 "TYR " " CG " 6 0 2 1 35.69 <> 313 28
314 2 -59.160000 54.660000 1.190000 28 Y M 2 "TYR " " CD1" 6 0 2 1 74.72 <> 314 28
315 2 -57.284000 53.689000 2.315000 28 Y M 2 "TYR " " CD2" 6 0 2 1 28.11 <> 315 28
316 2 -60.024000 54.066000 2.114000 28 Y M 2 "TYR " " CE1" 6 0 2 1 45.9 <> 316 28
317 2 -58.135000 53.095000 3.238000 28 Y M 2 "TYR " " CE2" 6 0 2 1 73.62 <> 317 28
318 2 -59.501000 53.286000 3.133000 28 Y M 2 "TYR " " CZ " 6 0 2 1 41.33 <> 318 28
319 16 -60.340000 52.694000 4.051000 28 Y M 2 "TYR " " OH " 8 0 2 1 62.48 <> 319 28
320 43 -55.339000 55.810000 2.667000 28 Y M 2 "TYR " " H " 1 0 2 1 37.57 <> 320 28
321 41 -55.670000 56.886000 -0.082000 28 Y M 2 "TYR " " HA " 1 0 2 1 37.23 <> 321 28
322 41 -56.090000 54.397000 -0.042000 28 Y M 2 "TYR " " HB3" 1 0 2 1 37.71 <> 322 28
323 41 -57.386000 55.357000 -0.639000 28 Y M 2 "TYR " " HB2" 1 0 2 1 37.71 <> 323 28
324 41 -59.576000 55.266000 0.399000 28 Y M 2 "TYR " " HD1" 1 0 2 1 74.72 <> 324 28
325 41 -56.220000 53.528000 2.412000 28 Y M 2 "TYR " " HD2" 1 0 2 1 28.11 <> 325 28
326 41 -61.090000 54.217000 2.031000 28 Y M 2 "TYR " " HE1" 1 0 2 1 45.9 <> 326 28
327 41 -57.729000 52.487000 4.033000 28 Y M 2 "TYR " " HE2" 1 0 2 1 73.62 <> 327 28
328 42 -59.820000 52.193000 4.684000 28 Y M 2 "TYR " " HH " 1 0 2 1 62.48 <> 328 28
329 25 -57.897000 58.009000 0.505000 29 R M 2 "ARG " " N " 7 0 2 1 36.82 <> 329 29
330 3 -59.035000 58.822000 0.895000 29 R M 2 "ARG " " CA " 6 0 2 1 36.4 <> 330 29
331 2 -60.123000 58.641000 -0.155000 29 R M 2 "ARG " " C " 6 0 2 1 38.38 <> 331 29
332 15 -59.835000 58.466000 -1.342000 29 R M 2 "ARG " " O " 8 0 2 1 39.15 <> 332 29
333 3 -58.643000 60.297000 1.050000 29 R M 2 "ARG " " CB " 6 0 2 1 35.54 <> 333 29
334 3 -58.202000 61.003000 -0.227000 29 R M 2 "ARG " " CG " 6 0 2 1 32.51 <> 334 29
335 3 -57.713000 62.411000 0.072000 29 R M 2 "ARG " " CD " 6 0 2 1 21.07 <> 335 29
336 25 -57.127000 63.060000 -1.101000 29 R M 2 "ARG " " NE " 7 0 2 1 29.43 <> 336 29
337 2 -57.791000 63.860000 -1.933000 29 R M 2 "ARG " " CZ " 6 0 2 1 36.89 <> 337 29
338 25 -57.167000 64.400000 -2.968000 29 R M 2 "ARG " " NH1" 7 0 2 1 32.83 <> 338 29
339 31 -59.077000 64.124000 -1.737000 29 R M 2 "ARG " " NH2" 7 1 2 1 16.77 <> 339 29
340 43 -57.684000 57.959000 -0.481000 29 R M 2 "ARG " " H " 1 0 2 1 36.82 <> 340 29
341 41 -59.411000 58.459000 1.852000 29 R M 2 "ARG " " HA " 1 0 2 1 36.4 <> 341 29
342 41 -57.856000 60.383000 1.799000 29 R M 2 "ARG " " HB3" 1 0 2 1 35.54 <> 342 29
343 41 -59.473000 60.845000 1.496000 29 R M 2 "ARG " " HB2" 1 0 2 1 35.54 <> 343 29
344 41 -59.039000 61.050000 -0.923000 29 R M 2 "ARG " " HG3" 1 0 2 1 32.51 <> 344 29
345 41 -57.401000 60.433000 -0.699000 29 R M 2 "ARG " " HG2" 1 0 2 1 32.51 <> 345 29
346 41 -56.975000 62.376000 0.873000 29 R M 2 "ARG " " HD3" 1 0 2 1 21.07 <> 346 29
347 41 -58.544000 63.012000 0.442000 29 R M 2 "ARG " " HD2" 1 0 2 1 21.07 <> 347 29
348 43 -56.149000 62.866000 -1.260000 29 R M 2 "ARG " " HE " 1 0 2 1 29.43 <> 348 29
349 43 -57.669000 65.007000 -3.600000 29 R M 2 "ARG " "HH12" 1 0 2 1 32.83 <> 349 29
350 43 -56.189000 64.205000 -3.126000 29 R M 2 "ARG " "HH11" 1 0 2 1 32.83 <> 350 29
351 44 -59.571000 64.732000 -2.375000 29 R M 2 "ARG " "HH22" 1 0 2 1 16.77 <> 351 29
352 44 -59.562000 63.717000 -0.950000 29 R M 2 "ARG " "HH21" 1 0 2 1 16.77 <> 352 29
353 25 -61.373000 58.683000 0.282000 30 R M 2 "ARG " " N " 7 0 2 1 39.38 <> 353 30
354 3 -62.487000 58.513000 -0.632000 30 R M 2 "ARG " " CA " 6 0 2 1 39.75 <> 354 30
355 2 -62.932000 59.865000 -1.162000 30 R M 2 "ARG " " C " 6 0 2 1 40.91 <> 355 30
356 15 -62.601000 60.909000 -0.593000 30 R M 2 "ARG " " O " 8 0 2 1 39.89 <> 356 30
357 3 -63.651000 57.799000 0.059000 30 R M 2 "ARG " " CB " 6 0 2 1 39.97 <> 357 30
358 3 -63.395000 56.336000 0.363000 30 R M 2 "ARG " " CG " 6 0 2 1 35.92 <> 358 30
359 3 -64.624000 55.695000 0.997000 30 R M 2 "ARG " " CD " 6 0 2 1 85.3 <> 359 30
360 25 -64.580000 54.234000 0.945000 30 R M 2 "ARG " " NE " 7 0 2 1 42.78 <> 360 30
361 2 -64.918000 53.501000 -0.116000 30 R M 2 "ARG " " CZ " 6 0 2 1 145.38 <> 361 30
362 25 -65.334000 54.079000 -1.240000 30 R M 2 "ARG " " NH1" 7 0 2 1 50.89 <> 362 30
363 31 -64.840000 52.180000 -0.053000 30 R M 2 "ARG " " NH2" 7 1 2 1 96.35 <> 363 30
364 43 -61.560000 58.835000 1.263000 30 R M 2 "ARG " " H " 1 0 2 1 39.38 <> 364 30
365 41 -62.156000 57.903000 -1.472000 30 R M 2 "ARG " " HA " 1 0 2 1 39.75 <> 365 30
366 41 -64.546000 57.889000 -0.556000 30 R M 2 "ARG " " HB3" 1 0 2 1 39.97 <> 366 30
367 41 -63.898000 58.322000 0.983000 30 R M 2 "ARG " " HB2" 1 0 2 1 39.97 <> 367 30
368 41 -62.548000 56.250000 1.044000 30 R M 2 "ARG " " HG3" 1 0 2 1 35.92 <> 368 30
369 41 -63.147000 55.811000 -0.560000 30 R M 2 "ARG " " HG2" 1 0 2 1 35.92 <> 369 30
370 41 -65.521000 56.049000 0.488000 30 R M 2 "ARG " " HD3" 1 0 2 1 85.3 <> 370 30
371 41 -64.707000 56.018000 2.035000 30 R M 2 "ARG " " HD2" 1 0 2 1 85.3 <> 371 30
372 43 -64.266000 53.782000 1.792000 30 R M 2 "ARG " " HE " 1 0 2 1 42.78 <> 372 30
373 43 -65.587000 53.511000 -2.036000 30 R M 2 "ARG " "HH12" 1 0 2 1 50.89 <> 373 30
374 43 -65.397000 55.085000 -1.297000 30 R M 2 "ARG " "HH11" 1 0 2 1 50.89 <> 374 30
375 44 -65.095000 51.620000 -0.854000 30 R M 2 "ARG " "HH22" 1 0 2 1 96.35 <> 375 30
376 44 -64.526000 51.733000 0.796000 30 R M 2 "ARG " "HH21" 1 0 2 1 96.35 <> 376 30
377 25 -63.684000 59.832000 -2.257000 31 I M 2 "ILE " " N " 7 0 2 1 43.02 <> 377 31
378 3 -64.356000 61.011000 -2.782000 31 I M 2 "ILE " " CA " 6 0 2 1 45.39 <> 378 31
379 2 -65.738000 60.594000 -3.284000 31 I M 2 "ILE " " C " 6 0 2 1 47.61 <> 379 31
380 15 -65.920000 59.458000 -3.733000 31 I M 2 "ILE " " O " 8 0 2 1 46.72 <> 380 31
381 3 -63.505000 61.740000 -3.858000 31 I M 2 "ILE " " CB " 6 0 2 1 45.45 <> 381 31
382 3 -63.817000 63.237000 -3.841000 31 I M 2 "ILE " " CG1" 6 0 2 1 46.27 <> 382 31
383 3 -63.689000 61.128000 -5.254000 31 I M 2 "ILE " " CG2" 6 0 2 1 46.06 <> 383 31
384 3 -62.814000 64.080000 -4.570000 31 I M 2 "ILE " " CD1" 6 0 2 1 163.18 <> 384 31
385 43 -63.807000 58.964000 -2.759000 31 I M 2 "ILE " " H " 1 0 2 1 43.02 <> 385 31
386 41 -64.502000 61.703000 -1.953000 31 I M 2 "ILE " " HA " 1 0 2 1 45.39 <> 386 31
387 41 -62.457000 61.620000 -3.583000 31 I M 2 "ILE " " HB " 1 0 2 1 45.45 <> 387 31
388 41 -63.894000 63.578000 -2.809000 31 I M 2 "ILE " "HG13" 1 0 2 1 46.27 <> 388 31
389 41 -64.807000 63.405000 -4.266000 31 I M 2 "ILE " "HG12" 1 0 2 1 46.27 <> 389 31
390 41 -63.075000 61.670000 -5.973000 31 I M 2 "ILE " "HG21" 1 0 2 1 46.06 <> 390 31
391 41 -63.386000 60.081000 -5.235000 31 I M 2 "ILE " "HG22" 1 0 2 1 46.06 <> 391 31
392 41 -64.737000 61.198000 -5.547000 31 I M 2 "ILE " "HG23" 1 0 2 1 46.06 <> 392 31
393 41 -63.108000 65.128000 -4.511000 31 I M 2 "ILE " "HD11" 1 0 2 1 163.18 <> 393 31
394 41 -61.832000 63.952000 -4.115000 31 I M 2 "ILE " "HD12" 1 0 2 1 163.18 <> 394 31
395 41 -62.772000 63.773000 -5.615000 31 I M 2 "ILE " "HD13" 1 0 2 1 163.18 <> 395 31
396 25 -66.707000 61.505000 -3.210000 32 T M 2 "THR " " N " 7 0 0 1 51.06 <> 396 32
397 3 -68.107000 61.138000 -3.469000 32 T M 2 "THR " " CA " 6 0 0 1 53.71 <> 397 32
398 2 -68.727000 61.752000 -4.723000 32 T M 2 "THR " " C " 6 0 0 1 56.06 <> 398 32
399 15 -68.222000 62.728000 -5.289000 32 T M 2 "THR " " O " 8 0 0 1 55.71 <> 399 32
400 3 -69.035000 61.422000 -2.256000 32 T M 2 "THR " " CB " 6 0 0 1 53.39 <> 400 32
401 16 -69.034000 62.825000 -1.965000 32 T M 2 "THR " " OG1" 8 0 0 1 55.31 <> 401 32
402 3 -68.591000 60.627000 -1.024000 32 T M 2 "THR " " CG2" 6 0 0 1 48.52 <> 402 32
403 43 -66.484000 62.461000 -2.974000 32 T M 2 "THR " " H " 1 0 0 1 51.06 <> 403 32
404 41 -68.119000 60.058000 -3.618000 32 T M 2 "THR " " HA " 1 0 0 1 53.71 <> 404 32
405 41 -70.050000 61.122000 -2.517000 32 T M 2 "THR " " HB " 1 0 0 1 53.39 <> 405 32
406 42 -68.141000 63.108000 -1.755000 32 T M 2 "THR " " HG1" 1 0 0 1 55.31 <> 406 32
407 41 -69.258000 60.845000 -0.190000 32 T M 2 "THR " "HG21" 1 0 0 1 48.52 <> 407 32
408 41 -68.626000 59.561000 -1.247000 32 T M 2 "THR " "HG22" 1 0 0 1 48.52 <> 408 32
409 41 -67.572000 60.909000 -0.757000 32 T M 2 "THR " "HG23" 1 0 0 1 48.52 <> 409 32
410 25 -69.838000 61.142000 -5.130000 33 S M 2 "SER " " N " 7 0 0 1 58.72 <> 410 33
411 3 -70.577000 61.486000 -6.337000 33 S M 2 "SER " " CA " 6 0 0 1 61.33 <> 411 33
412 2 -71.335000 62.819000 -6.242000 33 S M 2 "SER " " C " 6 0 0 1 63.26 <> 412 33
413 15 -72.233000 63.086000 -7.044000 33 S M 2 "SER " " O " 8 0 0 1 63.87 <> 413 33
414 3 -71.546000 60.344000 -6.663000 33 S M 2 "SER " " CB " 6 0 0 1 60.74 <> 414 33
415 16 -72.195000 60.552000 -7.901000 33 S M 2 "SER " " OG " 8 0 0 1 66.1 <> 415 33
416 43 -70.225000 60.382000 -4.588000 33 S M 2 "SER " " H " 1 0 0 1 58.72 <> 416 33
417 41 -69.863000 61.564000 -7.157000 33 S M 2 "SER " " HA " 1 0 0 1 61.33 <> 417 33
418 41 -72.291000 60.264000 -5.872000 33 S M 2 "SER " " HB3" 1 0 0 1 60.74 <> 418 33
419 41 -70.999000 59.402000 -6.694000 33 S M 2 "SER " " HB2" 1 0 0 1 60.74 <> 419 33
420 42 -72.412000 61.482000 -7.997000 33 S M 2 "SER " " HG " 1 0 0 1 66.1 <> 420 33
421 25 -70.974000 63.649000 -5.267000 34 S M 2 "SER " " N " 7 0 0 1 65.61 <> 421 34
422 3 -71.582000 64.971000 -5.109000 34 S M 2 "SER " " CA " 6 0 0 1 68.88 <> 422 34
423 2 -70.537000 66.085000 -5.163000 34 S M 2 "SER " " C " 6 0 0 1 70.6 <> 423 34
424 15 -69.430000 65.937000 -4.632000 34 S M 2 "SER " " O " 8 0 0 1 70.91 <> 424 34
425 3 -72.399000 65.051000 -3.815000 34 S M 2 "SER " " CB " 6 0 0 1 69.2 <> 425 34
426 16 -71.644000 64.614000 -2.699000 34 S M 2 "SER " " OG " 8 0 0 1 74.5 <> 426 34
427 43 -70.260000 63.373000 -4.608000 34 S M 2 "SER " " H " 1 0 0 1 65.61 <> 427 34
428 41 -72.268000 65.121000 -5.943000 34 S M 2 "SER " " HA " 1 0 0 1 68.88 <> 428 34
429 41 -73.293000 64.435000 -3.912000 34 S M 2 "SER " " HB3" 1 0 0 1 69.2 <> 429 34
430 41 -72.723000 66.079000 -3.654000 34 S M 2 "SER " " HB2" 1 0 0 1 69.2 <> 430 34
431 42 -70.866000 65.167000 -2.602000 34 S M 2 "SER " " HG " 1 0 0 1 74.5 <> 431 34
432 25 -70.907000 67.194000 -5.808000 35 K M 2 "LYS " " N " 7 0 0 1 72.38 <> 432 35
433 3 -69.997000 68.318000 -6.096000 35 K M 2 "LYS " " CA " 6 0 0 1 73.59 <> 433 35
434 2 -68.719000 67.892000 -6.843000 35 K M 2 "LYS " " C " 6 0 0 1 73.86 <> 434 35
435 15 -67.748000 68.652000 -6.919000 35 K M 2 "LYS " " O " 8 0 0 1 73.78 <> 435 35
436 3 -69.663000 69.091000 -4.824000 35 K M 2 "LYS " " CB " 6 0 0 1 <> <> 436 35
437 3 -69.371000 70.574000 -5.074000 35 K M 2 "LYS " " CG " 6 0 0 1 <> <> 437 35
438 3 -68.982000 71.366000 -3.819000 35 K M 2 "LYS " " CD " 6 0 0 1 <> <> 438 35
439 3 -68.685000 72.854000 -4.050000 35 K M 2 "LYS " " CE " 6 0 0 1 <> <> 439 35
440 32 -68.317000 73.566000 -2.814000 35 K M 2 "LYS " " NZ " 7 1 0 1 <> <> 440 35
441 43 -71.859000 67.298000 -6.129000 35 K M 2 "LYS " " H " 1 0 0 1 72.38 <> 441 35
442 41 -70.535000 69.002000 -6.752000 35 K M 2 "LYS " " HA " 1 0 0 1 73.59 <> 442 35
443 41 -70.504000 69.035000 -4.133000 35 K M 2 "LYS " " HB2" 1 0 0 1 <> <> 443 35
444 41 -68.780000 68.658000 -4.355000 35 K M 2 "LYS " " HB3" 1 0 0 1 <> <> 444 35
445 41 -68.543000 70.668000 -5.777000 35 K M 2 "LYS " " HG2" 1 0 0 1 <> <> 445 35
446 41 -70.256000 71.054000 -5.490000 35 K M 2 "LYS " " HG3" 1 0 0 1 <> <> 446 35
447 41 -69.795000 71.321000 -3.094000 35 K M 2 "LYS " " HD2" 1 0 0 1 <> <> 447 35
448 41 -68.082000 70.935000 -3.381000 35 K M 2 "LYS " " HD3" 1 0 0 1 <> <> 448 35
449 41 -67.855000 72.955000 -4.749000 35 K M 2 "LYS " " HE2" 1 0 0 1 <> <> 449 35
450 41 -69.568000 73.341000 -4.462000 35 K M 2 "LYS " " HE3" 1 0 0 1 <> <> 450 35
451 44 -67.541000 73.095000 -2.371000 35 K M 2 "LYS " " HZ1" 1 0 0 1 <> <> 451 35
452 44 -68.051000 74.514000 -3.038000 35 K M 2 "LYS " " HZ2" 1 0 0 1 <> <> 452 35
453 44 -69.107000 73.579000 -2.184000 35 K M 2 "LYS " " HZ3" 1 0 0 1 <> <> 453 35
454 25 -68.740000 66.672000 -7.388000 36 C M 2 "CYS " " N " 7 0 0 1 73.86 <> 454 36
455 3 -67.566000 66.032000 -7.989000 36 C M 2 "CYS " " CA " 6 0 0 1 73.08 <> 455 36
456 2 -67.990000 64.803000 -8.820000 36 C M 2 "CYS " " C " 6 0 0 1 71.67 <> 456 36
457 15 -68.629000 63.892000 -8.287000 36 C M 2 "CYS " " O " 8 0 0 1 71.69 <> 457 36
458 3 -66.573000 65.638000 -6.886000 36 C M 2 "CYS " " CB " 6 0 0 1 73.16 <> 458 36
459 49 -64.927000 65.140000 -7.425000 36 C M 2 "CYS " " SG " 16 0 0 1 73.91 <> 459 36
460 43 -69.598000 66.139000 -7.400000 36 C M 2 "CYS " " H " 1 0 0 1 73.86 <> 460 36
461 41 -67.082000 66.749000 -8.652000 36 C M 2 "CYS " " HA " 1 0 0 1 73.08 <> 461 36
462 41 -67.007000 64.844000 -6.279000 36 C M 2 "CYS " " HB3" 1 0 0 1 73.16 <> 462 36
463 41 -66.485000 66.458000 -6.173000 36 C M 2 "CYS " " HB2" 1 0 0 1 73.16 <> 463 36
464 25 -67.633000 64.785000 -10.126000 37 P M 2 "PRO " " N " 7 0 0 1 70.19 <> 464 37
465 3 -68.024000 63.830000 -11.182000 37 P M 2 "PRO " " CA " 6 0 0 1 68.02 <> 465 37
466 2 -68.323000 62.379000 -10.777000 37 P M 2 "PRO " " C " 6 0 0 1 66.17 <> 466 37
467 15 -69.473000 61.949000 -10.878000 37 P M 2 "PRO " " O " 8 0 0 1 66.06 <> 467 37
468 3 -66.836000 63.886000 -12.145000 37 P M 2 "PRO " " CB " 6 0 0 1 67.58 <> 468 37
469 3 -66.377000 65.301000 -12.058000 37 P M 2 "PRO " " CG " 6 0 0 1 70.18 <> 469 37
470 3 -66.732000 65.820000 -10.672000 37 P M 2 "PRO " " CD " 6 0 0 1 70.96 <> 470 37
471 41 -68.899000 64.228000 -11.696000 37 P M 2 "PRO " " HA " 1 0 0 1 68.02 <> 471 37
472 41 -67.183000 63.681000 -13.158000 37 P M 2 "PRO " " HB3" 1 0 0 1 67.58 <> 472 37
473 41 -66.046000 63.228000 -11.782000 37 P M 2 "PRO " " HB2" 1 0 0 1 67.58 <> 473 37
474 41 -66.892000 65.897000 -12.811000 37 P M 2 "PRO " " HG3" 1 0 0 1 70.18 <> 474 37
475 41 -65.296000 65.341000 -12.195000 37 P M 2 "PRO " " HG2" 1 0 0 1 70.18 <> 475 37
476 41 -65.829000 65.869000 -10.063000 37 P M 2 "PRO " " HD2" 1 0 0 1 70.96 <> 476 37
477 41 -67.277000 66.759000 -10.767000 37 P M 2 "PRO " " HD3" 1 0 0 1 70.96 <> 477 37
478 25 -67.315000 61.633000 -10.327000 38 K M 2 "LYS " " N " 7 0 0 1 64.3 <> 478 38
479 3 -67.512000 60.221000 -9.990000 38 K M 2 "LYS " " CA " 6 0 0 1 62.34 <> 479 38
480 2 -66.873000 59.827000 -8.661000 38 K M 2 "LYS " " C " 6 0 0 1 59.91 <> 480 38
481 15 -65.790000 60.301000 -8.321000 38 K M 2 "LYS " " O " 8 0 0 1 60.13 <> 481 38
482 3 -66.996000 59.318000 -11.117000 38 K M 2 "LYS " " CB " 6 0 0 1 62.52 <> 482 38
483 3 -67.524000 57.889000 -11.044000 38 K M 2 "LYS " " CG " 6 0 0 1 68.27 <> 483 38
484 3 -67.297000 57.120000 -12.332000 38 K M 2 "LYS " " CD " 6 0 0 1 143.57 <> 484 38
485 3 -68.040000 55.795000 -12.294000 38 K M 2 "LYS " " CE " 6 0 0 1 98.16 <> 485 38
486 32 -67.846000 55.006000 -13.536000 38 K M 2 "LYS " " NZ " 7 1 0 1 37.98 <> 486 38
487 43 -66.397000 62.039000 -10.213000 38 K M 2 "LYS " " H " 1 0 0 1 64.3 <> 487 38
488 41 -68.585000 60.052000 -9.900000 38 K M 2 "LYS " " HA " 1 0 0 1 62.34 <> 488 38
489 41 -65.906000 59.302000 -11.098000 38 K M 2 "LYS " " HB3" 1 0 0 1 62.52 <> 489 38
490 41 -67.263000 59.753000 -12.080000 38 K M 2 "LYS " " HB2" 1 0 0 1 62.52 <> 490 38
491 41 -68.590000 57.908000 -10.816000 38 K M 2 "LYS " " HG3" 1 0 0 1 68.27 <> 491 38
492 41 -67.040000 57.366000 -10.219000 38 K M 2 "LYS " " HG2" 1 0 0 1 68.27 <> 492 38
493 41 -66.231000 56.935000 -12.461000 38 K M 2 "LYS " " HD3" 1 0 0 1 143.57 <> 493 38
494 41 -67.653000 57.712000 -13.176000 38 K M 2 "LYS " " HD2" 1 0 0 1 143.57 <> 494 38
495 41 -69.104000 55.980000 -12.145000 38 K M 2 "LYS " " HE3" 1 0 0 1 98.16 <> 495 38
496 41 -67.699000 55.213000 -11.438000 38 K M 2 "LYS " " HE2" 1 0 0 1 98.16 <> 496 38
497 44 -66.863000 54.810000 -13.661000 38 K M 2 "LYS " " HZ1" 1 0 0 1 37.98 <> 497 38
498 44 -68.356000 54.137000 -13.466000 38 K M 2 "LYS " " HZ2" 1 0 0 1 37.98 <> 498 38
499 44 -68.187000 55.533000 -14.327000 38 K M 2 "LYS " " HZ3" 1 0 0 1 37.98 <> 499 38
500 25 -67.555000 58.957000 -7.917000 39 E M 2 "GLU " " N " 7 0 0 1 57.7 <> 500 39
501 3 -67.032000 58.455000 -6.649000 39 E M 2 "GLU " " CA " 6 0 0 1 56.58 <> 501 39
502 2 -65.760000 57.643000 -6.890000 39 E M 2 "GLU " " C " 6 0 0 1 55.09 <> 502 39
503 15 -65.727000 56.752000 -7.744000 39 E M 2 "GLU " " O " 8 0 0 1 56.22 <> 503 39
504 3 -68.086000 57.650000 -5.870000 39 E M 2 "GLU " " CB " 6 0 0 1 56.09 <> 504 39
505 3 -68.383000 56.250000 -6.410000 39 E M 2 "GLU " " CG " 6 0 0 1 64.1 <> 505 39
506 2 -69.199000 55.398000 -5.450000 39 E M 2 "GLU " " CD " 6 0 0 1 153.38 <> 506 39
507 15 -68.873000 55.357000 -4.243000 39 E M 2 "GLU " " OE1" 8 0 0 1 62.85 <> 507 39
508 18 -70.174000 54.765000 -5.911000 39 E M 2 "GLU " " OE2" 8 -1 0 1 72.1 <> 508 39
509 43 -68.458000 58.628000 -8.226000 39 E M 2 "GLU " " H " 1 0 0 1 57.7 <> 509 39
510 41 -66.761000 59.318000 -6.040000 39 E M 2 "GLU " " HA " 1 0 0 1 56.58 <> 510 39
511 41 -69.013000 58.222000 -5.823000 39 E M 2 "GLU " " HB3" 1 0 0 1 56.09 <> 511 39
512 41 -67.783000 57.576000 -4.826000 39 E M 2 "GLU " " HB2" 1 0 0 1 56.09 <> 512 39
513 41 -67.445000 55.743000 -6.636000 39 E M 2 "GLU " " HG3" 1 0 0 1 64.1 <> 513 39
514 41 -68.912000 56.333000 -7.359000 39 E M 2 "GLU " " HG2" 1 0 0 1 64.1 <> 514 39
515 25 -64.718000 57.961000 -6.130000 40 A M 2 "ALA " " N " 7 0 2 1 52.18 <> 515 40
516 3 -63.403000 57.385000 -6.364000 40 A M 2 "ALA " " CA " 6 0 2 1 48.63 <> 516 40
517 2 -62.590000 57.240000 -5.088000 40 A M 2 "ALA " " C " 6 0 2 1 45.85 <> 517 40
518 15 -62.816000 57.944000 -4.101000 40 A M 2 "ALA " " O " 8 0 2 1 45.45 <> 518 40
519 3 -62.636000 58.229000 -7.377000 40 A M 2 "ALA " " CB " 6 0 2 1 48.28 <> 519 40
520 43 -64.829000 58.616000 -5.370000 40 A M 2 "ALA " " H " 1 0 2 1 52.18 <> 520 40
521 41 -63.542000 56.391000 -6.790000 40 A M 2 "ALA " " HA " 1 0 2 1 48.63 <> 521 40
522 41 -61.653000 57.790000 -7.546000 40 A M 2 "ALA " " HB1" 1 0 2 1 48.28 <> 522 40
523 41 -63.187000 58.258000 -8.317000 40 A M 2 "ALA " " HB2" 1 0 2 1 48.28 <> 523 40
524 41 -62.520000 59.242000 -6.993000 40 A M 2 "ALA " " HB3" 1 0 2 1 48.28 <> 524 40
525 25 -61.643000 56.312000 -5.131000 41 V M 2 "VAL " " N " 7 0 2 1 42.68 <> 525 41
526 3 -60.617000 56.198000 -4.115000 41 V M 2 "VAL " " CA " 6 0 2 1 40.24 <> 526 41
527 2 -59.400000 56.941000 -4.654000 41 V M 2 "VAL " " C " 6 0 2 1 40.01 <> 527 41
528 15 -59.009000 56.740000 -5.806000 41 V M 2 "VAL " " O " 8 0 2 1 40.84 <> 528 41
529 3 -60.265000 54.720000 -3.839000 41 V M 2 "VAL " " CB " 6 0 2 1 40.56 <> 529 41
530 3 -59.257000 54.603000 -2.700000 41 V M 2 "VAL " " CG1" 6 0 2 1 38.23 <> 530 41
531 3 -61.529000 53.922000 -3.527000 41 V M 2 "VAL " " CG2" 6 0 2 1 30.53 <> 531 41
532 43 -61.619000 55.650000 -5.893000 41 V M 2 "VAL " " H " 1 0 2 1 42.68 <> 532 41
533 41 -60.958000 56.672000 -3.195000 41 V M 2 "VAL " " HA " 1 0 2 1 40.24 <> 533 41
534 41 -59.812000 54.304000 -4.739000 41 V M 2 "VAL " " HB " 1 0 2 1 40.56 <> 534 41
535 41 -59.026000 53.552000 -2.525000 41 V M 2 "VAL " "HG11" 1 0 2 1 38.23 <> 535 41
536 41 -58.344000 55.136000 -2.966000 41 V M 2 "VAL " "HG12" 1 0 2 1 38.23 <> 536 41
537 41 -59.680000 55.037000 -1.794000 41 V M 2 "VAL " "HG13" 1 0 2 1 38.23 <> 537 41
538 41 -61.265000 52.882000 -3.335000 41 V M 2 "VAL " "HG21" 1 0 2 1 30.53 <> 538 41
539 41 -62.016000 54.341000 -2.647000 41 V M 2 "VAL " "HG22" 1 0 2 1 30.53 <> 539 41
540 41 -62.210000 53.972000 -4.377000 41 V M 2 "VAL " "HG23" 1 0 2 1 30.53 <> 540 41
541 25 -58.806000 57.795000 -3.827000 42 I M 2 "ILE " " N " 7 0 2 1 39 <> 541 42
542 3 -57.564000 58.469000 -4.194000 42 I M 2 "ILE " " CA " 6 0 2 1 36.8 <> 542 42
543 2 -56.451000 57.972000 -3.282000 42 I M 2 "ILE " " C " 6 0 2 1 36.62 <> 543 42
544 15 -56.453000 58.249000 -2.079000 42 I M 2 "ILE " " O " 8 0 2 1 36.47 <> 544 42
545 3 -57.678000 60.011000 -4.119000 42 I M 2 "ILE " " CB " 6 0 2 1 36.67 <> 545 42
546 3 -58.874000 60.507000 -4.939000 42 I M 2 "ILE " " CG1" 6 0 2 1 34.32 <> 546 42
547 3 -56.386000 60.666000 -4.605000 42 I M 2 "ILE " " CG2" 6 0 2 1 33.16 <> 547 42
548 3 -59.178000 61.988000 -4.766000 42 I M 2 "ILE " " CD1" 6 0 2 1 47.75 <> 548 42
549 43 -59.213000 57.989000 -2.923000 42 I M 2 "ILE " " H " 1 0 2 1 39 <> 549 42
550 41 -57.315000 58.194000 -5.219000 42 I M 2 "ILE " " HA " 1 0 2 1 36.8 <> 550 42
551 41 -57.835000 60.293000 -3.078000 42 I M 2 "ILE " " HB " 1 0 2 1 36.67 <> 551 42
552 41 -59.757000 59.924000 -4.678000 42 I M 2 "ILE " "HG13" 1 0 2 1 34.32 <> 552 42
553 41 -58.702000 60.294000 -5.994000 42 I M 2 "ILE " "HG12" 1 0 2 1 34.32 <> 553 42
554 41 -56.483000 61.750000 -4.546000 42 I M 2 "ILE " "HG21" 1 0 2 1 33.16 <> 554 42
555 41 -55.555000 60.341000 -3.978000 42 I M 2 "ILE " "HG22" 1 0 2 1 33.16 <> 555 42
556 41 -56.197000 60.375000 -5.638000 42 I M 2 "ILE " "HG23" 1 0 2 1 33.16 <> 556 42
557 41 -60.038000 62.257000 -5.380000 42 I M 2 "ILE " "HD11" 1 0 2 1 47.75 <> 557 42
558 41 -59.401000 62.194000 -3.719000 42 I M 2 "ILE " "HD12" 1 0 2 1 47.75 <> 558 42
559 41 -58.313000 62.575000 -5.075000 42 I M 2 "ILE " "HD13" 1 0 2 1 47.75 <> 559 42
560 25 -55.506000 57.236000 -3.865000 43 F M 2 "PHE " " N " 7 0 2 1 35.8 <> 560 43
561 3 -54.370000 56.704000 -3.123000 43 F M 2 "PHE " " CA " 6 0 2 1 34.24 <> 561 43
562 2 -53.248000 57.719000 -3.016000 43 F M 2 "PHE " " C " 6 0 2 1 34.9 <> 562 43
563 15 -52.858000 58.326000 -4.010000 43 F M 2 "PHE " " O " 8 0 2 1 35.27 <> 563 43
564 3 -53.837000 55.433000 -3.782000 43 F M 2 "PHE " " CB " 6 0 2 1 33.62 <> 564 43
565 2 -54.712000 54.233000 -3.582000 43 F M 2 "PHE " " CG " 6 0 2 1 31.4 <> 565 43
566 2 -55.522000 53.771000 -4.612000 43 F M 2 "PHE " " CD1" 6 0 2 1 34.58 <> 566 43
567 2 -54.727000 53.563000 -2.363000 43 F M 2 "PHE " " CD2" 6 0 2 1 32.86 <> 567 43
568 2 -56.338000 52.655000 -4.432000 43 F M 2 "PHE " " CE1" 6 0 2 1 19.2 <> 568 43
569 2 -55.538000 52.448000 -2.173000 43 F M 2 "PHE " " CE2" 6 0 2 1 41.92 <> 569 43
570 2 -56.345000 51.993000 -3.210000 43 F M 2 "PHE " " CZ " 6 0 2 1 43.25 <> 570 43
571 43 -55.563000 57.031000 -4.852000 43 F M 2 "PHE " " H " 1 0 2 1 35.8 <> 571 43
572 41 -54.704000 56.454000 -2.116000 43 F M 2 "PHE " " HA " 1 0 2 1 34.24 <> 572 43
573 41 -52.838000 55.220000 -3.401000 43 F M 2 "PHE " " HB3" 1 0 2 1 33.62 <> 573 43
574 41 -53.702000 55.608000 -4.849000 43 F M 2 "PHE " " HB2" 1 0 2 1 33.62 <> 574 43
575 41 -55.524000 54.278000 -5.566000 43 F M 2 "PHE " " HD1" 1 0 2 1 34.58 <> 575 43
576 41 -54.104000 53.907000 -1.550000 43 F M 2 "PHE " " HD2" 1 0 2 1 32.86 <> 576 43
577 41 -56.963000 52.307000 -5.241000 43 F M 2 "PHE " " HE1" 1 0 2 1 19.2 <> 577 43
578 41 -55.540000 51.938000 -1.221000 43 F M 2 "PHE " " HE2" 1 0 2 1 41.92 <> 578 43
579 41 -56.976000 51.128000 -3.068000 43 F M 2 "PHE " " HZ " 1 0 2 1 43.25 <> 579 43
580 25 -52.737000 57.896000 -1.800000 44 K M 2 "LYS " " N " 7 0 2 1 35.41 <> 580 44
581 3 -51.511000 58.647000 -1.576000 44 K M 2 "LYS " " CA " 6 0 2 1 36.13 <> 581 44
582 2 -50.348000 57.671000 -1.719000 44 K M 2 "LYS " " C " 6 0 2 1 36.43 <> 582 44
583 15 -50.202000 56.739000 -0.923000 44 K M 2 "LYS " " O " 8 0 2 1 36.37 <> 583 44
584 3 -51.517000 59.304000 -0.188000 44 K M 2 "LYS " " CB " 6 0 2 1 36.8 <> 584 44
585 3 -50.252000 60.093000 0.167000 44 K M 2 "LYS " " CG " 6 0 2 1 34.66 <> 585 44
586 3 -50.281000 61.511000 -0.381000 44 K M 2 "LYS " " CD " 6 0 2 1 59.73 <> 586 44
587 3 -49.018000 62.279000 -0.012000 44 K M 2 "LYS " " CE " 6 0 2 1 76.37 <> 587 44
588 32 -48.907000 62.543000 1.449000 44 K M 2 "LYS " " NZ " 7 1 2 1 53.22 <> 588 44
589 43 -53.203000 57.503000 -0.994000 44 K M 2 "LYS " " H " 1 0 2 1 35.41 <> 589 44
590 41 -51.423000 59.422000 -2.338000 44 K M 2 "LYS " " HA " 1 0 2 1 36.13 <> 590 44
591 41 -51.691000 58.541000 0.571000 44 K M 2 "LYS " " HB3" 1 0 2 1 36.8 <> 591 44
592 41 -52.385000 59.957000 -0.102000 44 K M 2 "LYS " " HB2" 1 0 2 1 36.8 <> 592 44
593 41 -49.378000 59.571000 -0.223000 44 K M 2 "LYS " " HG3" 1 0 2 1 34.66 <> 593 44
594 41 -50.137000 60.125000 1.250000 44 K M 2 "LYS " " HG2" 1 0 2 1 34.66 <> 594 44
595 41 -51.152000 62.034000 0.013000 44 K M 2 "LYS " " HD3" 1 0 2 1 59.73 <> 595 44
596 41 -50.382000 61.479000 -1.466000 44 K M 2 "LYS " " HD2" 1 0 2 1 59.73 <> 596 44
597 41 -48.998000 63.225000 -0.553000 44 K M 2 "LYS " " HE3" 1 0 2 1 76.37 <> 597 44
598 41 -48.144000 61.720000 -0.347000 44 K M 2 "LYS " " HE2" 1 0 2 1 76.37 <> 598 44
599 44 -49.201000 61.725000 1.963000 44 K M 2 "LYS " " HZ1" 1 0 2 1 53.22 <> 599 44
600 44 -47.948000 62.759000 1.681000 44 K M 2 "LYS " " HZ2" 1 0 2 1 53.22 <> 600 44
601 44 -49.497000 63.325000 1.696000 44 K M 2 "LYS " " HZ3" 1 0 2 1 53.22 <> 601 44
602 25 -49.529000 57.898000 -2.742000 45 T M 2 "THR " " N " 7 0 2 1 36.69 <> 602 45
603 3 -48.408000 57.019000 -3.074000 45 T M 2 "THR " " CA " 6 0 2 1 35.97 <> 603 45
604 2 -47.217000 57.225000 -2.138000 45 T M 2 "THR " " C " 6 0 2 1 36.29 <> 604 45
605 15 -47.082000 58.276000 -1.510000 45 T M 2 "THR " " O " 8 0 2 1 36.97 <> 605 45
606 3 -47.969000 57.229000 -4.543000 45 T M 2 "THR " " CB " 6 0 2 1 34.36 <> 606 45
607 16 -48.999000 56.758000 -5.419000 45 T M 2 "THR " " OG1" 8 0 2 1 38.55 <> 607 45
608 3 -46.704000 56.474000 -4.846000 45 T M 2 "THR " " CG2" 6 0 2 1 34.99 <> 608 45
609 43 -49.668000 58.707000 -3.330000 45 T M 2 "THR " " H " 1 0 2 1 36.69 <> 609 45
610 41 -48.746000 55.988000 -2.968000 45 T M 2 "THR " " HA " 1 0 2 1 35.97 <> 610 45
611 41 -47.804000 58.292000 -4.720000 45 T M 2 "THR " " HB " 1 0 2 1 34.36 <> 611 45
612 42 -49.809000 57.247000 -5.254000 45 T M 2 "THR " " HG1" 1 0 2 1 38.55 <> 612 45
613 41 -46.421000 56.641000 -5.885000 45 T M 2 "THR " "HG21" 1 0 2 1 34.99 <> 613 45
614 41 -45.906000 56.824000 -4.192000 45 T M 2 "THR " "HG22" 1 0 2 1 34.99 <> 614 45
615 41 -46.868000 55.409000 -4.681000 45 T M 2 "THR " "HG23" 1 0 2 1 34.99 <> 615 45
616 25 -46.361000 56.209000 -2.057000 46 I M 2 "ILE " " N " 7 0 0 1 36.96 <> 616 46
617 3 -45.097000 56.286000 -1.331000 46 I M 2 "ILE " " CA " 6 0 0 1 37.85 <> 617 46
618 2 -44.154000 57.352000 -1.931000 46 I M 2 "ILE " " C " 6 0 0 1 37.8 <> 618 46
619 15 -43.174000 57.754000 -1.301000 46 I M 2 "ILE " " O " 8 0 0 1 36.86 <> 619 46
620 3 -44.415000 54.877000 -1.258000 46 I M 2 "ILE " " CB " 6 0 0 1 38.43 <> 620 46
621 3 -43.647000 54.696000 0.056000 46 I M 2 "ILE " " CG1" 6 0 0 1 44.08 <> 621 46
622 3 -43.532000 54.599000 -2.483000 46 I M 2 "ILE " " CG2" 6 0 0 1 35.99 <> 622 46
623 3 -44.526000 54.348000 1.252000 46 I M 2 "ILE " " CD1" 6 0 0 1 141.89 <> 623 46
624 43 -46.573000 55.332000 -2.511000 46 I M 2 "ILE " " H " 1 0 0 1 36.96 <> 624 46
625 41 -45.326000 56.591000 -0.310000 46 I M 2 "ILE " " HA " 1 0 0 1 37.85 <> 625 46
626 41 -45.214000 54.135000 -1.265000 46 I M 2 "ILE " " HB " 1 0 0 1 38.43 <> 626 46
627 41 -43.084000 55.604000 0.273000 46 I M 2 "ILE " "HG13" 1 0 0 1 44.08 <> 627 46
628 41 -42.889000 53.923000 -0.072000 46 I M 2 "ILE " "HG12" 1 0 0 1 44.08 <> 628 46
629 41 -43.080000 53.612000 -2.389000 46 I M 2 "ILE " "HG21" 1 0 0 1 35.99 <> 629 46
630 41 -44.141000 54.635000 -3.386000 46 I M 2 "ILE " "HG22" 1 0 0 1 35.99 <> 630 46
631 41 -42.747000 55.353000 -2.545000 46 I M 2 "ILE " "HG23" 1 0 0 1 35.99 <> 631 46
632 41 -43.904000 54.237000 2.141000 46 I M 2 "ILE " "HD11" 1 0 0 1 141.89 <> 632 46
633 41 -45.252000 55.145000 1.414000 46 I M 2 "ILE " "HD12" 1 0 0 1 141.89 <> 633 46
634 41 -45.051000 53.413000 1.058000 46 I M 2 "ILE " "HD13" 1 0 0 1 141.89 <> 634 46
635 25 -44.469000 57.796000 -3.148000 47 V M 2 "VAL " " N " 7 0 0 1 38.66 <> 635 47
636 3 -43.694000 58.808000 -3.872000 47 V M 2 "VAL " " CA " 6 0 0 1 39.84 <> 636 47
637 2 -44.495000 60.117000 -4.013000 47 V M 2 "VAL " " C " 6 0 0 1 40.59 <> 637 47
638 15 -44.469000 60.776000 -5.058000 47 V M 2 "VAL " " O " 8 0 0 1 41.02 <> 638 47
639 3 -43.207000 58.271000 -5.261000 47 V M 2 "VAL " " CB " 6 0 0 1 39.55 <> 639 47
640 3 -42.337000 59.295000 -5.986000 47 V M 2 "VAL " " CG1" 6 0 0 1 46.2 <> 640 47
641 3 -42.423000 56.976000 -5.092000 47 V M 2 "VAL " " CG2" 6 0 0 1 39.68 <> 641 47
642 43 -45.283000 57.433000 -3.623000 47 V M 2 "VAL " " H " 1 0 0 1 38.66 <> 642 47
643 41 -42.808000 59.029000 -3.277000 47 V M 2 "VAL " " HA " 1 0 0 1 39.84 <> 643 47
644 41 -44.083000 58.066000 -5.877000 47 V M 2 "VAL " " HB " 1 0 0 1 39.55 <> 644 47
645 41 -42.018000 58.887000 -6.945000 47 V M 2 "VAL " "HG11" 1 0 0 1 46.2 <> 645 47
646 41 -42.910000 60.207000 -6.152000 47 V M 2 "VAL " "HG12" 1 0 0 1 46.2 <> 646 47
647 41 -41.461000 59.523000 -5.379000 47 V M 2 "VAL " "HG13" 1 0 0 1 46.2 <> 647 47
648 41 -42.094000 56.620000 -6.068000 47 V M 2 "VAL " "HG21" 1 0 0 1 39.68 <> 648 47
649 41 -41.554000 57.157000 -4.460000 47 V M 2 "VAL " "HG22" 1 0 0 1 39.68 <> 649 47
650 41 -43.060000 56.223000 -4.627000 47 V M 2 "VAL " "HG23" 1 0 0 1 39.68 <> 650 47
651 25 -45.205000 60.479000 -2.945000 48 A M 2 "ALA " " N " 7 0 0 1 41.53 <> 651 48
652 3 -45.919000 61.766000 -2.821000 48 A M 2 "ALA " " CA " 6 0 0 1 42.39 <> 652 48
653 2 -47.191000 61.960000 -3.668000 48 A M 2 "ALA " " C " 6 0 0 1 43.38 <> 653 48
654 15 -48.159000 62.552000 -3.185000 48 A M 2 "ALA " " O " 8 0 0 1 44.08 <> 654 48
655 3 -44.956000 62.951000 -3.013000 48 A M 2 "ALA " " CB " 6 0 0 1 42.38 <> 655 48
656 43 -45.279000 59.856000 -2.153000 48 A M 2 "ALA " " H " 1 0 0 1 41.53 <> 656 48
657 41 -46.247000 61.820000 -1.783000 48 A M 2 "ALA " " HA " 1 0 0 1 42.39 <> 657 48
658 41 -45.507000 63.887000 -2.917000 48 A M 2 "ALA " " HB1" 1 0 0 1 42.38 <> 658 48
659 41 -44.174000 62.911000 -2.255000 48 A M 2 "ALA " " HB2" 1 0 0 1 42.38 <> 659 48
660 41 -44.504000 62.896000 -4.003000 48 A M 2 "ALA " " HB3" 1 0 0 1 42.38 <> 660 48
661 25 -47.193000 61.474000 -4.910000 49 K M 2 "LYS " " N " 7 0 0 1 43.38 <> 661 49
662 3 -48.302000 61.738000 -5.849000 49 K M 2 "LYS " " CA " 6 0 0 1 43.04 <> 662 49
663 2 -49.576000 60.944000 -5.540000 49 K M 2 "LYS " " C " 6 0 0 1 42.47 <> 663 49
664 15 -49.533000 59.932000 -4.839000 49 K M 2 "LYS " " O " 8 0 0 1 42.44 <> 664 49
665 3 -47.862000 61.519000 -7.307000 49 K M 2 "LYS " " CB " 6 0 0 1 42.78 <> 665 49
666 3 -47.572000 60.067000 -7.687000 49 K M 2 "LYS " " CG " 6 0 0 1 41.42 <> 666 49
667 3 -46.875000 59.978000 -9.037000 49 K M 2 "LYS " " CD " 6 0 0 1 107.41 <> 667 49
668 3 -46.473000 58.548000 -9.358000 49 K M 2 "LYS " " CE " 6 0 0 1 97.8 <> 668 49
669 32 -45.579000 58.472000 -10.546000 49 K M 2 "LYS " " NZ " 7 1 0 1 32.32 <> 669 49
670 43 -46.421000 60.908000 -5.232000 49 K M 2 "LYS " " H " 1 0 0 1 43.38 <> 670 49
671 41 -48.555000 62.794000 -5.750000 49 K M 2 "LYS " " HA " 1 0 0 1 43.04 <> 671 49
672 41 -46.982000 62.128000 -7.513000 49 K M 2 "LYS " " HB3" 1 0 0 1 42.78 <> 672 49
673 41 -48.621000 61.922000 -7.977000 49 K M 2 "LYS " " HB2" 1 0 0 1 42.78 <> 673 49
674 41 -48.507000 59.508000 -7.724000 49 K M 2 "LYS " " HG3" 1 0 0 1 41.42 <> 674 49
675 41 -46.943000 59.611000 -6.923000 49 K M 2 "LYS " " HG2" 1 0 0 1 41.42 <> 675 49
676 41 -45.988000 60.611000 -9.030000 49 K M 2 "LYS " " HD3" 1 0 0 1 107.41 <> 676 49
677 41 -47.542000 60.351000 -9.815000 49 K M 2 "LYS " " HD2" 1 0 0 1 107.41 <> 677 49
678 41 -47.367000 57.952000 -9.539000 49 K M 2 "LYS " " HE3" 1 0 0 1 97.8 <> 678 49
679 41 -45.969000 58.111000 -8.496000 49 K M 2 "LYS " " HE2" 1 0 0 1 97.8 <> 679 49
680 44 -44.787000 59.084000 -10.411000 49 K M 2 "LYS " " HZ1" 1 0 0 1 32.32 <> 680 49
681 44 -45.254000 57.523000 -10.664000 49 K M 2 "LYS " " HZ2" 1 0 0 1 32.32 <> 681 49
682 44 -46.088000 58.758000 -11.370000 49 K M 2 "LYS " " HZ3" 1 0 0 1 32.32 <> 682 49
683 25 -50.703000 61.415000 -6.069000 50 E M 2 "GLU " " N " 7 0 2 1 40.91 <> 683 50
684 3 -51.994000 60.764000 -5.855000 50 E M 2 "GLU " " CA " 6 0 2 1 40.14 <> 684 50
685 2 -52.590000 60.145000 -7.122000 50 E M 2 "GLU " " C " 6 0 2 1 39.27 <> 685 50
686 15 -52.594000 60.761000 -8.190000 50 E M 2 "GLU " " O " 8 0 2 1 39.08 <> 686 50
687 3 -52.990000 61.742000 -5.235000 50 E M 2 "GLU " " CB " 6 0 2 1 39.9 <> 687 50
688 3 -52.864000 61.889000 -3.731000 50 E M 2 "GLU " " CG " 6 0 2 1 40.76 <> 688 50
689 2 -53.732000 63.003000 -3.184000 50 E M 2 "GLU " " CD " 6 0 2 1 44.34 <> 689 50
690 15 -53.705000 64.118000 -3.751000 50 E M 2 "GLU " " OE1" 8 0 2 1 54.46 <> 690 50
691 18 -54.444000 62.764000 -2.185000 50 E M 2 "GLU " " OE2" 8 -1 2 1 40.01 <> 691 50
692 43 -50.683000 62.248000 -6.639000 50 E M 2 "GLU " " H " 1 0 2 1 40.91 <> 692 50
693 41 -51.839000 59.957000 -5.139000 50 E M 2 "GLU " " HA " 1 0 2 1 40.14 <> 693 50
694 41 -54.005000 61.431000 -5.484000 50 E M 2 "GLU " " HB3" 1 0 2 1 39.9 <> 694 50
695 41 -52.876000 62.719000 -5.704000 50 E M 2 "GLU " " HB2" 1 0 2 1 39.9 <> 695 50
696 41 -51.823000 62.080000 -3.472000 50 E M 2 "GLU " " HG3" 1 0 2 1 40.76 <> 696 50
697 41 -53.136000 60.949000 -3.251000 50 E M 2 "GLU " " HG2" 1 0 2 1 40.76 <> 697 50
698 25 -53.092000 58.922000 -6.983000 51 I M 2 "ILE " " N " 7 0 2 1 37.73 <> 698 51
699 3 -53.687000 58.191000 -8.093000 51 I M 2 "ILE " " CA " 6 0 2 1 37.49 <> 699 51
700 2 -55.183000 57.988000 -7.855000 51 I M 2 "ILE " " C " 6 0 2 1 38.33 <> 700 51
701 15 -55.598000 57.603000 -6.756000 51 I M 2 "ILE " " O " 8 0 2 1 38.66 <> 701 51
702 3 -52.997000 56.804000 -8.296000 51 I M 2 "ILE " " CB " 6 0 2 1 37.3 <> 702 51
703 3 -51.482000 56.950000 -8.518000 51 I M 2 "ILE " " CG1" 6 0 2 1 32.42 <> 703 51
704 3 -53.638000 56.034000 -9.441000 51 I M 2 "ILE " " CG2" 6 0 2 1 36.9 <> 704 51
705 3 -51.076000 57.669000 -9.816000 51 I M 2 "ILE " " CD1" 6 0 2 1 21.7 <> 705 51
706 43 -53.069000 58.466000 -6.082000 51 I M 2 "ILE " " H " 1 0 2 1 37.73 <> 706 51
707 41 -53.558000 58.778000 -9.002000 51 I M 2 "ILE " " HA " 1 0 2 1 37.49 <> 707 51
708 41 -53.144000 56.225000 -7.384000 51 I M 2 "ILE " " HB " 1 0 2 1 37.3 <> 708 51
709 41 -51.017000 55.964000 -8.491000 51 I M 2 "ILE " "HG13" 1 0 2 1 32.42 <> 709 51
710 41 -51.041000 57.468000 -7.666000 51 I M 2 "ILE " "HG12" 1 0 2 1 32.42 <> 710 51
711 41 -53.137000 55.073000 -9.559000 51 I M 2 "ILE " "HG21" 1 0 2 1 36.9 <> 711 51
712 41 -54.693000 55.869000 -9.223000 51 I M 2 "ILE " "HG22" 1 0 2 1 36.9 <> 712 51
713 41 -53.544000 56.608000 -10.363000 51 I M 2 "ILE " "HG23" 1 0 2 1 36.9 <> 713 51
714 41 -49.989000 57.721000 -9.879000 51 I M 2 "ILE " "HD11" 1 0 2 1 21.7 <> 714 51
715 41 -51.463000 57.118000 -10.673000 51 I M 2 "ILE " "HD12" 1 0 2 1 21.7 <> 715 51
716 41 -51.488000 58.678000 -9.817000 51 I M 2 "ILE " "HD13" 1 0 2 1 21.7 <> 716 51
717 25 -55.983000 58.247000 -8.888000 52 C M 2 "CYS " " N " 7 0 2 1 38 <> 717 52
718 3 -57.411000 57.932000 -8.864000 52 C M 2 "CYS " " CA " 6 0 2 1 37.8 <> 718 52
719 2 -57.636000 56.454000 -9.170000 52 C M 2 "CYS " " C " 6 0 2 1 36.89 <> 719 52
720 15 -57.080000 55.922000 -10.129000 52 C M 2 "CYS " " O " 8 0 2 1 35.7 <> 720 52
721 3 -58.170000 58.798000 -9.870000 52 C M 2 "CYS " " CB " 6 0 2 1 37.19 <> 721 52
722 49 -58.173000 60.553000 -9.472000 52 C M 2 "CYS " " SG " 16 0 2 1 45.51 <> 722 52
723 43 -55.608000 58.674000 -9.723000 52 C M 2 "CYS " " H " 1 0 2 1 38 <> 723 52
724 41 -57.796000 58.142000 -7.866000 52 C M 2 "CYS " " HA " 1 0 2 1 37.8 <> 724 52
725 41 -59.198000 58.444000 -9.949000 52 C M 2 "CYS " " HB3" 1 0 2 1 37.19 <> 725 52
726 41 -57.746000 58.654000 -10.864000 52 C M 2 "CYS " " HB2" 1 0 2 1 37.19 <> 726 52
727 25 -58.452000 55.797000 -8.352000 53 A M 2 "ALA " " N " 7 0 2 1 37.59 <> 727 53
728 3 -58.741000 54.374000 -8.532000 53 A M 2 "ALA " " CA " 6 0 2 1 39.26 <> 728 53
729 2 -60.238000 54.081000 -8.464000 53 A M 2 "ALA " " C " 6 0 2 1 40.52 <> 729 53
730 15 -60.982000 54.780000 -7.777000 53 A M 2 "ALA " " O " 8 0 2 1 40.26 <> 730 53
731 3 -57.981000 53.540000 -7.512000 53 A M 2 "ALA " " CB " 6 0 2 1 38.1 <> 731 53
732 43 -58.891000 56.280000 -7.581000 53 A M 2 "ALA " " H " 1 0 2 1 37.59 <> 732 53
733 41 -58.391000 54.087000 -9.523000 53 A M 2 "ALA " " HA " 1 0 2 1 39.26 <> 733 53
734 41 -58.209000 52.485000 -7.662000 53 A M 2 "ALA " " HB1" 1 0 2 1 38.1 <> 734 53
735 41 -56.910000 53.701000 -7.636000 53 A M 2 "ALA " " HB2" 1 0 2 1 38.1 <> 735 53
736 41 -58.278000 53.836000 -6.506000 53 A M 2 "ALA " " HB3" 1 0 2 1 38.1 <> 736 53
737 25 -60.659000 53.042000 -9.184000 54 D M 2 "ASP " " N " 7 0 0 1 42.42 <> 737 54
738 3 -62.060000 52.638000 -9.262000 54 D M 2 "ASP " " CA " 6 0 0 1 44.93 <> 738 54
739 2 -62.479000 51.842000 -8.023000 54 D M 2 "ASP " " C " 6 0 0 1 46.84 <> 739 54
740 15 -61.970000 50.742000 -7.798000 54 D M 2 "ASP " " O " 8 0 0 1 46.5 <> 740 54
741 3 -62.294000 51.801000 -10.525000 54 D M 2 "ASP " " CB " 6 0 0 1 45.53 <> 741 54
742 2 -63.769000 51.643000 -10.873000 54 D M 2 "ASP " " CG " 6 0 0 1 46.84 <> 742 54
743 15 -64.612000 51.557000 -9.955000 54 D M 2 "ASP " " OD1" 8 0 0 1 67.14 <> 743 54
744 18 -64.086000 51.606000 -12.079000 54 D M 2 "ASP " " OD2" 8 -1 0 1 53 <> 744 54
745 43 -59.996000 52.491000 -9.711000 54 D M 2 "ASP " " H " 1 0 0 1 42.42 <> 745 54
746 41 -62.676000 53.535000 -9.322000 54 D M 2 "ASP " " HA " 1 0 0 1 44.93 <> 746 54
747 41 -61.845000 50.816000 -10.395000 54 D M 2 "ASP " " HB3" 1 0 0 1 45.53 <> 747 54
748 41 -61.771000 52.259000 -11.365000 54 D M 2 "ASP " " HB2" 1 0 0 1 45.53 <> 748 54
749 25 -63.409000 52.394000 -7.214000 55 P M 2 "PRO " " N " 7 0 0 1 48.33 <> 749 55
750 3 -63.866000 51.675000 -6.020000 55 P M 2 "PRO " " CA " 6 0 0 1 49.51 <> 750 55
751 2 -64.584000 50.358000 -6.335000 55 P M 2 "PRO " " C " 6 0 0 1 50.93 <> 751 55
752 15 -64.638000 49.476000 -5.482000 55 P M 2 "PRO " " O " 8 0 0 1 51.27 <> 752 55
753 3 -64.818000 52.669000 -5.343000 55 P M 2 "PRO " " CB " 6 0 0 1 48.9 <> 753 55
754 3 -65.219000 53.621000 -6.408000 55 P M 2 "PRO " " CG " 6 0 0 1 48.47 <> 754 55
755 3 -64.075000 53.703000 -7.361000 55 P M 2 "PRO " " CD " 6 0 0 1 47.92 <> 755 55
756 41 -63.017000 51.480000 -5.365000 55 P M 2 "PRO " " HA " 1 0 0 1 49.51 <> 756 55
757 41 -64.283000 53.206000 -4.560000 55 P M 2 "PRO " " HB3" 1 0 0 1 48.9 <> 757 55
758 41 -65.699000 52.138000 -4.982000 55 P M 2 "PRO " " HB2" 1 0 0 1 48.9 <> 758 55
759 41 -65.396000 54.603000 -5.969000 55 P M 2 "PRO " " HG3" 1 0 0 1 48.47 <> 759 55
760 41 -66.096000 53.235000 -6.927000 55 P M 2 "PRO " " HG2" 1 0 0 1 48.47 <> 760 55
761 41 -64.459000 53.800000 -8.377000 55 P M 2 "PRO " " HD2" 1 0 0 1 47.92 <> 761 55
762 41 -63.394000 54.491000 -7.040000 55 P M 2 "PRO " " HD3" 1 0 0 1 47.92 <> 762 55
763 25 -65.123000 50.233000 -7.546000 56 K M 2 "LYS " " N " 7 0 0 1 51.77 <> 763 56
764 3 -65.791000 49.002000 -7.975000 56 K M 2 "LYS " " CA " 6 0 0 1 52.88 <> 764 56
765 2 -64.784000 47.902000 -8.341000 56 K M 2 "LYS " " C " 6 0 0 1 54 <> 765 56
766 15 -65.141000 46.722000 -8.403000 56 K M 2 "LYS " " O " 8 0 0 1 54.56 <> 766 56
767 3 -66.733000 49.279000 -9.154000 56 K M 2 "LYS " " CB " 6 0 0 1 52.59 <> 767 56
768 3 -67.752000 50.400000 -8.908000 56 K M 2 "LYS " " CG " 6 0 0 1 55.6 <> 768 56
769 3 -68.685000 50.614000 -10.104000 56 K M 2 "LYS " " CD " 6 0 0 1 72.65 <> 769 56
770 3 -67.975000 51.241000 -11.306000 56 K M 2 "LYS " " CE " 6 0 0 1 83.06 <> 770 56
771 32 -67.534000 52.641000 -11.045000 56 K M 2 "LYS " " NZ " 7 1 0 1 114.57 <> 771 56
772 43 -65.078000 51.001000 -8.200000 56 K M 2 "LYS " " H " 1 0 0 1 51.77 <> 772 56
773 41 -66.394000 48.640000 -7.142000 56 K M 2 "LYS " " HA " 1 0 0 1 52.88 <> 773 56
774 41 -67.261000 48.362000 -9.417000 56 K M 2 "LYS " " HB3" 1 0 0 1 52.59 <> 774 56
775 41 -66.143000 49.515000 -10.040000 56 K M 2 "LYS " " HB2" 1 0 0 1 52.59 <> 775 56
776 41 -67.224000 51.328000 -8.690000 56 K M 2 "LYS " " HG3" 1 0 0 1 55.6 <> 776 56
777 41 -68.344000 50.164000 -8.024000 56 K M 2 "LYS " " HG2" 1 0 0 1 55.6 <> 777 56
778 41 -69.519000 51.249000 -9.804000 56 K M 2 "LYS " " HD3" 1 0 0 1 72.65 <> 778 56
779 41 -69.121000 49.659000 -10.398000 56 K M 2 "LYS " " HD2" 1 0 0 1 72.65 <> 779 56
780 41 -68.641000 51.226000 -12.169000 56 K M 2 "LYS " " HE3" 1 0 0 1 83.06 <> 780 56
781 41 -67.111000 50.633000 -11.574000 56 K M 2 "LYS " " HE2" 1 0 0 1 83.06 <> 781 56
782 44 -66.792000 52.639000 -10.360000 56 K M 2 "LYS " " HZ1" 1 0 0 1 114.57 <> 782 56
783 44 -67.198000 53.054000 -11.903000 56 K M 2 "LYS " " HZ2" 1 0 0 1 114.57 <> 783 56
784 44 -68.313000 53.180000 -10.695000 56 K M 2 "LYS " " HZ3" 1 0 0 1 114.57 <> 784 56
785 25 -63.535000 48.300000 -8.581000 57 Q M 2 "GLN " " N " 7 0 0 1 53.86 <> 785 57
786 3 -62.463000 47.385000 -8.978000 57 Q M 2 "GLN " " CA " 6 0 0 1 52.94 <> 786 57
787 2 -61.900000 46.639000 -7.766000 57 Q M 2 "GLN " " C " 6 0 0 1 52.94 <> 787 57
788 15 -61.734000 47.219000 -6.693000 57 Q M 2 "GLN " " O " 8 0 0 1 53.16 <> 788 57
789 3 -61.359000 48.160000 -9.700000 57 Q M 2 "GLN " " CB " 6 0 0 1 52.85 <> 789 57
790 3 -60.729000 47.437000 -10.884000 57 Q M 2 "GLN " " CG " 6 0 0 1 52.07 <> 790 57
791 2 -60.000000 48.388000 -11.824000 57 Q M 2 "GLN " " CD " 6 0 0 1 134.91 <> 791 57
792 15 -58.789000 48.272000 -12.028000 57 Q M 2 "GLN " " OE1" 8 0 0 1 61.45 <> 792 57
793 25 -60.736000 49.335000 -12.402000 57 Q M 2 "GLN " " NE2" 7 0 0 1 44.12 <> 793 57
794 43 -63.290000 49.276000 -8.492000 57 Q M 2 "GLN " " H " 1 0 0 1 53.86 <> 794 57
795 41 -62.877000 46.652000 -9.670000 57 Q M 2 "GLN " " HA " 1 0 0 1 52.94 <> 795 57
796 41 -60.581000 48.428000 -8.986000 57 Q M 2 "GLN " " HB3" 1 0 0 1 52.85 <> 796 57
797 41 -61.751000 49.121000 -10.032000 57 Q M 2 "GLN " " HB2" 1 0 0 1 52.85 <> 797 57
798 41 -61.503000 46.904000 -11.436000 57 Q M 2 "GLN " " HG3" 1 0 0 1 52.07 <> 798 57
799 41 -60.032000 46.683000 -10.519000 57 Q M 2 "GLN " " HG2" 1 0 0 1 52.07 <> 799 57
800 43 -60.305000 49.994000 -13.035000 57 Q M 2 "GLN " "HE22" 1 0 0 1 44.12 <> 800 57
801 43 -61.725000 49.395000 -12.208000 57 Q M 2 "GLN " "HE21" 1 0 0 1 44.12 <> 801 57
802 25 -61.611000 45.352000 -7.955000 58 K M 2 "LYS " " N " 7 0 1 1 53.27 <> 802 58
803 3 -61.295000 44.424000 -6.860000 58 K M 2 "LYS " " CA " 6 0 1 1 53.55 <> 803 58
804 2 -60.015000 44.739000 -6.070000 58 K M 2 "LYS " " C " 6 0 1 1 52.54 <> 804 58
805 15 -60.047000 44.791000 -4.839000 58 K M 2 "LYS " " O " 8 0 1 1 51.82 <> 805 58
806 3 -61.260000 42.984000 -7.394000 58 K M 2 "LYS " " CB " 6 0 1 1 54.35 <> 806 58
807 3 -61.567000 41.899000 -6.361000 58 K M 2 "LYS " " CG " 6 0 1 1 59.6 <> 807 58
808 3 -60.301000 41.272000 -5.790000 58 K M 2 "LYS " " CD " 6 0 1 1 61.6 <> 808 58
809 3 -60.635000 40.069000 -4.917000 58 K M 2 "LYS " " CE " 6 0 1 1 141.65 <> 809 58
810 32 -59.452000 39.585000 -4.147000 58 K M 2 "LYS " " NZ " 7 1 1 1 56.57 <> 810 58
811 43 -61.602000 44.968000 -8.889000 58 K M 2 "LYS " " H " 1 0 1 1 53.27 <> 811 58
812 41 -62.123000 44.478000 -6.153000 58 K M 2 "LYS " " HA " 1 0 1 1 53.55 <> 812 58
813 41 -60.286000 42.789000 -7.842000 58 K M 2 "LYS " " HB3" 1 0 1 1 54.35 <> 813 58
814 41 -61.954000 42.893000 -8.230000 58 K M 2 "LYS " " HB2" 1 0 1 1 54.35 <> 814 58
815 41 -62.180000 41.124000 -6.821000 58 K M 2 "LYS " " HG3" 1 0 1 1 59.6 <> 815 58
816 41 -62.157000 42.327000 -5.550000 58 K M 2 "LYS " " HG2" 1 0 1 1 59.6 <> 816 58
817 41 -59.765000 42.013000 -5.197000 58 K M 2 "LYS " " HD3" 1 0 1 1 61.6 <> 817 58
818 41 -59.651000 40.958000 -6.607000 58 K M 2 "LYS " " HD2" 1 0 1 1 61.6 <> 818 58
819 41 -61.015000 39.262000 -5.543000 58 K M 2 "LYS " " HE3" 1 0 1 1 141.65 <> 819 58
820 41 -61.434000 40.334000 -4.225000 58 K M 2 "LYS " " HE2" 1 0 1 1 141.65 <> 820 58
821 44 -59.115000 40.324000 -3.547000 58 K M 2 "LYS " " HZ1" 1 0 1 1 56.57 <> 821 58
822 44 -59.718000 38.790000 -3.584000 58 K M 2 "LYS " " HZ2" 1 0 1 1 56.57 <> 822 58
823 44 -58.721000 39.313000 -4.788000 58 K M 2 "LYS " " HZ3" 1 0 1 1 56.57 <> 823 58
824 25 -58.903000 44.945000 -6.776000 59 W M 2 "TRP " " N " 7 0 1 1 51.79 <> 824 59
825 3 -57.605000 45.229000 -6.146000 59 W M 2 "TRP " " CA " 6 0 1 1 50.11 <> 825 59
826 2 -57.625000 46.511000 -5.304000 59 W M 2 "TRP " " C " 6 0 1 1 49.23 <> 826 59
827 15 -56.828000 46.662000 -4.374000 59 W M 2 "TRP " " O " 8 0 1 1 48.5 <> 827 59
828 3 -56.503000 45.321000 -7.206000 59 W M 2 "TRP " " CB " 6 0 1 1 50.25 <> 828 59
829 2 -56.633000 46.532000 -8.087000 59 W M 2 "TRP " " CG " 6 0 1 1 51.79 <> 829 59
830 2 -57.409000 46.654000 -9.204000 59 W M 2 "TRP " " CD1" 6 0 1 1 35.04 <> 830 59
831 2 -55.967000 47.791000 -7.922000 59 W M 2 "TRP " " CD2" 6 0 1 1 16.7 <> 831 59
832 25 -57.269000 47.909000 -9.745000 59 W M 2 "TRP " " NE1" 7 0 1 1 43.65 <> 832 59
833 2 -56.390000 48.627000 -8.979000 59 W M 2 "TRP " " CE2" 6 0 1 1 23.54 <> 833 59
834 2 -55.055000 48.293000 -6.984000 59 W M 2 "TRP " " CE3" 6 0 1 1 28.56 <> 834 59
835 2 -55.931000 49.939000 -9.125000 59 W M 2 "TRP " " CZ2" 6 0 1 1 28.07 <> 835 59
836 2 -54.599000 49.598000 -7.130000 59 W M 2 "TRP " " CZ3" 6 0 1 1 43.94 <> 836 59
837 2 -55.039000 50.405000 -8.193000 59 W M 2 "TRP " " CH2" 6 0 1 1 27.64 <> 837 59
838 43 -58.931000 44.909000 -7.785000 59 W M 2 "TRP " " H " 1 0 1 1 51.79 <> 838 59
839 41 -57.365000 44.397000 -5.484000 59 W M 2 "TRP " " HA " 1 0 1 1 50.11 <> 839 59
840 41 -56.517000 44.422000 -7.822000 59 W M 2 "TRP " " HB3" 1 0 1 1 50.25 <> 840 59
841 41 -55.529000 45.333000 -6.716000 59 W M 2 "TRP " " HB2" 1 0 1 1 50.25 <> 841 59
842 41 -58.013000 45.822000 -9.535000 59 W M 2 "TRP " " HD1" 1 0 1 1 35.04 <> 842 59
843 43 -57.781000 48.159000 -10.579000 59 W M 2 "TRP " " HE1" 1 0 1 1 43.65 <> 843 59
844 41 -54.721000 47.669000 -6.168000 59 W M 2 "TRP " " HE3" 1 0 1 1 28.56 <> 844 59
845 41 -56.279000 50.545000 -9.949000 59 W M 2 "TRP " " HZ2" 1 0 1 1 28.07 <> 845 59
846 41 -53.895000 50.007000 -6.420000 59 W M 2 "TRP " " HZ3" 1 0 1 1 43.94 <> 846 59
847 41 -54.659000 51.413000 -8.266000 59 W M 2 "TRP " " HH2" 1 0 1 1 27.64 <> 847 59
848 25 -58.538000 47.422000 -5.643000 60 V M 2 "VAL " " N " 7 0 1 1 48.1 <> 848 60
849 3 -58.728000 48.664000 -4.900000 60 V M 2 "VAL " " CA " 6 0 1 1 46.58 <> 849 60
850 2 -59.324000 48.379000 -3.523000 60 V M 2 "VAL " " C " 6 0 1 1 47.68 <> 850 60
851 15 -58.876000 48.952000 -2.529000 60 V M 2 "VAL " " O " 8 0 1 1 48.19 <> 851 60
852 3 -59.618000 49.663000 -5.674000 60 V M 2 "VAL " " CB " 6 0 1 1 46.18 <> 852 60
853 3 -59.779000 50.961000 -4.899000 60 V M 2 "VAL " " CG1" 6 0 1 1 40.12 <> 853 60
854 3 -59.029000 49.940000 -7.045000 60 V M 2 "VAL " " CG2" 6 0 1 1 43.67 <> 854 60
855 43 -59.134000 47.266000 -6.444000 60 V M 2 "VAL " " H " 1 0 1 1 48.1 <> 855 60
856 41 -57.750000 49.124000 -4.756000 60 V M 2 "VAL " " HA " 1 0 1 1 46.58 <> 856 60
857 41 -60.603000 49.216000 -5.806000 60 V M 2 "VAL " " HB " 1 0 1 1 46.18 <> 857 60
858 41 -60.409000 51.647000 -5.465000 60 V M 2 "VAL " "HG11" 1 0 1 1 40.12 <> 858 60
859 41 -60.243000 50.754000 -3.935000 60 V M 2 "VAL " "HG12" 1 0 1 1 40.12 <> 859 60
860 41 -58.800000 51.414000 -4.741000 60 V M 2 "VAL " "HG13" 1 0 1 1 40.12 <> 860 60
861 41 -59.666000 50.645000 -7.579000 60 V M 2 "VAL " "HG21" 1 0 1 1 43.67 <> 861 60
862 41 -58.031000 50.365000 -6.933000 60 V M 2 "VAL " "HG22" 1 0 1 1 43.67 <> 862 60
863 41 -58.966000 49.009000 -7.609000 60 V M 2 "VAL " "HG23" 1 0 1 1 43.67 <> 863 60
864 25 -60.327000 47.499000 -3.474000 61 Q M 2 "GLN " " N " 7 0 1 1 48.22 <> 864 61
865 3 -60.944000 47.083000 -2.209000 61 Q M 2 "GLN " " CA " 6 0 1 1 49.07 <> 865 61
866 2 -59.894000 46.490000 -1.276000 61 Q M 2 "GLN " " C " 6 0 1 1 50.09 <> 866 61
867 15 -59.777000 46.905000 -0.123000 61 Q M 2 "GLN " " O " 8 0 1 1 50.11 <> 867 61
868 3 -62.060000 46.049000 -2.423000 61 Q M 2 "GLN " " CB " 6 0 1 1 48.54 <> 868 61
869 3 -62.801000 46.122000 -3.755000 61 Q M 2 "GLN " " CG " 6 0 1 1 53.14 <> 869 61
870 2 -63.939000 47.126000 -3.775000 61 Q M 2 "GLN " " CD " 6 0 1 1 144.84 <> 870 61
871 15 -63.991000 48.059000 -2.970000 61 Q M 2 "GLN " " OE1" 8 0 1 1 35.27 <> 871 61
872 25 -64.866000 46.936000 -4.709000 61 Q M 2 "GLN " " NE2" 7 0 1 1 53.04 <> 872 61
873 43 -60.687000 47.095000 -4.327000 61 Q M 2 "GLN " " H " 1 0 1 1 48.22 <> 873 61
874 41 -61.375000 47.962000 -1.730000 61 Q M 2 "GLN " " HA " 1 0 1 1 49.07 <> 874 61
875 41 -62.779000 46.123000 -1.607000 61 Q M 2 "GLN " " HB3" 1 0 1 1 48.54 <> 875 61
876 41 -61.651000 45.047000 -2.294000 61 Q M 2 "GLN " " HB2" 1 0 1 1 48.54 <> 876 61
877 41 -63.186000 45.134000 -4.009000 61 Q M 2 "GLN " " HG3" 1 0 1 1 53.14 <> 877 61
878 41 -62.094000 46.361000 -4.549000 61 Q M 2 "GLN " " HG2" 1 0 1 1 53.14 <> 878 61
879 43 -65.651000 47.568000 -4.778000 61 Q M 2 "GLN " "HE22" 1 0 1 1 53.04 <> 879 61
880 43 -64.785000 46.160000 -5.350000 61 Q M 2 "GLN " "HE21" 1 0 1 1 53.04 <> 880 61
881 25 -59.137000 45.521000 -1.792000 62 D M 2 "ASP " " N " 7 0 1 1 51.8 <> 881 62
882 3 -58.131000 44.794000 -1.010000 62 D M 2 "ASP " " CA " 6 0 1 1 54.28 <> 882 62
883 2 -56.962000 45.667000 -0.569000 62 D M 2 "ASP " " C " 6 0 1 1 54.55 <> 883 62
884 15 -56.375000 45.433000 0.488000 62 D M 2 "ASP " " O " 8 0 1 1 55.23 <> 884 62
885 3 -57.609000 43.582000 -1.787000 62 D M 2 "ASP " " CB " 6 0 1 1 55.11 <> 885 62
886 2 -58.649000 42.489000 -1.934000 62 D M 2 "ASP " " CG " 6 0 1 1 57.82 <> 886 62
887 15 -59.059000 41.899000 -0.910000 62 D M 2 "ASP " " OD1" 8 0 1 1 101.64 <> 887 62
888 18 -59.058000 42.219000 -3.079000 62 D M 2 "ASP " " OD2" 8 -1 1 1 117.24 <> 888 62
889 43 -59.244000 45.259000 -2.762000 62 D M 2 "ASP " " H " 1 0 1 1 51.8 <> 889 62
890 41 -58.621000 44.421000 -0.110000 62 D M 2 "ASP " " HA " 1 0 1 1 54.28 <> 890 62
891 41 -56.730000 43.180000 -1.283000 62 D M 2 "ASP " " HB3" 1 0 1 1 55.11 <> 891 62
892 41 -57.276000 43.901000 -2.775000 62 D M 2 "ASP " " HB2" 1 0 1 1 55.11 <> 892 62
893 25 -56.631000 46.668000 -1.382000 63 S M 2 "SER " " N " 7 0 1 1 54.27 <> 893 63
894 3 -55.616000 47.647000 -1.011000 63 S M 2 "SER " " CA " 6 0 1 1 53.67 <> 894 63
895 2 -56.128000 48.516000 0.129000 63 S M 2 "SER " " C " 6 0 1 1 53.02 <> 895 63
896 15 -55.394000 48.791000 1.078000 63 S M 2 "SER " " O " 8 0 1 1 52.91 <> 896 63
897 3 -55.218000 48.508000 -2.212000 63 S M 2 "SER " " CB " 6 0 1 1 53.92 <> 897 63
898 16 -54.591000 47.724000 -3.214000 63 S M 2 "SER " " OG " 8 0 1 1 51.44 <> 898 63
899 43 -57.086000 46.762000 -2.279000 63 S M 2 "SER " " H " 1 0 1 1 54.27 <> 899 63
900 41 -54.732000 47.111000 -0.664000 63 S M 2 "SER " " HA " 1 0 1 1 53.67 <> 900 63
901 41 -54.536000 49.293000 -1.886000 63 S M 2 "SER " " HB3" 1 0 1 1 53.92 <> 901 63
902 41 -56.106000 48.985000 -2.627000 63 S M 2 "SER " " HB2" 1 0 1 1 53.92 <> 902 63
903 42 -55.260000 47.269000 -3.730000 63 S M 2 "SER " " HG " 1 0 1 1 51.44 <> 903 63
904 25 -57.387000 48.942000 0.025000 64 M M 2 "MET " " N " 7 0 1 1 53.05 <> 904 64
905 3 -58.022000 49.791000 1.034000 64 M M 2 "MET " " CA " 6 0 1 1 53.07 <> 905 64
906 2 -57.994000 49.189000 2.435000 64 M M 2 "MET " " C " 6 0 1 1 54.66 <> 906 64
907 15 -57.525000 49.833000 3.373000 64 M M 2 "MET " " O " 8 0 1 1 55.69 <> 907 64
908 3 -59.457000 50.141000 0.638000 64 M M 2 "MET " " CB " 6 0 1 1 52.62 <> 908 64
909 3 -59.563000 51.285000 -0.350000 64 M M 2 "MET " " CG " 6 0 1 1 49.82 <> 909 64
910 49 -61.251000 51.878000 -0.558000 64 M M 2 "MET " " SD " 16 0 1 1 48.73 <> 910 64
911 3 -61.989000 50.555000 -1.511000 64 M M 2 "MET " " CE " 6 0 1 1 58.99 <> 911 64
912 43 -57.944000 48.680000 -0.775000 64 M M 2 "MET " " H " 1 0 1 1 53.05 <> 912 64
913 41 -57.460000 50.724000 1.072000 64 M M 2 "MET " " HA " 1 0 1 1 53.07 <> 913 64
914 41 -60.030000 50.382000 1.533000 64 M M 2 "MET " " HB3" 1 0 1 1 52.62 <> 914 64
915 41 -59.943000 49.258000 0.222000 64 M M 2 "MET " " HB2" 1 0 1 1 52.62 <> 915 64
916 41 -59.169000 50.967000 -1.315000 64 M M 2 "MET " " HG3" 1 0 1 1 49.82 <> 916 64
917 41 -58.928000 52.108000 -0.021000 64 M M 2 "MET " " HG2" 1 0 1 1 49.82 <> 917 64
918 41 -63.034000 50.790000 -1.712000 64 M M 2 "MET " " HE1" 1 0 1 1 58.99 <> 918 64
919 41 -61.454000 50.444000 -2.454000 64 M M 2 "MET " " HE2" 1 0 1 1 58.99 <> 919 64
920 41 -61.928000 49.624000 -0.948000 64 M M 2 "MET " " HE3" 1 0 1 1 58.99 <> 920 64
921 25 -58.489000 47.961000 2.582000 65 D M 2 "ASP " " N " 7 0 1 1 55.79 <> 921 65
922 3 -58.508000 47.320000 3.902000 65 D M 2 "ASP " " CA " 6 0 1 1 57.41 <> 922 65
923 2 -57.166000 46.724000 4.347000 65 D M 2 "ASP " " C " 6 0 1 1 57.92 <> 923 65
924 15 -56.992000 46.423000 5.531000 65 D M 2 "ASP " " O " 8 0 1 1 59.11 <> 924 65
925 3 -59.675000 46.325000 4.076000 65 D M 2 "ASP " " CB " 6 0 1 1 57.7 <> 925 65
926 2 -60.129000 45.702000 2.773000 65 D M 2 "ASP " " CG " 6 0 1 1 59.17 <> 926 65
927 15 -59.334000 44.967000 2.151000 65 D M 2 "ASP " " OD1" 8 0 1 1 92.11 <> 927 65
928 18 -61.286000 45.951000 2.371000 65 D M 2 "ASP " " OD2" 8 -1 1 1 70.57 <> 928 65
929 43 -58.855000 47.465000 1.782000 65 D M 2 "ASP " " H " 1 0 1 1 55.79 <> 929 65
930 41 -58.711000 48.125000 4.608000 65 D M 2 "ASP " " HA " 1 0 1 1 57.41 <> 930 65
931 41 -60.517000 46.833000 4.547000 65 D M 2 "ASP " " HB3" 1 0 1 1 57.7 <> 931 65
932 41 -59.379000 45.538000 4.770000 65 D M 2 "ASP " " HB2" 1 0 1 1 57.7 <> 932 65
933 25 -56.225000 46.552000 3.418000 66 H M 2 "HIS " " N " 7 0 1 1 57.65 <> 933 66
934 3 -54.848000 46.247000 3.813000 66 H M 2 "HIS " " CA " 6 0 1 1 57.37 <> 934 66
935 2 -54.267000 47.476000 4.505000 66 H M 2 "HIS " " C " 6 0 1 1 57.91 <> 935 66
936 15 -53.611000 47.366000 5.546000 66 H M 2 "HIS " " O " 8 0 1 1 58.57 <> 936 66
937 3 -53.964000 45.844000 2.627000 66 H M 2 "HIS " " CB " 6 0 1 1 56.69 <> 937 66
938 2 -52.511000 45.723000 2.980000 66 H M 2 "HIS " " CG " 6 0 1 1 56.68 <> 938 66
939 25 -51.631000 46.782000 2.891000 66 H M 2 "HIS " " ND1" 7 0 1 1 64.84 <> 939 66
940 2 -51.786000 44.670000 3.424000 66 H M 2 "HIS " " CD2" 6 0 1 1 64.2 <> 940 66
941 2 -50.427000 46.385000 3.264000 66 H M 2 "HIS " " CE1" 6 0 1 1 56.01 <> 941 66
942 25 -50.494000 45.108000 3.593000 66 H M 2 "HIS " " NE2" 7 0 1 1 66.08 <> 942 66
943 43 -56.461000 46.632000 2.439000 66 H M 2 "HIS " " H " 1 0 1 1 57.65 <> 943 66
944 41 -54.867000 45.424000 4.527000 66 H M 2 "HIS " " HA " 1 0 1 1 57.37 <> 944 66
945 41 -54.082000 46.572000 1.824000 66 H M 2 "HIS " " HB3" 1 0 1 1 56.69 <> 945 66
946 41 -54.317000 44.897000 2.218000 66 H M 2 "HIS " " HB2" 1 0 1 1 56.69 <> 946 66
947 43 -51.957000 47.685000 2.577000 66 H M 2 "HIS " " HD1" 1 0 1 1 64.84 <> 947 66
948 41 -52.262000 43.712000 3.576000 66 H M 2 "HIS " " HD2" 1 0 1 1 64.2 <> 948 66
949 41 -49.603000 47.083000 3.258000 66 H M 2 "HIS " " HE1" 1 0 1 1 56.01 <> 949 66
950 25 -54.517000 48.642000 3.910000 67 L M 2 "LEU " " N " 7 0 1 1 57.6 <> 950 67
951 3 -54.058000 49.921000 4.445000 67 L M 2 "LEU " " CA " 6 0 1 1 57.03 <> 951 67
952 2 -54.656000 50.238000 5.815000 67 L M 2 "LEU " " C " 6 0 1 1 57.15 <> 952 67
953 15 -53.992000 50.845000 6.658000 67 L M 2 "LEU " " O " 8 0 1 1 56.92 <> 953 67
954 3 -54.364000 51.051000 3.458000 67 L M 2 "LEU " " CB " 6 0 1 1 56.62 <> 954 67
955 3 -53.433000 51.173000 2.251000 67 L M 2 "LEU " " CG " 6 0 1 1 51.96 <> 955 67
956 3 -54.071000 52.026000 1.170000 67 L M 2 "LEU " " CD1" 6 0 1 1 79.88 <> 956 67
957 3 -52.077000 51.734000 2.659000 67 L M 2 "LEU " " CD2" 6 0 1 1 19.82 <> 957 67
958 43 -55.046000 48.667000 3.050000 67 L M 2 "LEU " " H " 1 0 1 1 57.6 <> 958 67
959 41 -52.976000 49.864000 4.560000 67 L M 2 "LEU " " HA " 1 0 1 1 57.03 <> 959 67
960 41 -54.384000 52.000000 3.994000 67 L M 2 "LEU " " HB3" 1 0 1 1 56.62 <> 960 67
961 41 -55.392000 50.955000 3.110000 67 L M 2 "LEU " " HB2" 1 0 1 1 56.62 <> 961 67
962 41 -53.276000 50.174000 1.844000 67 L M 2 "LEU " " HG " 1 0 1 1 51.96 <> 962 67
963 41 -53.394000 52.101000 0.319000 67 L M 2 "LEU " "HD11" 1 0 1 1 79.88 <> 963 67
964 41 -55.007000 51.568000 0.850000 67 L M 2 "LEU " "HD12" 1 0 1 1 79.88 <> 964 67
965 41 -54.271000 53.022000 1.564000 67 L M 2 "LEU " "HD13" 1 0 1 1 79.88 <> 965 67
966 41 -51.436000 51.810000 1.781000 67 L M 2 "LEU " "HD21" 1 0 1 1 19.82 <> 966 67
967 41 -52.210000 52.723000 3.098000 67 L M 2 "LEU " "HD22" 1 0 1 1 19.82 <> 967 67
968 41 -51.614000 51.071000 3.390000 67 L M 2 "LEU " "HD23" 1 0 1 1 19.82 <> 968 67
969 25 -55.905000 49.824000 6.025000 68 D M 2 "ASP " " N " 7 0 1 1 57.15 <> 969 68
970 3 -56.591000 50.003000 7.304000 68 D M 2 "ASP " " CA " 6 0 1 1 57.32 <> 970 68
971 2 -55.897000 49.256000 8.447000 68 D M 2 "ASP " " C " 6 0 1 1 58.05 <> 971 68
972 15 -55.570000 49.858000 9.474000 68 D M 2 "ASP " " O " 8 0 1 1 58.51 <> 972 68
973 3 -58.058000 49.566000 7.195000 68 D M 2 "ASP " " CB " 6 0 1 1 56.73 <> 973 68
974 2 -58.874000 50.460000 6.274000 68 D M 2 "ASP " " CG " 6 0 1 1 56 <> 974 68
975 15 -58.578000 51.672000 6.182000 68 D M 2 "ASP " " OD1" 8 0 1 1 45.76 <> 975 68
976 18 -59.819000 49.946000 5.638000 68 D M 2 "ASP " " OD2" 8 -1 1 1 48.94 <> 976 68
977 43 -56.416000 49.366000 5.284000 68 D M 2 "ASP " " H " 1 0 1 1 57.15 <> 977 68
978 41 -56.577000 51.066000 7.544000 68 D M 2 "ASP " " HA " 1 0 1 1 57.32 <> 978 68
979 41 -58.509000 49.561000 8.187000 68 D M 2 "ASP " " HB3" 1 0 1 1 56.73 <> 979 68
980 41 -58.104000 48.538000 6.836000 68 D M 2 "ASP " " HB2" 1 0 1 1 56.73 <> 980 68
981 25 -55.677000 47.953000 8.259000 69 K M 2 "LYS " " N " 7 0 0 1 57.86 <> 981 69
982 3 -55.074000 47.083000 9.277000 69 K M 2 "LYS " " CA " 6 0 0 1 57.44 <> 982 69
983 2 -53.713000 47.574000 9.775000 69 K M 2 "LYS " " C " 6 0 0 1 56.95 <> 983 69
984 15 -53.003000 48.298000 9.076000 69 K M 2 "LYS " " O " 8 0 0 1 56.62 <> 984 69
985 3 -54.963000 45.653000 8.756000 69 K M 2 "LYS " " CB " 6 0 0 1 <> <> 985 69
986 3 -54.478000 44.658000 9.814000 69 K M 2 "LYS " " CG " 6 0 0 1 <> <> 986 69
987 3 -54.494000 43.192000 9.363000 69 K M 2 "LYS " " CD " 6 0 0 1 <> <> 987 69
988 3 -53.403000 42.805000 8.356000 69 K M 2 "LYS " " CE " 6 0 0 1 <> <> 988 69
989 32 -52.056000 42.766000 8.952000 69 K M 2 "LYS " " NZ " 7 1 0 1 <> <> 989 69
990 43 -55.929000 47.520000 7.382000 69 K M 2 "LYS " " H " 1 0 0 1 57.86 <> 990 69
991 41 -55.748000 47.067000 10.133000 69 K M 2 "LYS " " HA " 1 0 0 1 57.44 <> 991 69
992 41 -53.378000 47.275000 10.757000 69 K M 2 "LYS " " HXT" 1 0 0 1 56.95 <> 992 69
993 41 -55.940000 45.315000 8.411000 69 K M 2 "LYS " " HB2" 1 0 0 1 <> <> 993 69
994 41 -54.256000 45.622000 7.927000 69 K M 2 "LYS " " HB3" 1 0 0 1 <> <> 994 69
995 41 -53.450000 44.893000 10.090000 69 K M 2 "LYS " " HG2" 1 0 0 1 <> <> 995 69
996 41 -55.115000 44.725000 10.696000 69 K M 2 "LYS " " HG3" 1 0 0 1 <> <> 996 69
997 41 -54.361000 42.543000 10.228000 69 K M 2 "LYS " " HD2" 1 0 0 1 <> <> 997 69
998 41 -55.449000 42.969000 8.886000 69 K M 2 "LYS " " HD3" 1 0 0 1 <> <> 998 69
999 41 -53.614000 41.814000 7.953000 69 K M 2 "LYS " " HE2" 1 0 0 1 <> <> 999 69
1000 41 -53.384000 43.530000 7.543000 69 K M 2 "LYS " " HE3" 1 0 0 1 <> <> 1000 69
1001 44 -51.760000 43.706000 9.176000 69 K M 2 "LYS " " HZ1" 1 0 0 1 <> <> 1001 69
1002 44 -52.076000 42.210000 9.794000 69 K M 2 "LYS " " HZ2" 1 0 0 1 <> <> 1002 69
1003 44 -51.408000 42.358000 8.294000 69 K M 2 "LYS " " HZ3" 1 0 0 1 <> <> 1003 69
:::
}
m_bond[1013] {
# First column is bond index #
i_m_from
i_m_to
i_m_order
:::
1 1 2 1
2 1 8 1
3 1 9 1
4 2 3 1
5 2 5 1
6 2 10 1
7 3 4 2
8 3 18 1
9 5 6 1
10 5 7 1
11 5 11 1
12 6 12 1
13 6 13 1
14 6 14 1
15 7 15 1
16 7 16 1
17 7 17 1
18 18 19 1
19 18 25 1
20 19 20 1
21 19 22 1
22 19 26 1
23 20 21 2
24 20 32 1
25 22 23 1
26 22 24 1
27 22 27 1
28 23 28 1
29 24 29 1
30 24 30 1
31 24 31 1
32 32 33 1
33 32 38 1
34 33 34 1
35 33 36 1
36 33 39 1
37 34 35 2
38 34 42 1
39 36 37 1
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42 42 43 1
43 42 48 1
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46 43 49 1
47 44 45 2
48 44 52 1
49 46 47 1
50 46 50 1
51 46 51 1
52 52 53 1
53 52 64 1
54 53 54 1
55 53 56 1
56 53 65 1
57 54 55 2
58 54 73 1
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205 201 204 1
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214 211 218 1
215 212 213 1
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219 213 227 1
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223 216 221 1
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225 216 223 1
226 217 224 1
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230 227 236 1
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233 228 237 1
234 229 230 2
235 229 244 1
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238 231 239 1
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240 232 240 1
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243 233 235 1
244 235 242 1
245 235 243 1
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247 244 255 1
248 245 246 1
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250 245 256 1
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252 246 268 1
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255 248 258 1
256 249 250 1
257 249 259 1
258 249 260 1
259 250 251 1
260 250 261 1
261 250 262 1
262 251 252 1
263 251 263 1
264 252 253 1
265 252 254 2
266 253 264 1
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268 254 266 1
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270 268 269 1
271 268 276 1
272 269 270 1
273 269 272 1
274 269 277 1
275 270 271 2
276 270 287 1
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281 273 275 1
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285 274 283 1
286 275 284 1
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290 287 292 1
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292 288 291 1
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304 299 300 2
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321 313 315 1
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323 314 324 1
324 315 317 2
325 315 325 1
326 316 318 2
327 316 326 1
328 317 318 1
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331 319 328 1
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333 329 340 1
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345 335 336 1
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352 338 349 1
353 338 350 1
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355 339 352 1
356 353 354 1
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360 354 365 1
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362 355 377 1
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380 377 378 1
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383 378 381 1
384 378 386 1
385 379 380 2
386 379 396 1
387 381 382 1
388 381 383 1
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393 383 390 1
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403 397 404 1
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405 398 410 1
406 400 401 1
407 400 402 1
408 400 405 1
409 401 406 1
410 402 407 1
411 402 408 1
412 402 409 1
413 410 411 1
414 410 416 1
415 411 412 1
416 411 414 1
417 411 417 1
418 412 413 2
419 412 421 1
420 414 415 1
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422 414 419 1
423 415 420 1
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812 803 812 1
813 804 805 2
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900 886 888 1
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906 895 896 2
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912 904 905 1
913 904 912 1
914 905 906 1
915 905 908 1
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918 906 921 1
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920 908 914 1
921 908 915 1
922 909 910 1
923 909 916 1
924 909 917 1
925 910 911 1
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930 921 929 1
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932 922 925 1
933 922 930 1
934 923 924 2
935 923 933 1
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937 925 931 1
938 925 932 1
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940 926 928 1
941 933 934 1
942 933 943 1
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944 934 937 1
945 934 944 1
946 935 936 2
947 935 950 1
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950 937 946 1
951 938 939 1
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953 939 941 1
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962 951 954 1
963 951 959 1
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965 952 969 1
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967 954 960 1
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971 955 962 1
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978 969 970 1
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987 973 980 1
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993 982 985 1
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996 983 992 1
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999 985 994 1
1000 986 987 1
1001 986 995 1
1002 986 996 1
1003 987 988 1
1004 987 997 1
1005 987 998 1
1006 988 989 1
1007 988 999 1
1008 988 1000 1
1009 989 1001 1
1010 989 1002 1
1011 989 1003 1
1012 37 459 1
1013 47 722 1
:::
}
m_PDB_SEQRES[1] {
s_pdb_chain_id
s_pdb_SEQRES
:::
1 M "GLN PRO ASP ALA ILE ASN ALA ALA VAL THR CYS CYS TYR ASN PHE THR ASN ARG LYS ILE SER VAL GLN ARG LEU ALA SER TYR ARG ARG ILE THR SER SER LYS CYS PRO LYS GLU ALA VAL ILE PHE LYS THR ILE VAL ALA LYS GLU ILE CYS ALA ASP PRO LYS GLN LYS TRP VAL GLN ASP SER MET ASP HIS LEU ASP LYS GLN THR GLN THR PRO LYS THR "
:::
}
}